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GREEN PROCESS DESIGN AND
SUSTAINABLE CHEMICAL
MANUFACTURING
Proceedings of 1st International Conference on Technological
Innovations in Chemical Engineering Towards Sustainability

TIChSCON 2025

21- 22 April, 2025

Edited by
Dr. R. Govindarasu
Dr. R. Rajesh Nithyanandam
Dr. S. Rajasekar
Dr. Philip Bernstein Saynik

Bharti Publications
New Delhi- 110002 (INDIA)
Copyright © 2025, Sri Venkateswara College of Engineering, Tamilnadu

Title: Green Process Design and Sustainable Chemical Manufacturing (Proceedings of 1st International
Conference on Technological Innovations in Chemical Engineering Towards Sustainability)

Editors: D
 r. R. Govindarasu, Dr. R. Rajesh Nithyanandam, Dr. S. Rajasekar, Dr. Philip Bernstein Saynik

All rights reserved. No part of this publication may be reproduced or transmitted, in any from or by any
means, without permission. Any person who does any unauthorised act in relation to this publication
may be liable to criminal prosecution and civil claims for damages.

First Published, 2025

ISBN: 978-93-49566-57-6

Published by :

Bharti Publications

4819/24, 2nd Floor, Mathur Lane

Ansari Road, Darya Ganj, New Delhi-110002
Phone: 011-23247537, 46172797
E-mail : bhartipublications@[Link]
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Disclaimer: The views expressed in the book are the contributing author(s) and not necessarily of the
Publisher and Editors. Contributing Author(s) is themselves are responsible for any kind of plagiarism
found in their paper or chapter and any related issues with paper or chapter.
 ABOUT THE INSTITUTION

Sri Venkateswara College of Engineering (SVCE) is one of the pioneer technical institutions in Tamilnadu. The
College is situated on Chennai – Bengaluru National Highway. The college offers 12 UG programs and 10
PG programs. SVCE is an ISO 21001:2018 certified institution and Accredited by NAAC with A+ grade. For
more details visit: [Link].

DEPARTMENT OF CHEMICAL ENGINEERING

Department of Chemical Engineering came into existence in the year 1994 with the [Link] programme.
The Department has highly qualified and experienced faculty with modern infrastructural facilities. The
department is accredited by NBA and offers [Link], [Link] and Ph.D in Chemical Engineering.
The IIChE- SVCE Student chapter has been bestowed with best Student Chapter Award of Ambuja and
Pidilite Industries award for 15 times. The department organizes a National Level Technical Symposium
“PANSOPHY” every year and also organizes Short Term Training Programs / Faculty Development Programs
/ Seminars / Workshops / Guest Lectures periodically. Patents and research projects from various funding
agencies viz. BRNS, TNSCST, AICTE - MODROBS, AICTE - RPS, IIChE have been granted to our faculty and
students to enhance the research and technical skills.

ABOUT TICHSCON’25

TIChSCON’25 is an International Conference is designed to showcase and discuss cutting-edge technological

advancements in the field of Chemical Engineering from around the globe. Accepted full-length papers
which are presented at the conference, will be published as conference proceedings with an ISBN and DOI,
providing global recognition and accessibility.
 INTERNATIONAL ADVISORY BOARD MEMBERS

¾¾ Dr. Firnaaz Ahamed, Programme Director, Chemical Engineering, School of Engineering, Taylor’s University, Malaysia.
¾¾ Prof. Eldon R. Rene, Senior Lecturer, IHE Delft Institute for Water Education, The Netherlands.
¾¾ Prof. Bindhumadhavan Gururajan, Associate Director, Pharmaceutical Development, Novartis, Switzerland.
¾¾ Dr. Kaveh Shahbaz, Senior Lecturer, Chemical and Materials Engineering, University of Auckland, New Zealand.
¾¾ Dr. Rashmi Walvekar, Associate Researcher, University of Strathclyde, Glasgow, Scotland.
¾¾ Prof. Ramesh Kasi, Professor, Faculty of Science, University of Malaya, Malaysia.
¾¾ Dr. Padmesh TVN, Assistant Professor, Chemical Engineering, Mila University, Malaysia.
¾¾ Dr. Reddy Prasad D.M, Associate Professor, Chemical Engineering, Universiti Teknologi Brunei, Brunei.
¾¾ Dr. R. Senthil Kumar, Assistant Professor, Applied Biotechnology, University of Technology and Applied Sciences, Oman.
¾¾ Dr. Saravana Kumar K, Assistant Professor, Chemical Engineering, University of Technology and Applied Sciences, Oman.
¾¾ Dr. Santhi Pilli Raju, Assistant Professor, Chemical Engineering, Jazan University, Saudi Arabia.
¾¾ Dr. Nishant Pandya, Associate Professor, Chemical Engineering, Birla Institute of Technology and Sciences - Pilani, Dubai.
¾¾ Dr. R. Sethuraman, Lead Computational Fluid Dynamics Engineer, Danieli Corus, The Netherlands.

NATIONAL ADVISORY BOARD MEMBERS

¾¾ Prof. N. Balasubramanian, Director - Centre for Energy Storage Technology, Anna University, India.
¾¾ Prof. S. V. Satyanarayana, Director - Academic and Planning, Jawaharlal Nehru Technological University - Anantapur, India.
¾¾ Prof. T. K. Radhakrishnan, Former HOD/Chemical Engineering, National Institute of Technology - Tiruchirapalli, India.
¾¾ Prof. C. Karthikeyan, Dean, Faculty of Engineering & Technology, Annamalai University, India.
¾¾ Dr. M. Sivarajan, Senior Principal Scientist, Central Leather Research Institute (CLRI) - Chennai, India.
¾¾ Prof. G. Chandrasekhar, HOD/Chemical Engineering, Puducherry Technological University, India.
¾¾ Dr. Nitin Muralidharan, Assistant Professor, Chemical Engineering, Indian Institute of Technology - Madras, India.
¾¾ Dr. Swapnil Dharaskar, Former HOD, Chemical Engineering, Pandit Deendayal Energy University, India.
¾¾ Prof. M. Arivazhagan, HOD/Chemical Engineering, National Institute of Technology - Tiruchirapalli, India.
¾¾ Prof. R. Saravanan, HOD/Chemical Engineering, Faculty of Engineering & Technology, Annamalai University, India.
¾¾ Dr. S. Manigandan, Assistant Professor, Chemical Engineering, Indian Institute of Technology - Ropar, India.
¾¾ Prof. C. Ananda Babu, Former Associate Director, Indira Gandhi Center for Atomic Research, India.
 CONTENTS

1. Reversible COF – MOF integrated Coating for CO2 Adsorption 1 SDG9

Nithya Priya S, Ragunath M, Yauvani Maria Rosme S, [Link]

2. Aspen Hysys Process Simulator Simulation Studies on the Natural Gas Dehydration Process 5 SDG7
Eman Sarhan AL-Farsi, Alyaqeen Mohammed AL-Jahwari, Manar Hilal AL-Kharusi, Saravana Kumar
3. Reduction of Carbon Footprints in Production of Asphaltic Materials 12 SDG13
Bayan Abdulrahman Albalushi, Shaima Hakim Alkalbani, Badria Yaqoub Alnofali, Ghadeer
Nasser Alhikmani and Govindarajan Lakshmanarao
4. Hydrothermal Synthesis of CeO2/rGO nano Composite and its Characterization 19 SDG9
V. Ramanjaneyulu, T. Bala Narsaiah
5. Visible Light active N-doped CeO2 Nanopowder for the Removal of Reactive Black  24 SDG6
5 dye from Water under Solar Light Irradiation

Dhivyadharshini, Jaganathan Dharmaraja, Santhanam Sivakumar, Kaliyappan Sivaranjani

6. Recent Trends in Carboxy-Methyl Cellulose Based Hydrogel Films 30 SDG9

Keerthana Nalla, Jangala Hari Priya, Yadavalli Rajasri, K. Dharmalingam
7. Carboxymethyl Cellulose - Based Polymeric Blends for Food Packaging: A Review 33 SDG3
Grandhi Manognadevi, Kanuganti Akhila, Rajasri Yadavalli, Dharmalingam K
8. Extraction of Cinnamaldehyde from Cinnamon 41 SDG9
[Link], C.R. Pratheesh, [Link] lenin , [Link]
9. Machine Learning Models for Prediction of Thermal Performance of Heat Pipes:  46 SDG9
A Different Approach
Sushmitha Acharya, A V Samanvitha Bhat, Shabnam Siddiqui, Krishnamurthy Sainath
10. Studies on Antimicrobial, Anticancer Activity of Silver Nanoparticles Extracted from  50 SDG3
Pelargonium Radensplant
Tanmayi Bora, K. Rani,[Link], Geethika Gudapati, Tukaram Bai M
11. Exploring The Electrogenic Potential of Symbionts for the Sustainable Generation  56 SDG7
of Green Power
Akshara Babji Shyam Sundar, Nivashini Vindhya S, Karthigadevi Guruviah
12. Low-Temperature Mechanochemical Synthesis of the CaMg₂ Intermetallic Compound 63 SDG9
Ohood Ahmed Mosaed Awadalla, Bahman Nasiri Tabrizi, Eunice Phang Siew Wei,
Hendrik Simon Cornelis Metselaar
13. Biochar-Based Sorbents for Separating Heavy Metals from Waste Water 68 SDG6
Jelet S Jayan, Deepak kumar, S Kishore
14. CFD Analysis of Vortex Finder Wall Thickness on Short-Circuit Flow Reduction  72 SDG9
in Hydrocyclones
Amal Binu, Akshaya Babu, Riya Susan Thomas, Shaun Kurian Santhosh, Mona Mary Varghese
15. Energy Harvesting Using Piezoelectric Shoe 77 SDG7
D Jeshwanth, Praveen A, Mohith Mithra D, Bharathy G
16. Biodegradation of Phenol: Comparison Between Free and Immobilized Organism 80 SDG6
Sai Sruthi Sahu, V Sridevi, Charishma Adhikari, Sri Siva Sai Manda, Avinash Gollapalli
17. Development of Graphene-tin oxide Alloyed Quantum Dot Suspension with Enhanced  84 SDG9
Thermo-physical Properties for Thermal Management Application
Anagha Chandran, Nikita Saara Renji, Vishnuprasad S
18. E-waste Management and its Effects on Society and the Environmental Sustainability: A Review 89 SDG11
Santhi Raju Pilli
19. Modeling and Simulation of Process coupling in Sustainable Esterification by Pervaporation 93 SDG9
D S V J P Koteswari M , Suggala V. Satyanarayana
20. Bidirectional RNN Based Molecule Generation for RTK Targets Using AI for  98 SDG9
Sustainable g Discovery
J. Elakkiya, Premkumar
21. Solubility Modeling of Some Antibiotic Drugs in Supercritical Carbon Dioxide 106 SDG9
Udhayasri.T,Varsha.P, Chandrasekar Garlapati
22. Medicinal Leaves and its Health Benefits- A Critical Review 112 SDG3
Nivya Balasubramanian, R. Govindarasu
23. Comprehensive Review on Exploring the Medicinal Potential of Fruits 117 SDG3
K. Sugan, R. Govindarasu
24. Biosynthesis of Zinc Oxide and Silver Nanoparticles from Cassia Alata: A Comparative  122 SDG3
Study on Antimicrobial and Structural Properties
A.G. Gokulalakshmi, S. Sujatha
25. Design and Simulation of an Integrated Hybrid Cooling and Fire Suppression System for  128 SDG9
Battery Packs in Electric Vehicles
Prathipa C, Johin Gill G, Paul Durai K
26. Synthesis of Porous Activated Carbon from Fruit Waste Peel for Efficient Photo  134 SDG6
Degradation of Methylene Blue Dye
Priya R, Stanly S, Dhanalekshmi S B , Anandhavelu S and Nachiappan N
27. Contemporary review on Aspirin Synthesis: Challenges and Innovations 139 SDG9
Umesh V, Sanjana Shree P N, Tamil Adhavan, Vidhyalakshmi V, R Govindarasu
 1
Reversible COF – MOF integrated
Coating for CO2 Adsorption
Nithya Priya S, Ragunath M, Yauvani Maria Rosme S, [Link]
Department of Chemical Engineering, Sri Venkateswara College of Engineering, Sriperumbudur

ABSTRACT
Covalent Organic Frameworks (COFs) and Metal-Organic Frameworks (MOFs) have gained significant attention
for their high porosity, tunable structure, and potential for various applications, including gas storage, sensing,
and catalysis. The aim of this project is to develop a novel coating that integrates COFs and MOFs, leveraging their
unique properties for reversible and highly functional surface applications. The integrated COF-MOF coating is
designed to switch between active and inactive states based on environmental triggers such as temperature, pH,
or light exposure,enhancing its versatility for applications in gas capture, chemical separation, and catalysis. By
combining COFs and MOFs, the coating can achieve improved stability, functionality, and recyclability, opening
new pathways for sustainable material design.
This project will focus on synthesizing a reversible COF-MOF composite coating and testing its response to various
stimuli. Performance metrics will include reversibility, efficiency in active applications, and durability over multiple
cycle.
Keywords: COF-MOF Coating, CO2 Adsorption, Carbon Capture

INTRODUCTION
The global rise in CO₂ emissions has led to significant environmental and climate concerns, necessitating
the development of innovative technologies for carbon capture and sequestration. Metal-Organic
Frameworks (MOFs) and Covalent Organic Frameworks (COFs) have emerged as promising materials due
to their high porosity, tunable chemical structures, and selective adsorption properties. However, their
practical application in industrial-scale CO₂ capture has been limited by challenges related to structural
stability, regeneration, and integration into functional materials.
A key limitation in conventional carbon capture technologies is the requirement for high energy input for
regeneration, making them less sustainable. Our study aims to bridge this gap by integrating COFs and
MOFs into a reversible surface coating that can efficiently adsorb CO₂ and release it under controlled
 2 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

conditions. This approach offers a low-energy, reusable, and scalable solution for carbon capture, making
it suitable for diverse applications such as industrial emissions control, indoor air purification, and gas
separation processes.
The primary objectives of this research are:
1. To develop a COF-MOF integrated coating that can selectively capture CO₂ from the atmosphere or
industrial emissions.
2. To ensure ease of application and removal from surfaces, making it a practical solution for various
industries.
3. To explore the stability and reusability of the coating, ensuring long-term efficiency and cost-
effectiveness.
4. To investigate potential applications in gas separation, chemical catalysis, and environmental
remediation.
By addressing these research gaps, our study contributes to the advancement of functional coatings for
sustainable energy and environmental applications.
MATERIALS AND METHODS
Synthesis of COF (TpPa-1)
Method: Room-temperature stirring or microwave-assisted synthesis.
Materials:
¾¾ Terephthalaldehyde (5 mmol, ~0.67 g)
¾¾ p-Phenylenediamine (5 mmol, ~0.54 g)
¾¾ Acetic acid (6M, 3 mL) as catalyst and stabilizer
¾¾ Solvent: 50 mL ethanol-water mixture (3:1 ratio)
Procedure:
1. Dissolve Terephthalaldehyde and p-Phenylenediamine in the ethanol-water solvent.
2. Add acetic acid as a catalyst and stir at room temperature for 340 hours (or use an ultrasonic bath at
70°C for 72 hours).
3. Filter the precipitate, wash with ethanol, and dry under vacuum.
SYNTHESIS OF MOF (ZIF-8)
Method: Room-temperature mixing.
Materials:
¾¾ Zinc Nitrate Hexahydrate (5 mmol, ~1.49 g)
¾¾ 2-Methylimidazole (10 mmol, ~0.82 g)
¾¾ Solvent: 50 mL ethanol
Procedure:
1. Prepare separate solutions of zinc nitrate and 2-methylimidazole in ethanol.
2. Mix both solutions under continuous stirring at room temperature for 21 days.
3. Filter the resulting MOF, wash with ethanol, and dry under vacuum.
INTEGRATION OF COF-MOF IN COATING SOLUTION
Method: Dispersion in a polymeric binder.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 3

Materials:
COF (TpPa-1): 10 g
MOF (ZIF-8): 10 g
Polyvinyl Alcohol (PVA) 10% solution in water (50 mL)
Procedure:
1. Prepare a 10% PVA solution by dissolving in water.
2. Disperse the COF and MOF powders in PVA using an ultrasonic bath for 30 minutes.
3. Apply the mixture onto substrates using spray or dip-coating.
4. Dry at room temperature or mild heating (50-60°C).

Results and Discussion

CHARACTERIZATION OF COF-MOF COATING
To evaluate the performance of the COF-MOF integrated coating, various analytical techniques were
employed:
1. BET Surface Area Analysis:
¾¾ Used to determine porosity and specific surface area of COF-MOF frameworks.
¾¾ A higher BET surface area indicates enhanced capacity.
2. Langmuir Adsorption Isotherm Studies:
¾¾ Evaluates the adsorption capacity and interaction strength between CO₂ molecules and the
coating.
3. XRD Analysis (Crystallinity & Stability):
¾¾ Confirms the structural integrity of COF-MOF before and after CO₂ adsorption.
 4 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

4. FTIR Spectroscopy (Chemical Bonding):

¾¾ Identifies the functional groups present, ensuring stability and selectivity towards CO₂
adsorption.
5. TGA (Thermal Stability):
¾¾ Determines the decomposition temperature of the coating.
¾¾ A high decomposition temperature indicates greater thermal durability.
6. SEM-EDS (Surface Morphology & Composition):
¾¾ Analyzes the uniformity and dispersion of COF-MOF particles in the coating matrix.
7. Contact Angle Measurement (Hydrophobicity & Moisture Resistance):
¾¾ Evaluates the effect of humidity on coating efficiency.
COATING APPLICATION AND REMOVAL STUDIES
1. Adsorption Capacity:
¾¾ The COF-MOF coating demonstrated high CO₂ uptake, with adsorption selectivity towards CO₂
over N₂ and O₂.
2. Reversibility & Reusability:
¾¾ The coating was easily removed using ethanol or acetone, making it fully reusable for
multiple adsorption-desorption cycles.
3. Environmental Stability:
¾¾ The coating remained stable under varying pH, temperature, and humidity conditions.
CONCLUSION
This study successfully developed a reversible, reusable COF-MOF integrated coating for CO₂ capture.
The coating exhibited:
1. High selectivity towards CO₂ adsorption.
2. Easy application & removal, making it a practical solution for industrial and domestic use.
3. Stability across multiple adsorption-desorption cycles, ensuring long-term feasibility.
The results indicate potential applications in:
¾¾ Carbon capture from industrial emissions.
¾¾ Catalysis for chemical conversion.
¾¾ Gas separation and refining processes.
Future research will focus on scaling up the coating technology and optimizing its performance under
real-world conditions.
REFERENCES
1. Ba, B. H., Prins, C., & Prodhon, C. (2016). Models for optimization and performance evaluation of biomass supply
chains: An Operations Research perspective. Renewable Energy, 87, 977-989.
2. Petkovic, D., Petković, B., & Kuzman, B. (2023). Appraisal of information system for evaluation of kinetic parameters
of biomass oxidation. Biomass Conversion and Bio refinery, 13(2), 777-785.
3. Luo, J., Wang, J., Zhang, X., & Li, Y. (2021). Integration of metal-organic frameworks and covalent organic frameworks:
Design, synthesis, and applications. Matter, 4(3), 899-926.
4. Yuan, S., Qin, J. S., Xu, H., & Lollar, C. T. (2018). Metal–organic frameworks: Structures and functional applications.
Materials Today, 21(6), 636-653.
 2
Aspen Hysys Process Simulator Simulation Studies
on the Natural Gas Dehydration Process
Eman Sarhan AL-Farsi, Alyaqeen Mohammed AL-Jahwari, Manar Hilal AL-Kharusi, Saravana Kumar
College of Engineering and Technology, University of Technology and Applied Sciences, Suhar

ABSTRACT
Improving energy efficiency, limiting global warming, and lowering greenhouse gas emissions are key technological,
societal, and political priorities around the world. Energy is one of the most important resources in the chemical
process industry, since it is the primary source of heating and cooling raw materials and products used in the
manufacturing process. Chemical process simulation has been shown to be an excellent tool for conducting a
systematic and comprehensive study of energy systems to uncover paths for optimizing process efficiency in terms
of heat recovery. This research aims to study the application of computer simulations in a natural gas dehydration
process and exploring the energy and economics saving potentials of the process selected. The simulation result shows
that the cost of the heating utilities reduced 17.6% than actual requirement and the overall energy saving for the
process is 2.29%. The outcomes of the simulation the carbon emission was also reduced to 2.3% for the natural gas
process. The actual and targeted total utilities for the process are 1.752x105 kJ/h and 1.712x105 kJ/h. The energy flow
as per the targeted utilities clearly shows that energy reduction in the natural gas process. The outcomes of the study
evidence that TEG quality and improve the efficiency of the process. The APEA Software was utilized to investigate
the technological and financial features of the selected process. As per the outcomes obtained from a practical and
profitable point of view, the selected process was a reasonable method and from this study plant capability was
assessed. The suggested processing plant is economically feasible to build, as evidenced by the financial with the more
ROI%. Through this work, a more economical design was obtained compared to the base case design.
Keywords: Energy Analysis, Economic Analysis, Aspen Hysys, Simulation, Process
 6 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

1. INTRODUCTION
The process industry is focusing on addressing environmental and energy issues in manufacturing facilities.
This includes conserving resources and reducing energy usage management. In the past ten years, process
design approaches have increasingly emphasized energy efficiency and waste reduction from a systems
perspective, gaining attention in both industry and academia. Modifying core processing units requires
a clear understanding of how different components of the process are interconnected. Adjustments to
a unit or stream can have a substantial effect on the process’s profitability and operational efficiency.
Additionally, the process objectives (technical, economic, environmental, and safety considerations) must
be interconnected and well-balanced. To address these concerns, a systematic approach that considers
environmental, energy, and resource conservation issues holistically is necessary, regardless of the process
settings. A framework of design approaches, known as process integration design methodologies, can
solve the problems outlined above.
Natural gas is gaining popularity as an energy source due to its environmental benefits and potential for
rapid growth in areas like precision manufacturing and power generation [1]. To ensure optimal operation
of the pipeline grid, natural gas generated for mainline transmission must meet quality standards.
Wellhead-produced natural gas, which can include impurities and liquids, must undergo treatment before
being safely transported through high-pressure, long-distance pipelines for use. Industry simulation
programs vary based on use and desired product. Using ‘ASPEN HYSYS’ to its full potential can help
engineers achieve significant business benefits, including more efficient & profitable designs, improving
plant control and operability, minimizing process bottlenecks and networks, and reducing human error
and time requirements.
Developing flow sheets using a mathematical and scientific model can provide valuable insights into
system behavior. Proper simulation may easily fix design factors in complicated systems with multiple
interacting variables. The simulation model responds to changes in design parameters similarly to a real-
world process. Developing flow sheets is a cost-effective and safe way to optimize natural gas processing
plants by adjusting design elements. Aspen’s HYSYS is used to analyze the impact of design factors using
a flow sheet simulation approach.
Developing flow sheets using a mathematical and scientific model can provide valuable insights into
system behavior. Proper simulation may easily fix design factors in complicated systems with multiple
interacting variables. The simulation model responds to changes in design parameters similarly to a real-
world process. Developing flow sheets is a cost-effective and safe way to optimize natural gas processing
plants by adjusting design elements. Aspen’s HYSYS is used to analyze the impact of design factors using
a flow sheet simulation approach.
Flow sheet analysis involves changing operating variables. To construct the flowsheet, design data was
used to simulate the plant, followed by operating data to analyze its performance. The simulation model
incorporates geometric properties like vessel size, heat transfer area, and the number of trays in a column,
along with operational parameters such as temperature, pressure, and feed ratio. [6].
Aspen HYSYS® helps the process engineers easily evaluate economics and allows them to quickly review
the relative capital and operational costs in their process. This feature incorporates the benefits of the
Aspen Economic Evaluation product family into the process simulation environment. Aspen product
consists of Aspen Process Economic Analyzer, Capital Cost Estimator, and In-Plant Cost Estimator [4].
The updated costing module analyzes economic aspects using Icarus technology. This methodology
determines costs based on bare equipment prices. It follows industry based standard design principles
& methods to outline process unit and related plant bulks while employing cost modeling and planning
techniques to calculate project costs. The main steps in the integrated economic evaluation are as follows:
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 7

Activating the Costing Engine

Aspen Process Economic Analyzer (APEA) serves as the costing engine and this engine was activated; the
simulation outcomes are sent to APEA. The APEA generates the results based on a “standard basis file”
and regional cost data from the listed region.
¾¾ Equipment Mapping
Aspen HYSYS’s unified environment feature requires the mapping of each unit operation in the
simulation diagram. For example, a distillation column in Aspen HYSYS can be assigned to a trayed
tower, a kettle-type reboiler, an overhead condenser, a reflux pump, and a horizontal drum. The
system could automatically establish “default” mappings as well as the capacity.
¾¾ Sizing of Equipment
Equipment sizing is determined based on available simulation data and the default sizing approach,
where the system predicts any missing values. Carbon steel is typically used for constructing all
equipment. Users have the option to review equipment size and materials, modify estimated sizes,
change construction materials, and input values for equipment without predefined sizes.
¾¾ Economic Evaluation
The economic evaluation section assesses both capital and different utility costs involved in the
process. The project capital cost is determined by considering direct costs, which include material
and labor expenses related to unit operation and setup, piping, civil work, structural steel, etc.
2. PROCESS DESCRIPTION
The selected process is divided into 2 stages: gas dehydration and solvent regeneration. Water During
gas dehydration, water is extracted from a moist gas stream using a solvent in the absorber [2]. The rich
solvent is subsequently moved to the solvent restoration section, where the H2O is separated. Following
figure 1 depicts the process flow diagram of the TEG dehydration procedure. The natural gas process
dehydration using triethylene glycols (TEG), with an emphasis on feed gas from an acid gas removal unit
at 40 °C under high pressure. The gas flows into the absorber from the bottom, where it interacts with
counterflowing TEG at 45 °C, allowing it to absorb moisture. The raw material supplied to the moisture
removal section originates from the acid gas removal section, illustrated in Table 1. Dried gas exits at the
top, while the rich TEG exits at the bottom. The rich TEG’s pressure is reduced from 51 to 5 bars via a
valve, and its temperature is raised to 44 °C by a reflux condenser. A flash drum separates the absorbed
hydrocarbons, minimizing emissions during the regeneration phase. These hydrocarbons can be reused
as fuel or process gas. The rich TEG is heated to 145 °C in a lean-rich heat exchanger before entering the
regenerator, where water is removed and exits at the top. Lean TEG exits the regenerator’s bottom and is
recycled [3]. To facilitate convergence, the simulation assumes one absorber and three regenerator stages.

Table: 1 Feed Stream Specifications and Composition

Feed Stream Specifications

Temperature (oC) 40
Pressure (bar) 52
Flow rate (m /h)
3
1250
Composition (Mole)
N2 0.051 i-Butane 0.0008
CO2 0.060 n- Butane 0.0016
H2O 0.003 i-Pentane 0.0006
Methane 0.860 n-Pentane 0.0005
 8 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Ethane 0.017 n Hexane 0.0003

Propane 0.004 n Octane 0.0003

Figure1. PFD of Natural Gas Dehydrogenation

3. MATERIALS AND METHODS – SIMULATION BASIS

The simulation was run with Aspen HYSYS, and the Glycol thermodynamic fluid package was used to
evaluate the phase behavior of the TEG water mixture. The Glycol property package includes the TST
equation of state (EOS). The selected property fluid package predicts the VLE data over a wide range
of temperatures, pressures, and mole fractions commonly observed a typical TEG- H2O system. Aspen
Hysys simulation performing based on the following steps:
¾¾ Specify the components from Aspen databanks
¾¾ Specify built in property package to characterize the properties of the components and mixtures
¾¾ Draw the unit operations as per the requirement of the process.
¾¾ Indicate process stream conditions of inlet and outlet flow of the unit operations.
¾¾ Choose blocks from Aspen Model Library to illustrate each unit operation.
¾¾ Assign labels to individual blocks
¾¾ Specify the component flow rates and temperature, pressure, and composition of streams.
¾¾ working conditions of each block.
4. RESULTS AND DISCUSSION

4.1 Economic Analysis

An economic analysis was conducted to assess the total capital investment and return on investment to
gauge the economic performance of the procedures suggested in this study. These economic attributes
were assessed following standard methodologies [9]. One of the most expensive pieces of equipment
in the dehydration system is the columns. The direct capital cost of Absorber columns is more than 65
percent. The absorber’s expense is determined by the available trays in the column and packing height,
the column diameter, thickness of the vessel, and the material of construction. The circulation of gas and
solvent rates are moving through the column was directly impacting the absorber’s diameter.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 9

The column diameter and, thus, the capital expenditure increases with the feed and glycol flowrates.
According to their findings, the absorb is the costliest piece of equipment in the entire dehydration unit,
accounting for roughly 68% of the total inside battery limits investment. However, assuming a 20-year
plant life, the corresponding yearly capital cost accounted for only 14% of the overall cost, meaning that
most of the cost was attributed to plant operating costs. Setting the glycol circulation rate at maximum
while taking a drop in gas pressures into account, particularly for wellhead dehydrators, is one of the
design errors made while choosing the absorber diameter [5].
The equipment, operating, and installation costs were the main factors considered while calculating the
cost of the dehydration processing facility. The costing summary is presented in below Table. Valve,
tube, process, and instrumentation equipment employed for the unit’s enhancement are included in the
equipment cost. The improved pricing and upkeep of dehydration units and oil gas equipment, the Croft
Production Systems were used. Predictions of installation and running costs were gathered from the
processing facility [8].
Total Capital Investment Cost, (CTCI)=CLand +CTDC (1)
Total Depreciable Capital (CTDC)
= Factor (1.2) × (CIBL +CSite + CBuildings +COffsite facilities) (2)
Where, CIBLI - Inside Battery Limits Investment Cost (i.e., installed cost of all equipment’s)

Table1. Cost summary of Natural gas dehydration Process

Cost Item Base Case Proposed Configuration

Amount ($)
Total Capital Cost 2964430 2963400

Total Operating Cost 1030112 1029190

Total Utilities Cost 87100 86546.5

Equipment Cost 270300 270130

Total Installed Cost 1069100 1068500

4.2 Energy Analysis

A process modeler may provide thorough energy analysis, including all types of exergies.
Total Exergy = Chemical Exergy + Physical Exergy (3)
Physical Exergy, 𝐸𝑥𝑃ℎ𝑦𝑠𝑖𝑐𝑎𝑙 = ℎ − ℎ0 − 𝑇0(𝑠 − 𝑠0) (4)
Component Chemical Exergy,
𝐸𝑥𝐶ℎ𝑒𝑚𝑖𝑐𝑎𝑙(𝑋)=∑𝑛𝑖𝐸𝑥𝑃ℎ𝑦𝑠𝑖𝑐𝑎𝑙(𝑒𝑙𝑒𝑚𝑒𝑛𝑡𝑠) + 𝑔𝑓𝑜𝑟𝑚𝑎𝑡𝑖𝑜𝑛(𝑋) (5)
Stream Chemical Exergy, 𝐸𝑥𝐶ℎ𝑒𝑚𝑖𝑐𝑎𝑙 = ∑𝑥𝑖𝐸𝑥𝐶ℎ𝑒𝑚𝑖𝑐𝑎l (6)
In this study energy analysis was performed for natural gas dehydrogenation process. The correlations
suggested by Gadalla et al. [10] were then utilized to assess the reduction in CO2 equivalent emissions
based on the energy savings [7]. While the equivalent emissions associated with the construction of
equipment can be disregarded, the authors of the same reference demonstrate that the primary source of
the Global Warming Potential is energy consumption in oil and gas processing facilities. Because of this, it
is logical to assume that the most significant improvements will result from improved heat recovery and
more appropriate use of steam [7]. The actual and targeted total uitlities for the process are 1.752x105 kJ/h
and 1.712x105 kJ/h.
10 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure 2. Energy analysis based on Flow basis

Figure 3. Energy analysis based on cost basis

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 11

5. CONCLUSION
In this study, the natural gas dehydration processes were modeled using the commercial Aspen HYSYS
simulator to assess their efficiency. The simulation incorporated three unique tri-ethylene glycol flow
rates, different striping gas flux levels, and fluctuating reboiler temperatures. The modeling method
demonstrates effectiveness in minimizing energy consumption in natural gas dehydration by decreasing
the water content in the regeneration column. Moreover, sensitivity evaluations of a few of the process’s
operating parameters

REFERENCES
1. Younger, A. H., & Eng, P. J. G. P. A. (2004). Natural gas processing principles and technology-part I. Gas Processors
Association, Tulsa Oklahoma.
2. Chebbi, R., Qasim, M., & Jabbar, N. A. (2019). Optimization of triethylene glycol dehydration of natural gas. Energy
Reports, 5, 723-732
3. Ibrahim, T. K., Abdulrahman, R. K., Khalaf, F. H., & Kamal, I. M. (2017). The Impact of Stripping Gas Flow Rate on Tri-
ethylene Glycol Losses from Glycol Regeneration Unit: Simulation Study. J Chem Eng Process Technol,8(3), 1000337.
4. [Link] Rouzbahani, M. Bahmani, J. Shariati, T. Tohidian, M.R. Rahimpour, Simulation, optimization, and sensitiv-
ity analysis of a natural gas dehydration unit, Volume 21, November 2014, Pages 159-169, J. Nat. Gas Sci. Eng. (2014)
5. Mihaela Neagu, Diana Luciana Cursaru, Technical and economic evaluations of the triethylene glycol regeneration
processes in natural gas dehydration plants, 2017, Journal of Natural Gas Science and Engineering , Volume 37, Janu-
ary 2017, Pages 327-340.
6. Usama Nour Eldemerdash, Mohamed Abdrabou,Shakinaz Taha El-Sheltawy, Amr Abdelghany, Assessment of chem-
ical enhancement and energy consumption of natural gas dehydration processes, Gas Science and Engineering, Vol-
ume 123, March 2024, 205226.
7. Tesi Arubi, and Ugochukwu Ilozurike Duru, Optimizing Glycol Dehydration System for Maximum Efficiency: A Case
Study of a Gas Plant in Nigeria, June 2008.
8. Musa Shittu and Aniefiok Livinus, Techno-Economic Analysis of a Natural Gas Dehydration System: A Case Study of
an “X” Processing Plant in the Niger Delta, Engineering Perspective 4 (1): 40-46, 2024.
9. Marta Bis, Piotr Ryczaj, Cost and profitability analysis of natural gas dehydration installations, AIP Conf. Proc. 2887,
020021 (2023).
10. M. Gadalla, Ž. Olujić, M. Jobson, and R. Smith, Estimation and reduction of CO2 emissions from crude oil distillation
units, Energy, Volume 31, Issue 13, October 2006, Pages 2398-2408.
 3
Reduction of Carbon Footprints in Production of
Asphaltic Materials
Bayan Abdulrahman Albalushi, Shaima Hakim Alkalbani, Badria Yaqoub Alnofali, Ghadeer Nasser
Alhikmani and Govindarajan Lakshmanarao*
College of Engineering and Technology, University of Technology and Applied Sciences, Suhar Sultanate of Oman

ABSTRACT
The increasing environmental concerns associated with traditional petroleum-based asphalt production, including
greenhouse gas emissions, fossil fuel depletion, and waste generation, call for sustainable alternatives. This study
explores the feasibility of utilizing date seeds, a readily available agricultural waste in Oman, as a sustainable
replacement material in asphalt production. The research involved a systematic process of collecting, cleaning, drying,
boiling, acid treatment, and grinding date seeds into a fine powder, ensuring the removal of impurities, moisture, and
volatile organic compounds. The weight reductions observed during processing indicate significant structural and
chemical transformation, producing a stable material with potential binding and performance-enhancing properties
for asphalt applications. The findings emphasize the dual environmental and economic benefits of incorporating
date seed powder into asphalt formulations. Environmentally, this approach reduces reliance on petroleum- derived
bitumen, mitigates greenhouse gas emissions, and supports agricultural waste valorization, aligning with circular
economic principles and global sustainability goals. Economically, using locally available date seeds can lower road
construction costs by reducing dependency on fluctuating oil prices, while creating value-added applications for
agricultural byproducts. Despite these promising outcomes, the study underscores the need for further investigations,
including mechanical performance testing (e.g., stability, rutting resistance, and fatigue life), life- cycle assessments
(LCA), and pilot scale applications to validate the practical feasibility of date seed-modified asphalt. Additionally,
optimization of processing techniques and exploration of broader applications in construction and industrial
sectors could further enhance the material's utility. This research highlights an innovative, eco-friendly solution
for sustainable road infrastructure development, contributing to global efforts to reduce environmental impacts and
promote resource efficiency.
Keywords – Sustainable Asphalt, Green Asphalt Date, Waste Valorization, Eco-friendly Infrastructure
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 13

1. INTRODUCTION
Asphalt, also known as bitumen, is a sticky, black, and highly viscous material primarily used in
road construction. It consists of hydrogen and carbon compounds, with minor amounts of Sulphur,
nitrogen, and oxygen. Asphalt is mostly derived from crude oil refining processes but can also be
found in natural deposits. This versatile material is known for its ability to be both
Asphalt, also known as bitumen, is a black, sticky, and highly viscous material primarily used in road
construction. Composed mainly of hydrogen and carbon, with small amounts of sulfur, nitrogen,
and oxygen, it is derived from crude oil refining or found in natural deposits. Asphalt is both durable
and flexible, making it ideal for paving roads and other construction applications. Historically used
by ancient civilizations—especially in the Middle East—for road construction and waterproofing, it
remains the most widely used material for high-quality road surfaces today, covering over 90% of
highways. Its composition, which includes aliphatic and aromatic compounds, varies based on the
crude oil source, affecting its properties and performance. [1] [2]
Methods of Asphalt Production
Asphalt production involves several key stages. It begins with the extraction of aggregates like sand,
gravel, or crushed stone from quarries or mines. These materials are then crushed and screened to achieve
the required size and gradation. Next, the aggregates are dried in rotary dryers at 150°C to 175°C to
remove moisture. Meanwhile, bitumen, the binder, is heated in insulated tanks to maintain its properties.
In the final mixing phase, the heated aggregates are combined with bitumen—along with any additives—
using either batch or continuous mixing plants to produce the final asphalt mix. [3] [4]

Environmental and Economic Impact

Asphalt production has significant environmental and economic impacts due to its petroleum-based nature
and energy-intensive processes. The extraction and refining of crude oil for asphalt contribute to fossil
fuel depletion and high carbon dioxide (CO₂) emissions. Heating bitumen and aggregates requires large
amounts of energy, further increasing the carbon footprint. Additionally, transportation and construction
processes emit more greenhouse gases. Even after application, asphalt contributes to the urban heat island
effect, raising city temperatures and increasing energy demands for cooling, which leads to more emissions
and worsens climate change. The rising cost of asphalt, driven by oil prices, increases the expenses of
infrastructure projects, placing financial strain on governments and taxpayers. Continuous maintenance
and resurfacing, especially in harsh climates, add to long-term economic burdens. Additionally, asphalt
contributes to water pollution through runoff containing harmful substances like oils, heavy metals, and
PAHs, which harm ecosystems and human health, further increasing cleanup and mitigation costs. [5] [6]
[7].
2. LITERATURE REVIEW

Uses Of Asphalt
Asphalt is a versatile material widely used in construction and infrastructure projects. Its unique properties
make it suitable for various applications, including road construction, surface treatments, waterproofing,
and other industrial uses. Below is a comprehensive discussion of the uses of asphalt, supported by
references for further study.

Road Construction
Asphalt is essential in road construction, forming durable and reliable surfaces. It is mixed with
aggregates—about 5% asphalt and 95% aggregates by weight—and compacted at paving sites. There
are two main types: Hot Mix Asphalt (HMA), used for high-traffic areas like highways and airports
 14 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

due to its strength, and Cold Mix Asphalt, which is more economical and suitable for low-traffic
roads and repairs. [8]
Uses of Asphalt
Asphalt is a versatile material widely used in construction and infrastructure projects. Its unique
properties make it suitable for various applications, including road construction, surface treatments,
waterproofing, and other industrial uses. Below is a comprehensive discussion of the uses of asphalt,
supported by references for further study.

Road Construction
Asphalt is crucial for road construction, providing durable surfaces. It is mixed with aggregates (5%
asphalt, 95% aggregates) and compacted at paving sites. The two main types are Hot Mix Asphalt (HMA),
used for high-traffic areas, and Cold Mix Asphalt, which is more economical and suitable for low-traffic
roads and repairs[8].
3. MATERIALS AND METHODS
The objective of this experiment is to utilize date seeds, an agricultural waste, to produce an active material
that can potentially replace conventional asphalt, thereby reducing environmental emissions.

Materials:
¾¾ Date seeds (300.1 g initial sample), Distilled water
¾¾ Phosphoric acid
Tools:
Scale, Thermometer, Oven, Electric heater, Flakes, Buchner funnel, Tissues, Watch glass, Evaporation dish,
Drying plate, Electric mixer, Laboratory beaker, Gloves and tongs

Experimental Procedure

Collection and Preparation of Date Seeds:

Collect 5 kg of date seeds (with the help of a date exhibition).
Take a sample of 300.1g for experimentation.

Cleaning:
Wash the seeds thoroughly with distilled water three times to remove impurities.
Measure the weight of the cleaned seeds: 312,6g

Drying:
Place the cleaned seeds in an oven set to 100–150°C.
After drying, record the weight: 294.8 g.

Boiling:
Boil the dried seeds in water at 100°C for 1 hour.
Drain the water using a Buchner funnel. Dry the seeds with tissues to remove residual [Link] the
sample: 325.1 g.
Chemical Treatment:
1. Immerse the sample in a basin containing phosphoric acid for 5 minutes.
2. Remove the seeds and place them in the oven at 300°C for 10 minutes.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 15

Step with picture

The experiment began

by collecting 5 kg of date
seeds (with the help of Next, the sample was
a date exhibition). A placed in a basin, and
sample of 300.1 grams of phosphoric acid was
date seeds was taken added for 5 minutes
Figure 1: Dry date seeds on Figure 6: Date seeds on the
the scale. scale after drying.

The seeds were cleaned After removing the

with distilled water (3 sample from the solution,
times) to ensure that all it was placed in the oven
impurities were removed. at a temperature of 300°C
After washing, the for 10 minutes.
Figure 2: Wet date seeds on weight of the sample was
the scale 312.6 grams.
Figure 7: Phosphoric acid.

The sample was then After removing the

placed in an oven at a seeds, they should
temperature ranging be fully burned and
from 100°C to 150°C for allowed to cool to room
drying. temperature
Figure 3: Date seeds in the Figure 8: Date seeds in the
oven oven.

The sample was placed in The sample was weighed

boiling water (100°C) for again, 214.3 grams.
one hour.
Figure 4: Dry date seeds on
the scale. Figure 9: Date seeds after
burning.

Finally, the seeds were

The water was drained ground in an electric
from the sample. blender until they
became fine powder
Figure 5: Date seeds in Figure 15: Date seeds on the
boiling water scale after burning..
 16 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

The sample was then

dried with a tissue to The weight of the
ensure all the water was powder obtained from
removed. the previous experiment
was measured
Figure 9: Date seeds in water Figure 16: Date seeds after
filter. grinding.

The weight of the sample

after removing the water
was 325.1 grams.

Figure 17: Weight of a sample

Figure 10: Date seeds in of ground seeds.
tissues

4. RESULTS AND DISCUSSION

This study explored the use of date seeds as an alternative material in asphalt production to reduce
environmental emissions. Experimental results are presented and discussed.

4.1. Initial Weight and Cleaning Process

The study assessed date seeds as a sustainable asphalt alternative, aiming to reduce environmental
emissions.
Table 1:Initial Weight and Cleaning Process

Process Weight (grams)

After boiling and towel drying 325.1

After phosphoric acid treatment and heating 214.3

Process Weight (grams)

Initial weight 300.1

After cleaning 312.6

4.2. Drying Process

Date seeds were oven-dried at 100–150°C for 24 hours, resulting in a weight reduction to 294.8g due to
moisture loss.
Table 2:Drying Process

Process Weight (grams)

After cleaning 312.6

After drying 294.8

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 17

4.3. Boiling and Further Drying

Date seeds were boiled at 100°C for one hour and towel-dried. Their weight increased to 325.1g due to
slight water absorption during drying.
Table 3 Initial Boiling

Process Weight (grams)

After drying 294.8
After boiling and towel drying 325.1
After boiling and towel-drying, date seeds weighed 325.1g due to slight water absorption, despite efforts
to remove all moisture.
Table 4:Boiling and Further Drying

Process Weight (grams)

After drying 294.8
After boiling and towel drying 325.1

Treatment with Phosphoric Acid

Date seeds were treated with phosphoric acid for 5 minutes, then heated at 300°C for 10 minutes, reducing
their weight to 214.3g due to volatile loss and carbonization.

Grinding and Powdering

The final step involves grinding the treated seeds into a fine powder. The powder was weighed to
determine the yield of the processed material. The weight of the powder was recorded as part of the
experiment, but the exact value is expected to be lower than the seed weight due to the removal of volatile
materials during previous steps.
Table 6:Grinding and Powdering

Process Weight (grams)

After treatment and heating 214.3

After grinding it into powder(sample) 67.6

Discussion
Processing steps like washing, drying, boiling, and heating effectively removed moisture and organics from
date seeds, making them a promising, eco-friendly material for asphalt production. Their composition—
rich in potassium, fatty acids, and tocopherols—also offers potential for other industries. Further testing
is needed to confirm asphalt performance. . [13]

5. CONCLUSION
This study explores date seeds as a sustainable alternative in asphalt production, reducing reliance on
petroleum-based materials. Processing steps like drying, boiling, and heating convert seeds into a stable
powder, with their chemical composition enhancing asphalt binding properties. Using date seeds can
lower carbon emissions, promote waste reuse, and reduce road construction costs. Further research is
needed to assess durability and performance in real applications.
 18 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

ACKNOWLEDGEMENT
The authors wish to express their sincere appreciations to the authorities of the University of Technology
and Applied Sciences, Suhar for their constant support and encouragement for carrying out this research
REFERENCES
1. J. Jimmy Carter, "asphalt," Britannica, 6 Nov 2024. [Online]. Available: [Link]
phalt-material.
2. Aexcel, "3 Ways Asphalt and Concrete Are Affecting the Planet," aexcelcorp, 12 May 2017. [Online]. Available: https://
[Link]/blog/eco- friendly-traffic-paint/3-ways-asphalt-and- concrete- are-affecting-the-planet.
3. "The Road Ahead," nationalasphaltpavement , Online].[Link]
4. R. Singla, "Asphalt," vedantu, [Link]]. Available: ttps://[Link]/chemistry/asphalt.
5. M. A. J. K. R. Safoura Salehi, "Sustainable pavement construction: A systematic literature review of environmental and
economic analysis of recycled materials," sciencedirect, vol. 313, pp. 12-79-36,2021.
6. M. ,. F. G. Md Tareq Rahman, "Recycling of Waste Materials for Asphalt Concrete and Bitumen: A Review," mdpi,
2020. [Online]. Available: [Link]
7. Janez Turk, "Environmental comparison of two alternative road pavement rehabilitation techniques: cold-in-place-
recycling versus traditional reconstruction," sciencedirect, vol. 121, pp. 45-55, 2016.
 4
Hydrothermal Synthesis of CeO2/rGO Nano
Composite and its Characterization
V. Ramanjaneyulu11, T. Bala Narsaiah2*
1
Department of Chemical Engineering, Jawaharlal Nehru Technological University Anantapur, Ananthapuramu
Department of Chemical Engineering, JNTUA College of Engineering, Ananthapuramu
2

ABSTRACT
Graphene materials are remarkable catalysts for energy and sensor applications due to their special properties. In
this study, CeO2 and CeO2/rGO NCs were prepared using a straightforward hydrothermal process that involved
heating the material to 210°C for 24 hours. These composites have a cubic structure, according to the PXRD data,
which indicates strong crystallinity. The obtained structure suits with the JCPDS card No. 34-0394, which has space
group Fm-3m. Scanning electron microscopy, transmission electron microscopy (TEM/HRTEM), selected area
electron diffraction (SAED), and energy dispersive spectroscopy (EDAX) were used to examine the morphological
and structural elemental compositions. The present work projects the morphological and structural pattern of CeO2/
rGO NCs.
Keywords: CeO2/rGO, Hydrothermal Process, EDAX, PXRD, TEM/HRTEM

INTRODUCTION
Over the past two decades, carbon-based substrates have exhibited tremendous influence over the
designing of sustainable advanced materials for energy and environment applications [1,2]. In comparison
with the carbon nanotubes and graphene, graphene oxide (GO) is more desirable for composite fabrication,
mainly due to its 2D structure, remarkable stability, large surface area, enhanced conductivity [3,4]. In
precise particular, reduced graphene oxide (rGO) is more effective in deposition of metal/metal oxides
on its surface, making it more suitable for catalytic applications [5–7]. NCs of rGO with metal oxides have
attracted attention due to their enhanced charge transfer at the interface, which influences the conductivity
and electron transport capability of these NCs.
Several attempts have been made to develop application-driven materials such as chalcogenides and
metal organic frameworks [8, 9] However, these materials require time-consuming synthetic methods
and are expensive. Alternatively, deposition of different metal oxides, such as TiO2, ZnO, and MnO2 on
 20 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

rGO can yield superior NCs with extraordinary enhanced properties for electrochemical applications [10,
11]. No wonder, CeO2/rGO NCs are likely to find applications as catalysts, sensors and electroactive
materials. Kumar and Kumar have investigated the photodegradation of Methylene Blue (MB) using rGO-
CeO2 NC to successfully achieve 73% efficiency when compared to 34% efficiency as against blank CeO2
nanoparticles on exposure to sunlight [13]. Most of the authors have attributed the excellent performance
to the synergic effect between rGO and CeO2. In the present study, a hydrothermal approach was followed
for the synthesis of CeO2/rGO NCs with enhanced stability and electron charge transfer behaviour.
2. EXPERIMENTAL
2.1. Materials and methods
Reduced graphene oxide (purity, >99%), ammonium cerium nitrate [(NH4)2Ce(NO3)6] (purity ≥98%),
sodium hydroxide as fuel, hexadecyltrimethylammonium bromide (CTAB) (purity ≥98%) as quaternary
ammonium surfactant and rest of the chemicals were purchased from Sigma-Aldrich. All the reagents
were of analytical grade and were used without any further purification.
2.2. Synthesis of CeO2 /rGO NC
A hydrothermal synthesis was used for the preparation of CeO2/rGO NC. Initially, optimisation was
carried out to identify the most favourable precursor concentrations needed to carry out the reaction to
achieve a high yield. Based on the results, 0.041 g of GO was ultrasonically introduced to 25 mL of 2 M
NaOH for 60 min. 6 mL of 0.05 M ammonium cerium nitrate solution was added by magnetic stirring for
over 30 min. The entire content was then transferred to a 100 mL Teflon-lined stainless-steel autoclave and
heated at 210 oC for 24 hr. Subject to cooling; the obtained black precipitate was centrifuged by repeated
washing with Millipore water until the supernatant liquid became clear. Finally, the sample was kept
overnight in a hot air oven maintained at 60oC.
2.3. Characterization
Crystallographic phase studies of the synthesised samples were done by using high resolution powder X-ray
diffraction studies on Thermo X’TRA X-ray diffractometer (Shimadzu 7000s) using Cu Kα radiation (λ = 1.540
Å) in the 2θ range of 5o-85o. The morphological features were studied by scanning electron microscopy with
energy dispersive spectrometer and elemental mapping (FE-SEM/EDS, JSM7500F, Japan). XPS analysis was
performed on a PHI 5000 X-ray photoelectron spectrometer with versa probe system using monochromatic Al
Kα radiation (1486.6 eV). Raman shift was recorded at room temperature using a Raman spectrometer (MOD-
EL T64000, Jobin Yvon Horiba, France).

210 0C, 24 hr Centrifugation

Wash & Dry

Fig.1. Schematic representation of preparation of CeO2 and CeO2/rGO NC.

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 21

The ambient pressure gas sorption isotherm was measured using NOVA-1000 ver.3.70 adsorption equipment.
UV-Visible (UV-Vis) studies were conducted using an ELICO SL-150 spectrophotometer in the range 200
nm–800 nm using BaSO4 as reference material. The cyclic voltammetry (CV) and electrochemical impedance
spectroscopy (EIS) measurements were carried out using an electrochemical analyser (CHI608 potentiostat)
in a tri-electrode system, comprising of Ag/AgCl (reference electrode), platinum wire (counter electrode) and
the fabricated carbon paste electrode (working electrode) in 0.1N HCl solution as the electrolyte. EIS measure-
ments in the frequency range from 1 Hz to 1 MHz were carried out at 5 mV AC amplitude.

3. RESULTS AND DISCUSSION

3.1. pXRD analysis
The phase purity and crystallographic studies of the synthesized NC was investigated using pXRD
and Raman spectroscopy. Fig. 2(a) & (b) shows the XRD of CeO2, CeO2/rGO NCs. The characteristic
diffraction peaks of CeO2 microspheres with the face-centred cubic structure indicated good crystallinity
(JCPDS No. 34- 0394). Sample for the pXRD analysis was prepared by grinding manually the NC using
an agate mortar. It was then placed on the flat side of the sample holder, while the measurement was
conducted with the scan step size of 0.02 and integration time 0.6 s per step. The diffraction peak of 10.4o
is characteristic of GO [8]. Fig. 2(a) also shows the set of diffraction peaks of CeO2 sample corresponding
to fluorite type face-centred cubic structure with the cell parameters of 0.5411 nm (a=b=c); well matched
with JCPDS File 34-0394. It is seen that the diffraction peak corresponding to GO at 10.4o disappeared
and a prominent diffraction feature appeared at 26.3o for CeO2/rGO NC spectra indicating the removal
of oxygen functional group from GO and formation of rGO [9]. The CeO2 crystallite size was calculated
using Debye-Scherrer formula D = K λ/ βCosθ by taking the FWHM of the most intense diffraction peak.
The crystallite size for pure CeO2 and CeO2/rGO was measured to be 6.89 nm and 6.23 nm, respectively.

Fig. 2. XRD (a & b) of CeO2 and CeO2/rGO NC

FESEM and EDS analysis

The FESEM images in Fig. 3 show that the blending of rGO and CeO2 resulted in a flake-like morphology
which suggests heavy aggregation of the CeO2 nanoparticles on the rGO sheets. The overall impact of the
incorporated CeO2 on rGO is crucial in determining the photocatalytic (in terms of quicker interaction of
the catalyst with the dye molecule) and electrochemical (in terms of providing higher surface reaction
sites and rapid charge transfer) activities.

Fig. 3. FESEM images of (a) CeO2 and (b) CeO2/rGO NCs formation
 22 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

The SEM based EDS analysis carried out on a random area revealed the presence of Carbon, Cerium and Oxy-
gen elements (Fig. 4). This was further confirmed by elemental mapping, thereby confirming the formation of
CeO2/rGO NCs.

Fig. 4. (a) SEM image (b) EDAX spectra of CeO2/rGO and the elemental ratios of (c) Carbon 20.62% (d) Oxygen 4.4%, (e)
Cerium 75% in CeO2/rGO.

3.4. XPS analysis

In order to obtain further information on the chemical composition of the synthesized sample, XPS
measurements were also carried out. The obtained survey spectrum shown is evident for the presence of
essential elements such as C, O and Ce (Fig. 5 (a - c)) from their corresponding photoelectron peaks C 1s,
O 1s, and Ce 3d at binding energy values at 284, 532 and 884 eV, respectively [9].

Fig. 5. XPS spectra of (a) Carbon (b) Oxygen and (c) Cerium and (d) The N2 adsorption/desorption
isotherms of CeO2/rGO
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 23

5. CONCLUSION
In conclusion, we have successfully demonstrated the synthesis of CeO2/rGO NCs via a simple one-
pot hydrothermal method. The pXRD, Raman spectroscopy and XPS provide sufficient evidence on the
formation of CeO2/rGO NC. The adsorption isotherm revealed a mesoporous nature of the NC with a low
specific surface area of 100.1 m2 /g
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7. B. Xu, L. Xia, F. Zhou, R. Zhao, H. Chen, T. Wang, Q. Zhou, Q. Liu, G. Cui, X. Xiong, F. Gong, X. Sun, Enhancing elec-
trocatalytic N2 reduction to NH3 by CeO2 nanorod with oxygen vacancies, ACS Sustain. Chem. Eng. 7 (2019) 2889–2893.
8. S. Li, J. Fan, S. Li, H. Jin, W. Luo, Y. Ma, J. Wu, Z. Chao, N. Naik, D. Pan, Z. Guo, Synthesis of three-dimensional Mo-
doped nickel sulfide mesoporous nanostructures/Ni foam composite for supercapacitor and overall water splitting,
ES Energy Environ. 16 (2022) 15–25.
9. Y. Wang, Y. Liu, C. Wang, H. Liu, J. Zhang, J. Lin, J. Fan, T. Ding, J.E. Ryu, Z. Guo, Significantly enhanced ultrathin
NiCo-based MOF nanosheet electrodes hybrided with Ti3C2Tx MXene for high performance asymmetric supercapac-
itor, Eng. Sci. 9 (2020) 50–59.
 5
Visible Light active N-doped CeO2 Nanopowder for
the Removal of Reactive Black 5 dye from Water
under Solar Light Irradiation
Dhivyadharshini1, Jaganathan Dharmaraja3, Santhanam Sivakumar3, Kaliyappan Sivaranjan1*

1
Department of Chemistry, Government Arts College( Autonomous), Salem-7, Tamilnadu
2
Department of Chemistry, E.R.K Arts and Science College, Dharmapuri, Tamilnadu
3
Department of Chemistry, Government Arts and Science College, Kallakurichi, Tamilnadu

ABSTRACT
In this study, a series of nitrogen-doped cerium oxide (N-doped CeO2) photocatalysts, responsive to visible light,
were successfully synthesized using a sol-gel approach. XRD analysis confirmed that both doped and undoped CeO2
samples retained a cubic fluorite crystal structure. Surface features and particle dimensions were examined through
SEM. The incorporation of nitrogen into the CeO2 lattice effectively narrowed its band gap from 3.3 eV to 2.99
eV, thereby enhancing the separation of photogenerated charge carriers and improving absorption in the visible
light spectrum. Compared to pure CeO2, the N-doped CeO2 variants exhibited significantly higher visible light
absorption. Hence the samples, the 0.009 mol% N-doped CeO2 nanopowder demonstrated the highest photocatalytic
efficiency, achieving a degradation rate of 85.83% within 120 minutes.
Keywords: Sol-gel Method; Incorporation of N; Solar Light Absorption; Tuning Band Gap.

1. INTRODUCTION
Metal oxide-assisted photocatalytic wastewater treatment is a relatively prospective subject and growing
rapidly to remove hazardous pollutants from contaminated water. In this context, TiO2, ZnO, Fe2O3,
SnO2, WO3, Bi2O3, V2O5, Cu2O, NiO, etc. have been studied extensively both in artificial and natural light
sources to acquire pollution free water. Among the photocatalysts CeO2 has good photocatalysts due to
its high chemical stability, low toxicity and greater oxygen storage capacity. However, its performance in
photocatalysis is unsatisfactory due to greater photo excitons’ recombination, lower absorption of visible
light spectrum and higher band gap (2.8–3.1 eV) energy. Therefore, it is a need to modify CeO2 in order
to increase its utilization visible light spectrum. The doping of CeO2 with metals or non-metals results in
a change in the position of the top valence band level and bottom of the conduction band level. The effect
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 25

of CeO2 doping with B, C,and N on the energy of CB and VB has been investigated (Miao, [Link].,2016).
In contrast to B and C doping, N doping caused a shift of the CB and VB towards more positive values
while the band gap energy of N-CeO2 was 3.01 eV (Wu, C. [Link]., 2015; J. [Link] [Link]., 2023). Hence
in this present work, In order to make CeO2 active in visible light the band gap was modified by doping
of nitrogen.
2. MATERIALS AND METHOD
This chapter deals with the method of preparation of catalyst, characterization techniques, Instrumental
techniques and the experimental set-up used for the carrying out the photocatalytic study.

2.1 Chemical Used

Ceric ammonium nitrate (AR) 99%, Urea (AR) 98% and Ammonia solutions (33%) by Qualigens were used
for the preparation of the N-doped CeO2 photocatalyst. Reactive Orange 30 (industrial grade) supplied by
Vexent Dyeaux India Pvt. Ltd, Mumbai (minimum dye content 80%). Hydrochloric acid (35%), were used
for photocatalytic performence.

2.2 Preparation of N doped-CeO2 Photocatalyst

In the typical synthesis 5 g of Ceric (III) ammonium nitrae (CAN) crystal was added into 250 ml of hot
distilled water with vigorous stirring for several minutes. By adding ammonia to the colloid precipitate
obtained and then washed with distilled water and was centrifugally separated by several times. After
that 0.009 mol % of urea was added as N dopants and was followed by drying at 100°C to remove part of
the absorbed water. The solid calcined at 500°C for 4 hr for solid phase reaction. The pure cerium oxide
prepared by the same protocol without using urea.

2.3 Evaluation of Photocatalytic Activity

The locally produced photocatalytic device arrangement was employed to investigate the photocatalytic properties
of organic dyes under solar light exposure. (The solar light intensity was measured as 1.20 × 10-5 Einstein l-1 s-1,
which is done by ferrioxalato method). The device was positioned in a continuously irradiated environment, and its
temperature was maintained by a continuous flow of water in its external casing.

2.5 Characterization
XRD images of photocatalysts were obtained using a Philips X'pert-MPD diffractometer. Surface
morphologies were investigated using SEM technuque (JEOL JSM-6360LV). DRS in the UV-visible range
were collected using a Perkin-Elmer Lambda 35 spectrometer.
3. RESULT AND DISCUSSION

3.1 XRD pattern of photocatalysts

Figure 1 XRD paterns of Pure CeO2 and N-doped CeO2 nanoparticles

 26 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

XRD patterns of CeO2 and N doped-CeO2, were given in the Figure 1. As can be seen in Fig. 1, the diffraction
peaks at 28.3o, 32.8o, 47.2o, 56.1o and 69.3o are assigned to the cubic fluorite crystalline phase of N-doped
CeO2 nanoparticles similar to that of pure CeO2 pattern (JCPDF no. 34-0394).

3.2 SEM Analysis

Figure 2 SEM images of (a) pure CeO2(b) N-doped CeO2 photocatalysts.

Scanning electron microscopic technique is used for the determination of morphologies and dispersion
of the photocatalyst. Scanning electronic micrograph of N-doped CeO2 nanoparticles and its parent
photocatalysts such CeO2 were shown in Figure 2
The micrograph of CeO2 (a) was found to consist of highly irregular agglomerated particles and N-doped
CeO2 nanoparticles (b) was in the loosely aggregated surface. From these micrographs, N-doped CeO2
nanoparticles dispersed on the form of small size irregular particles due to its indicates that N doped with
-CeO2 photocatalyst.

3.2 DRS Analysis

The diffuse reflectance spectra of synthesized N-doped CeO2 nanoparticles and CeO2 are displayed in Fig
4. N-doped CeO2 nanoparticles shows larger absorption than synthesized undoped CeO2 in visible region;
it reveals that increases the visible light activity of the catalyst.

Figure 4 UV-visible diffused reflectance spectrum of Pure CeO2, N-doped CeO2 nanoparticles
To calculate the band gap energies of both catalysts, UV-visible spectra in the diffuse reflectance mode (R)
were transformed to the Kubelka-Munk function The band gap energies of bare CeO2 and N-doped CeO2
nanoparticles are found to be 3.2 eV and 2.72 eV, respectively.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 27

3.4 PHOTOCATALYTIC STUDIES

3.4.1 Photodegradability of Reactive Orange 30

The photocatalytic activity of the pure CeO2, N-doped CeO2 nanoparticles, pure TiO2 and Degussa P25 has
been evaluated on reactive black 5 (RB 5) in the presence of solar light irradiation. The degradation of the
RB 5 solution with concentration above 50 mg/l .

Figure 5 Photocatalytic degradation and kinetic plots of RB 5 over various

The photocatalytic activity CeO2 and N-doped CeO2 nanoparticles were shown in Figure 5. The
photocatalytic activity of the N-doped CeO2 nanoparticles exhibit better photocatalytic activity than
other three listed photocatalysts (CeO2, pure TiO2 and Degussa P25). It could be clearly seen that the
photocatalytic degradation rate of RB 5 was increases with addition of dopant concentration (nitrogen).

3.4.2 Photocatalytic Mechanism

The probable role of nitrogen in N-doped CeO2 nanoparticles was illustrated in the Fig. 6. From the Figure,
it could be seen that the N-doped CeO2 nanoparticles could be simultaneously excited to form electron–
hole pairs. Due to this band position, the photoexcited electron on the CB of CeO2 can be abstracted by
 28 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

oxidant (O2). As a result, the electron and hole generated in the CeO2 will have sufficient life time to
prompt the photocatalytic oxidation reactions.
O2
- - -
e e e

h t
lig
ibl e
Vi s
UV -
O2
.
H2O 2 9 eV

h+ h+ h+ H2O
HOO + OH

dye
-
N doped CeO2
H+ + OH
product
dye

product

Figure 6 Proposed electron-hole charge separation mechanism.

4.9. Reusability of Photocatalyst

Figure 4.23 Reusability of oxidant combined N-doped CeO2 nanoparticles

To assess the stability of the catalyst on reuse, the N-doped CeO2 nanoparticles was used in consecutive
photocatalytic experiments for the degradation of RB 5 up to five cycles. The reuse percentage of degradation
observed was 100, 100, 98, 95 and 92 in the first, second, third, fourth and fifth reuse respectively (Figure
4.23). The gradual decrease in the photocatalytic activity after each cycle may be due to the accumulation
intermediates formed during the degradation of dye.
4. CONCLUSION
CeO2 and N-doped CeO2 nanoparticles are in fluorite phase where synthesized by sol-gel method. The
N-doped CeO2 nanoparticles shows an absorption threshold extended into the visible region and also has
smaller particle size compared to CeO2. Hence, N-doped CeO2 nanoparticles shows efficient degradation
of RO 30 than pure CeO2 It could be applied for treatment of other organic dye.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 29

REFERENCES
1. Miao, H.; Huang, G.-F.; Liu, J.-H.; Zhou, B.-X.; Pan, A.; Huang, W.-Q.; Huang, G.-F. (2016), Origin of enhanced photo-
catalytic activity of F-doped CeO2 nanocubes. Applied Surface Scince, 370, 427–432.
2. Wu, C; (2015) Solvothermal synthesis of N-doped CeO2 microspheres with visible light-driven photocatalytic activity.
Materials Letters, 139, 383–384.
3. Seunghee, J. P.; Young, H.J.; Young, B. J; Eun-Sook Lee, J.; Lee, D. (2023), Effective Atomic N Doping on CeO2 Nanopar-
ticles by Environmentally Benign Urea Thermolysis and Its Significant Effects on the Scavenging of Reactive Oxygen
 6
Recent Trends in Carboxy-Methyl Cellulose Based
Hydrogel Films
Keerthana Nalla, Jangala Hari priya, Yadavalli Rajasri, K. Dharmalingam
Department of Biotechnology, Chaitanya Bharathi Institute of Technology (A), Kokapet-500075, Hyderabad

ABSTRACT
Carboxymethyl cellulose (CMC)-based hydrogel films have gained considerable interest in recent years. This can be
attributed to their excellent biocompatibility, biodegradability, and tunable physicochemical properties. Our review
explores the latest advancements in the synthesis and applications of CMC-based hydrogels, with special focus on
biomedical field, agricultural applications, and wastewater treatment. Various cross linking strategies like physical
and chemical modifications are used, which improve the mechanical strength and performance of CMC hydrogels.
We also explore how nanoparticles and bioactive compounds which are integrated into CMC hydrogels enhance
specific functionalities: nanomaterials for improved mechanical properties and antimicrobial activity, and bioactive
compounds for controlled drug delivery and tissue regeneration. The study elucidates the hurdles and upcoming
directions in the development of CMC-based hydrogel films for commercial and industrial applications.
Keywords: Carboxymethyl Cellulose, Hydrogels, Physicochemical Properties, Applications.

INTRODUCTION
Hydrogels are hydrophilic, three-dimensional networks. It is typically composed of a polymer and a cross-
linker. This makes the polymer insoluble in water (Li et al., 2022). The main significance of hydrogels
comes from its ability to maintain its structure while absorbing large amounts of water.
Carboxymethylcellulose (CMC) is a non-ionic polymer derived from cellulose and is obtained by the
reaction between cellulose and mono-chlorideacetic acid. Its unique properties such as high viscosity,
biocompatibility, and biodegradability comes from its structure which links carboxymethyl groups ()
attached to the hydroxyl groups of the cellulose backbone. The usage of CMC in industries and research is
mainly due to its abundance and cheapness (Rahman et al., 2021; Tyagi & Thakur et al., 2023).
This review focuses on the recent trends in CMC-based hydrogels, in synthesis and application. It focuses
on the recent trends in synthesis and modifications that enhance the hydrogels performance in biomedical,
environmental, and food packaging aspects. It also discusses the challenges and future prospects for this
ever-expanding field.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 31

RECENT ADVANCES IN APPLICATIONS

CMC hydrogels' biocompatibility and ability to respond to environmental stimuli make them suitable for
biomedical applications such as drug delivery, wound dressings, and tissue engineering (Zhang et al.,
2022). Their ability to respond to environmental pH makes them suitable for targeted therapy, where the
drug is released based on the pH of the environment (Kabir et al., 2018). In this context, a study conducted
by Dahlan et al., (2018) successfully synthesized a copolymer from carboxymethyl cellulose (CMC) and
carboxymethyl polyvinyl alcohol (CMPVA), resulting in a smart hydrogel with commendable properties
for drug delivery like different swelling rates at various pH.
CMC hydrogels are also used as scaffolds in tissue engineering. Their porous structure and biodegradability
provide the right environment suitable for tissue regeneration (Sannino et al., 2009). The hydrogels are
also widely used in agriculture to improve water absorption and retention in soil and for delayed or
accelerated release of fertilizers. The ability of CMC hydrogels to absorb large amounts of water and
release the same gradually, is helpful in reducing soil erosion and improving crop yields (Lee et al., 2023).
In a case where the CMC hydrogels loaded with diatomite, a fossilised skeleton of a diatom, has shown
improved water retention in the soil by 291% when compared to untreated soil (Barala et al., 2025). In
another study by Charoenchaitrakool et al., (2023), CMC hydrogels were used for the controlled release of
urea and other fertilizers. They have demonstrated that the CMC-gelatin hydrogels can release urea over
17 cycles, significantly outperforming commercial fertilizers.
Both of the above-mentioned properties make these hydrogels useful in wastewater treatment. An example
is how their absorption capacity can be used to extract heavy metals and dyes from water. The same has
been explored in a research conducted by Daoud & Bennour (2022), where CMC-based hydrogels were
used to remove methylene blue, a toxic cationic dye, from polluted water efficiently.
CHALLENGES AND LIMITATIONS
Although there are many advantages, CMC hydrogels have their challenges. Mechanical strength and
stability are areas that require more research (Ghorbani et al., 2018; Miljković et al., 2021). Future research
should focus on formulating CMC hydrogels with enhanced properties and suitable for new applications
in emerging fields such as smart sensors and advanced biomedical devices. Using waste materials, such as
those from invasive species, for cellulose synthesis is another topic that should be explored in the coming
years (Miljković et al., 2021).

Table: Applications and Properties of CMC-Based Hydrogels

Application Property Reference

Agricultural Water Retention High water absorption capacity (Barala et al., 2025; Lee et al., 2023)
(Charoenchaitrakool et al., 2023; Garduque et
Controlled Fertilizer Release pH responsiveness
al., 2020)
Biocompatibility and controlled
Drug Delivery (Zhang et al., 2022; Kabir et al., 2018)
release
Wastewater Treatment Adsorption of pollutants (Daoud & Bennour, 2022)
Porous structure and
Biomedical Scaffolds (Dahlan et al., 2018; Sannino et al., 2009)
biodegradability

CONCLUSION
The carboxy-methyl cellulose based hydrogels are biomaterials that are proven to be useful in agriculture,
medicine and environmental science. They are biocompatible, biodegradable and have high water
absorption capacity which makes them useful in different industries. CMC hydrogels are likely to become
more important in the future as research continues to advance in order to solve problems like water
scarcity and environmental pollution.
 32 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

REFERENCES
1. Li, B. (2022). Hydrogels. Kirk‐Othmer Encyclopedia of Chemical Technology, 1–37. [Link]
8961.0825041807211620.a01.pub3.
2. Rahman, Md. S., Hasan, Md. S., Sutradhar, A. N., Nam, S., Karmakar, A. K., Ahsan, Md. S., Shiddiky, M. J. A., & Ahmed,
M. B. (2021). Recent Developments of Carboxymethyl Cellulose. Polymers, 13(8), 1345. [Link]
POLYM13081345
3. Tyagi, V., & Thakur, A. (2023). Applications of Biodegradable Carboxymethyl Cellulose-Based Composites. https://
[Link]/10.2139/ssrn.4515503
4. Zhang, W., Liu, Y., Xuan, Y., & Zhang, S. (2022). Synthesis and Applications of Carboxymethyl Cellulose Hydrogels.
Gels (Basel, Switzerland), 8(9), 529. [Link]
5. Daoud, L., & Bennour, S. (2022). Preparation of biodegradable carboxymethyl cellulose based hydrogels and their dual
application in fertilizer controlled release and cationic dye removal. Cellulose Chemistry and Technology, 56(5–6),
667–680. [Link]
6. Kabir, S. M. F., Sikdar, P. P., Haque, B., Bhuiyan, M. A. R., Ali, A., & Islam, M. N. (2018). Cellulose-based hydrogel
materials: chemistry, properties and their prospective applications. Progress in Biomaterials, 7(3), 153–174. https://
[Link]/10.1007/S40204-018-0095-0
7. Dahlan, N. A., Pushpamalar, J., Veeramachineni, A. K., & Muniyandy, S. (2018). Smart Hydrogel of Carboxymethyl
Cellulose Grafted Carboxymethyl Polyvinyl Alcohol and Properties Studied for Future Material Applications. Journal
of Polymers and The Environment, 26(5), 2061–2071. [Link]
8. Sannino, A., Demitri, C., & Madaghiele, M. (2009). Biodegradable Cellulose-based Hydrogels: Design and Applica-
tions. Materials, 2(2), 353–373. [Link]
9. Barala, P., Lohchab, M., & Hooda, V. (2025). Carboxymethyl Cellulose‐Based Composite Hydrogels for Sustainable
Agriculture Under Drought Stress. Polymers for Advanced Technologies, 36(1). [Link]
10. Lee, J. E., Lee, D.-Y., Kim, D. H., Oh, Y., Hwang, K.-K., Seo, J. S., Kim, K.-J., & Lee, T. J. (2023). Influence of Hydrogels
Prepared Using Carboxymethyl Cellulose on Water Retention in Soil. Peolpeu Jong’i Gi’sul, 55(1), 83–91. [Link]
org/10.7584/jktappi.2023.[Link]
11. Charoenchaitrakool, M., Tulathon, P., Meesangnil, W., Niamnuy, C., Seubsai, A., & Sudsakorn, K. (2023). Carboxymeth-
yl Cellulose and Gelatin Composite Hydrogel for Environmentally Friendly Urea Delivery. [Link]
ssrn.4663822
12. Ghorbani, S., Eyni, H., Razavi Bazaz, S., Nazari, H., Salari Asl, L., Zaferani, H., Kiani, V., Abouei Mehrizi, A., & Solei-
mani, M. (2018). Hydrogels Based on Cellulose and its Derivatives: Applications, Synthesis, and Characteristics. Poly-
mer Science Series A, 60(6), 707–722. [Link]
13. Miljković, V., Savic Gajic, I. M., & Nikolić, L. (2021). Waste Materials as a Resource for Production of CMC Superabsor-
bent Hydrogel for Sustainable Agriculture. Polymers, 13(23), 4115. [Link]
14. Garduque, R. G., Gococo, B. J., Yu, C. A., Nalzaro, P. J., & Tumolva, T. P. (2020). Synthesis and Characterization of Sodi-
um Carboxymethyl Cellulose/Sodium Alginate/Hydroxypropyl Cellulose Hydrogel for Agricultural Water Storage
and Controlled Nutrient Release. Solid State Phenomena, 304, 51–57. [Link]
NET/SSP.304.51
 7
Carboxymethyl Cellulose - Based Polymeric Blends
for Food Packaging: A Review
Grandhi Manognadevi, Kanuganti Akhila, Rajasri Yadavalli, Dharmalingam K
Department of Biotechnology, Chaitanya Bharathi Institute of Technology (A), Hyderabad, Telangana

ABSTRACT
Natural, biodegradable, and bioavailable polymers are increasingly favoured in the food packaging industry due to
environmental concerns. Among these, cellulose and its derivatives, particularly carboxymethyl cellulose (CMC),
have gained significant attention due to their widespread availability and functional versatility. CMC, a water-soluble
derivative of cellulose, is distinguished by the presence of carboxylic acid groups linked to glucopyranose monomers
through hydroxyl groups. It possesses key attributes such as high viscosity, film-forming ability, biodegradability,
and cytocompatibility, making it a promising material for eco-friendly packaging applications. However, films
composed solely of CMC exhibit inherent limitations, including inadequate mechanical strength, restricted thermal
stability, and brittleness. To address these drawbacks, various modification approaches have been explored. The
incorporation of CMC into polymeric blends, particularly with biopolymers such as chitosan and polyvinyl alcohol,
has demonstrated improved flexibility and antimicrobial efficacy by harnessing the complementary properties of these
materials. Additionally, the reinforcement of CMC-based films with nanoscale fillers, including silver and zinc oxide
nanoparticles, has been shown to enhance mechanical integrity and barrier performance. Furthermore, embedding
active agents such as antioxidants and antimicrobials within CMC matrices facilitates the development of active
packaging systems that extend food shelf life. Despite these advancements, achieving an optimal balance between
hydrophilicity and water resistance remains a significant challenge, necessitating further research into cross-linking
methodologies and the incorporation of hydrophobic additives. This review critically examines recent progress in the
development of CMC-based polymeric blends for food packaging, highlighting modification strategies, improvements
in functional properties, and existing research gaps that must be addressed to maximize the potential of CMC in
sustainable packaging applications.
Keywords: Biodegradable Polymers, Carboxymethyl Cellulose, Food Packaging, Polymeric Blends.
 34 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

INTRODUCTION
The growing environmental issues linked to traditional plastic packaging have intensified the quest for
sustainable and biodegradable options within the food packaging sector. Among the numerous biopolymers
explored, carboxymethyl cellulose (CMC) has grabbed considerable attention due to its unique properties
and adaptability. CMC is a water-soluble derivative of cellulose, obtained through the chemical alteration
of natural cellulose by the incorporation of carboxymethyl groups into its backbone (Ramakrishnan et al.,
2024). This modification improves its solubility and functionality, making it appropriate for a wide range
of applications, especially in the development of biodegradable packaging materials.
The extraction of CMC from agricultural byproducts, such as sugarcane bagasse, presents a economically
friendly method while simultaneously promoting waste utilization and environmental sustainability.
Recent research has shown that it is possible to derive CMC from lignocellulosic biomass, resulting in
materials that possess impressive film-forming abilities and mechanical characteristics (El-Sakhawy et al.,
2023). These CMC-based films hold promise as sustainable substitutes for conventional plastic packaging,
effectively tackling both ecological and economic issues.
Additionally, the fundamental properties of CMC, such as its biodegradability, biocompatibility, and
non-toxic nature, align closely with the growing consumer preference for safe and sustainable packaging
options. Nevertheless, pure CMC often face challenges like brittleness and high moisture sensitivity,
which can restrict their effectiveness in food packaging applications (Ramakrishnan et al., 2024). To
address these challenges, researchers have introduced blending of CMC with other biopolymers, such as
chitosan. These combinations have demonstrated the potential to improve the mechanical strength and
water resistance of the films, while also providing additional benefits such as antimicrobial properties
(Kong et al., 2024).
In addition to the blending of polymers, studies have examined the addition of natural extracts and
nanoparticles to CMC matrices to further enhance the functional properties of the films. For instance, the
inclusion of mandarin and cantaloupe peel extracts has been found to provide antimicrobial effects to
CMC-based films, thereby increasing the shelf life of packaged food products (El-Sakhawy et al., 2023).
These innovations emphasize the potential of CMC-based materials in the advancement of active and
intelligent packaging systems that not only function as passive barriers but also actively aid in food
preservation (Ramakrishnan et al., 2024).
This review aims to provide a comprehensive overview of the recent developments in CMC-based
polymeric blends for food packaging applications. It focuses on the unique properties of CMC along with
the strategies for property enhancement through blending and additive incorporation, and the resulting
functional properties of the developed films. Furthermore, the review will discuss current challenges
and prospects in this field, highlighting the role of CMC-based films in advancing sustainable packaging
solutions.
CHEMISTRY AND FUNCTIONAL CHARACTERISTICS OF CMC
CMC is a cellulose ether derivative obtained through carboxymethylation of cellulose. This process results
in a polysaccharide that is not only water-soluble but also possesses film-forming properties, which
are beneficial for biodegradable food packaging applications. The performance of CMC is affected by
its chemical structure, the degree of substitution (DS), and its interaction with other biopolymers and
additives (Ramakrishnan et al., 2024).
CHEMICAL STRUCTURE AND SYNTHESIS
The synthesis of CMC involves the interaction of cellulose with monochloroacetic acid in an alkaline
medium, which facilitates the addition of carboxymethyl groups (–CH₂COOH) to the cellulose backbone.
The degree of substitution (DS) is a pivotal factor influencing the solubility, viscosity, and film-forming
properties of CMC. Typically, a DS ranging from 0.6 to 0.9 is optimal for producing flexible and consistent
films suitable for applications involving food contact (Jagdale et al., 2023).
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 35

Recent advances focus on green synthesis methods using agricultural waste as cellulose sources, which
not only reduce environmental impact but also enhance the cost-efficiency and sustainability of CMC
production (Grossmann et al., 2021).

2.2 Functional characteristics

CMC's wide application potential in food packaging comes from its favourable physicochemical and
functional characteristics.
Table 1 : Functional properties of CMC for food packaging

Property Relevance to packaging References

Film-Forming Ability Essential for producing edible packaging films Jagdale et al. (2023)
Yuan et al.
Biodegrada-bility Supports eco-friendly, sustainable packaging goals
( 2021)
Biocompati-bility Suitable for edible coatings and packaging Yuan et al. (2021)
Water solubility Allows edible films and easy dispersion of additives Qin et al. (2020)
Useful in intelligent packaging that detects food
pH Responsiveness T. Ma & Chen. (2022)
spoilage
Moisture Sensitivity Needs changes for use in moist food packaging Lin et al. (2022)
Mechanical Strength Requires blending or crosslinking for durability Jagdale et al. (2023)

BLENDING STRATEGIES TO ENHANCE THE PROPERTIES OF CMC-BASED FILMS

Although CMC is widely recognized for its biodegradability, transparency, and film-forming capabilities,
it is hindered by certain limitations, including weak mechanical strength, moisture sensitivity, and poor
gas barrier properties. To counter these issues, recent research has focused on multifunctional blending
methods that involve the integration of natural and synthetic polymers, biocompatible crosslinkers, and
nanomaterials. These innovative strategies not only improve the physicochemical performance of CMC
but also enhance its applicability in active, intelligent, and sustainable packaging systems.

3.1 Crosslinking with natural agents

Crosslinking is a commonly employed modification technique aimed to enhance the stability and
functionality of CMC. Recent studies have highlighted the benefits of utilizing natural, food-grade
crosslinkers, noted for their safety and biodegradability. Citric acid, for instance, has been extensively
used to establish ester linkages between CMC chains, significantly improving the water resistance,
thermal stability, and tensile strength of the resultant films (Gavrilova et al., 2021). Similarly, tannic acid,
recognized for its polyphenolic structure along with its inherent antimicrobial and antioxidant properties,
has been shown to increase the crosslinking density in CMC films, thereby improving their barrier
properties and oxidative stability (Estevez et al., 2020). Another noteworthy example is genipin, a natural
iridoid crosslinker. When combined with CMC, it yields deep blue, elastic films that are particularly
advantageous for intelligent packaging applications, as they exhibit visible color changes in response
to shifts in pH (Lu et al., 2023). Furthermore, enzymatic crosslinking using enzymes such as laccase or
transglutaminase has emerged as a viable and sustainable method for producing non-toxic, biodegradable
CMC films with enhanced properties.

3.2 Blending with polymers

Blending CMC with various biopolymers is a commonly explored technique to improve its film-forming
properties. Chitosan, is one of the most frequently employed natural polymers in this context. Its cationic
 36 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

characteristics and natural antimicrobial activity enable it to interact electrostatically with the anionic
CMC, resulting in films with enhanced antimicrobial effectiveness, structural integrity, and mechanical
strength (Duarte et al., 2022). The incorporation of starch, a low-cost and renewable polysaccharide, can
enhance the film's transparency, flexibility, and biodegradability; however, it is important to ensure
that mechanical performance is adequately supported through additional reinforcement strategies (El-
Sakhawy et al., 2023). Gelatin and agar have been utilized to enhance the elasticity and transparency of
CMC films, resulting in edible films that are ideal for packaging confectionery and bakery items.
Additionally, synthetic polymers like polyvinyl alcohol (PVA) and polyethylene glycol (PEG) have been
combined with CMC to improve its structural integrity and mechanical strength. PVA is particularly
effective in increasing tensile strength and flexibility, with PVA-CMC composites demonstrating remarkable
oxygen barrier capabilities, making them suitable for vacuum-sealed or modified atmosphere packaging
(Ramakrishnan et al., 2024). PEG serves as a plasticizer, improving the flexibility and smoothness of CMC
films while facilitating the even distribution of active components such as nanoparticles or essential oils
within the film matrix. Although less frequently employed, the incorporation of polylactic acid (PLA) has
been noted to produce multilayer, biodegradable packaging materials that exhibit enhanced thermal and
mechanical properties, thus providing opportunities for more rigid packaging solutions (Liu et al., 2022).

3.3 Nanocomposite Reinforcement

Nanotechnology offers a significant advancement in the functional enhancement of films made from
CMC. The incorporation of nanoparticles, such as silver (AgNPs), zinc oxide (ZnO), cellulose nanocrystals
(CNCs), and graphene oxide (GO), markedly improves properties such as mechanical strength,
antimicrobial activity, and ultraviolet light resistance. Silver nanoparticles are known for their potent
antimicrobial properties and thermal stability in CMC films; however, their high cost and potential
regulatory hurdles restrict their use in large-scale food packaging. In contrast, ZnO nanoparticles gained
attention due to their safer profiles and their capacity to enhance both mechanical strength and microbial
resistance, making them suitable for packaging perishable food products (Duarte et al., 2022). CNCs,
derived from renewable biomass, contribute to increased tensile strength and reduced water vapor
permeability while maintaining the film's biodegradability. Similarly, GO and nanoclays enhance gas
barrier and thermal properties, which are essential for extending the shelf life of sensitive items such as
dairy products (Ramakrishnan et al., 2024).
Together, these blending strategies demonstrate the versatility of CMC as a base polymer for food
packaging. Through thoughtful selection of blending agents and reinforcement techniques, CMC-based
films can be customized to meet a wide range of performance metrics required for commercial application,
all while adhering to sustainability goals and regulatory safety standards.
RECENT ADVANCES IN FOOD PACKAGING APPLICATIONS
The progress in CMC-based polymer films has enabled their application in advanced food packaging
systems that go beyond conventional protection. Driven by the need for environmental sustainability
and food safety, recent studies have prioritized the development of biodegradable, edible, active, and
intelligent packaging materials made from CMC and its mixtures. These advancements are intended to
enhance food preservation, decrease plastic waste, and elevate consumer engagement through dynamic
packaging technologies.
Table 2 : Recent Advances in CMC-Based Films for Food Packaging Applications

Application Type Description Key Materials/Strategies Benefits References

Films that are safe Reduces moisture loss, Mohan et al.
Edible and CMC blended with gelatin, (2020)
to consume and prevents oxidation,
Biodegradable Films starch, pectin, alginate
degrade naturally enhances safety
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 37

Packaging that
actively protects Incorporation of essential Inhibits microbial Domínguez et al.
Active Packaging food through oils (e.g., clove, oregano), growth, prolongs shelf (2020)
antimicrobial or plant extracts life
antioxidant actions
Films that respond to Mohan et al.
CMC combined with Enables spoilage
Intelligent spoilage indicators (2020)
anthocyanins/red cabbage detection via color
Packaging like pH and give
extract change
visible cues
Enhanced durability,
Barrier and Improving resistance Blending with PVA,
reduced oxygen Wang et al.
Mechanical to gases and nanoclay, PLA,
and water vapor (2021)
Enhancements mechanical integrity nanocellulose
permeability
Regulatory and Safe for food contact, Zhang et al.
Commercial and FDA/EFSA-approved (2022)
commercial potential for industrial
Regulatory Potential materials, scalable processes
feasibility scale-up

5. CHALLENGES AND LIMITATIONS

CMC-based polymeric blends have gained significant attention as sustainable alternatives to synthetic
plastics in food packaging. However, despite their biodegradability and excellent film-forming capabilities,
several challenges hinder their widespread commercial adoption. These challenges are primarily because
of CMC’s moisture sensitivity, poor barrier and mechanical properties, compatibility issues in polymer
blending, high production costs, and regulatory concerns. Addressing these limitations is crucial to
enhance the functionality and industrial feasibility of CMC-based packaging materials.
One of the primary concerns with CMC-based films is their high-water solubility and moisture sensitivity.
Due to CMC’s hydrophilic nature, films tend to absorb moisture from the environment, leading to swelling
or dissolution in humid conditions. This characteristic significantly limits their application in packaging
high-moisture food products. Researchers have attempted to mitigate this issue by employing crosslinking
agents such as citric acid, which enhances water resistance while maintaining biodegradability. A study
demonstrated that citric acid-crosslinked CMC films exhibited lower water solubility and improved
mechanical properties, making them more suitable for humid storage environments (Jiang & Ngai, 2022).
Additionally, incorporating hydrophobic additives like beeswax has been shown to decrease water vapor
permeability, further enhancing the film’s moisture barrier properties (Hussain et al., 2023).
Another major limitation of CMC-based films is their poor barrier properties against gases such as oxygen
and carbon dioxide, which are crucial factors in food preservation. Films with high oxygen permeability
fail to prevent oxidative spoilage, thus reducing food shelf life. To address this, nanoclay particles such
as montmorillonite (MMT) have been incorporated into CMC matrices. Studies have demonstrated that
the addition of MMT at a 7% concentration significantly reduces oxygen permeability, thereby improving
the barrier properties of CMC-based films (Almasi et al., 2009). However, ensuring uniform dispersion of
nanoclays within the polymer matrix remains a challenge, as uneven distribution can lead to weak spots
in the film structure, reducing its overall effectiveness.
In addition to barrier properties, the mechanical weakness of CMC-based films is a critical challenge. Pure
CMC films exhibit low tensile strength and high brittleness, making them susceptible to tearing during
handling and transportation. To overcome this issue, blending CMC with polyvinyl alcohol (PVA) has
been explored to enhance mechanical properties. Research has indicated that films composed of 60%
PVA and 40% CMC exhibit significantly higher tensile strength and elongation at break compared to
other blend ratios, suggesting that optimized formulations can improve film durability (Mazhar, 2020).
However, achieving an ideal blend requires careful control of processing conditions, as excessive polymer
blending can lead to phase separation, affecting the film’s integrity.
 38 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Compatibility issues also pose significant challenges in the formulation of CMC-based polymeric blends.
When blended with other biopolymers such as chitosan or synthetic polymers like PVA, differences in
molecular structure and polarity can lead to phase separation, reducing the homogeneity and mechanical
performance of the final film. The use of compatibilizers or plasticizers, such as glycerol, has been shown
to improve the miscibility of CMC with other polymers, resulting in more uniform and flexible films (Jiang
& Ngai, 2022). However, excessive amounts of plasticizers can negatively affect film stability, making it
crucial to optimize their concentration for balanced performance.
Despite its natural abundance, the production costs of CMC-based films remain high due to the need
for advanced processing techniques and additive incorporation. While CMC itself is inexpensive, the
additional steps required to enhance its mechanical and barrier properties, such as nanocomposite
reinforcement and chemical crosslinking, contribute to increased production costs. Furthermore, scaling
up these processes from laboratory to industrial levels presents additional challenges in maintaining
consistency and quality. Developing cost-effective and scalable manufacturing techniques is essential for
the commercial viability of CMC-based food packaging (Elgharbawy et al., 2024).
Finally, regulatory and consumer acceptance pose significant challenges to the adoption of CMC-based
films. Ensuring compliance with food safety regulations and obtaining approval from regulatory bodies
such as the U.S. Food and Drug Administration (FDA) and the European Food Safety Authority (EFSA) is
crucial for market entry. Additionally, consumer preferences for packaging materials that are functional,
aesthetically appealing, and environmentally friendly play a role in determining the success of CMC-based
films in the packaging industry. Conducting comprehensive safety evaluations and market research can
help align product development with regulatory requirements and consumer expectations (Elgharbawy
et al., 2024).
Addressing these challenges through targeted research and development can enhance the performance
and commercial viability of CMC-based polymeric blends. By improving moisture resistance, optimizing
mechanical properties, and ensuring regulatory compliance, these films have the potential to revolutionize
the food packaging industry as a sustainable alternative to conventional plastics.
FUTURE PERSPECTIVES
The future of CMC-based polymeric blends in food packaging is advancing through innovations in material
engineering, crosslinking strategies, nanotechnology, and processing techniques. Blending CMC with
biopolymers like PLA and starch enhances mechanical strength, water resistance, and biodegradability,
making it a promising alternative to synthetic plastics (Tyagi & Thakur, 2023). Green crosslinking using
tannic acid and enzymatic methods improves film stability while introducing antimicrobial properties,
ensuring safer food packaging applications (W. Zhang et al., 2023). Additionally, nanotechnology
integration, such as incorporating nanocellulose and ZnO nanoparticles, further strengthens CMC-based
films by improving their mechanical, barrier, and antimicrobial properties. However, concerns about
nanoparticle safety in food applications necessitate further research before large-scale adoption (Ge et al.,
2024).
Advancements in processing techniques, including electrospinning and 3D printing, allow for better
structural control and enhanced oxygen barrier properties, which are crucial for food preservation (Hashmi
et al., 2021). Additionally, smart packaging technologies, such as pH-responsive indicators embedded
in CMC films, enable real-time monitoring of food freshness, improving consumer safety and reducing
food waste (Yu et al., 2024). As regulatory measures push for more sustainable packaging solutions,
these advancements position CMC-based films as a viable and environmentally friendly alternative to
conventional plastic packaging.
CONCLUSION
Carboxymethyl cellulose (CMC) has gained recognition as a viable material for sustainable food packaging
due to its renewable origin, biocompatibility, and ability to form films. This review examines various
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 39

methods used to improve the functional characteristics of CMC through blending with both natural and
synthetic polymers. These composite materials exhibit enhanced mechanical strength, barrier properties,
and antimicrobial effectiveness, which are crucial for food preservation and safety. The addition of
substances such as essential oils, nanoparticles, and crosslinking agents further enhances the performance
of CMC-based films, positioning them as competitive alternatives to traditional plastics. However, despite
these advancements, challenges persist regarding scalability, cost-effectiveness, and the consistency of
performance in commercial settings. Future research should aim to optimize formulations for industrial
use, develop multifunctional films with intelligent or active packaging features, and ensure compliance
with regulations governing food contact materials. In summary, polymeric blends based on CMC offer a
promising route toward environmentally friendly and effective food packaging solutions that align with
global sustainability objectives.
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 8
Extraction of Cinnamaldehyde from Cinnamon
S. Hakkiem, C.R. Pratheesh, G. Marsh lenin , [Link]
Department of Chemical Engineering, Nandha Engineering College, Perundurai,Tamil Nadu

ABSTRACT
A new high-frequency vibro-acoustic extractor with bio-based polyhydroxy glycerol ether (PGE) solvent and
cobalt-doped graphene oxide nanoparticles (Co-GO NPs) catalyst was developed to extract cinnamaldehyde from
Cinnamomum verum bark. Cryogenic ground fresh bark is extracted under optimum conditions with 200 mL PGE,
0.5 g Co-GO NPs, 45 minutes under vibrating energy cycles at 40 kHz. Purification is carried out by employing
graphene-based nanofiltration and vacuum-assisted rotary evaporation. Using analytical techniques such as near-
infrared (NIR) spectroscopy and gas chromatography-mass spectrometry (GC-MS), the yield of 2.25% ± 0.03%
and purity of 99.0% ± 0.17% were reached in the production of the essential oil, which proved superior to the
traditional extraction methods. Independent replication (ANOVA, p < 0.05) confirms that solvent volume, catalyst
dose, and extraction time drive efficiency, in decreasing order of significance. The piece is stable under nitrogen
storage and retains aroma as well as composition. This eco-friendly, energy-efficient technology provides a high yield
and purity, with scalable possibilities in the food, pharmaceutical, and cosmetic worlds, showcasing advances in
green chemistry solutions.
Keywords: Cinnamaldehyde Extraction, Vibro Acoustic Extraction, Polyhydroxy Glycerol Ether (PGE), Cobalt
Doped Graphene Oxide (Co-GO), Yield Optimization.

1. INTRODUCTION
Cinnamaldehyde, a principal bioactive component in cinnamon Cinnamomum verum, is well-known for its
fragrance and extensive use in perfumery, food preservation, and pharmaceutical and cosmetic industries.
Being its main component (1–2% of dry mass, depending on the species and on the methods of extraction
[17]), this aldehyde is usually extracted from cinnamon bark. Other classical techniques like steam
distillation and solvent extraction have been used extensively [3], but they usually have low yields, high
energy consumption, and thermal degradation of volatile components [7]. In response, there is increased
research into greener alternatives to the extraction process16,lenad with332234-based methods7,
supercritical CO 2 {super40a,64d} methods8, and enzymatic pre-treatments9. Even with these advances,
 42 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

challenges persist in the quest for improved yield, purity, and environmental impact. While some recent
innovations in extraction technology, such as bio-based solvents [5], and nanoparticle catalysts [13], show
promise, future progress may require even more extensive methods of extraction. This study proposes a
new high-frequency vibro-acoustic extractor coupled with a custom polyhydroxy glycerol ether (PGE)
solvent and cobalt-doped graphene oxide nanoparticles (Co-GO NPs) for methane recovery from deep
rock formations. This novel method, as opposed to traditional systems, utilizes pulsed energy cycles and
cutting-edge materials to facilitate release of cinnamaldehyde from lignocellulosic matrices [10], targeting
efficiency and stability as a measure of performance. Expanding on previous research relating to analytical
optimization [15] and sustainable processing [14], the present research aims to redefine the extraction of
cinnamaldehyde into a scalable, environmentally-benign process with considerable potential for industrial
applications.
2. RESEARCH GAP AND OBJECTIVES
Existing methods of extracting cinnamaldehyde, such as ultrasound or steam distillation, have difficulty
simultaneously maximizing yield, purity, and sustainability. As a result, the research gap persists to
combine vibro-acoustic energy with bio-based solvents and biocatalysts for efficient extraction in an eco-
friendly manner. The main objectives are the development of a vibro-acoustic technique based on PGE
solvent enabled by Co-GO NPs, optimization of parameters to maximize yield and purity from PGE, the
composition and stability characterization of the extract, as well as consideration of its efficiency and
environmental impact in comparison with conventional techniques for implementation of a scalable
green chemical synthesis.
3. RELATED WORKS
Recent studies regarding the extraction methods of Cinnamomum verum (cv.) cinnamaldehyde reveal
various developments motivated by its bioactive characteristics and opportunity for industrial use. In
another study, Patel and Rao [1] utilized response surface methodology (RSM) to optimize the microwave-
assisted extraction and improve the yields but had energy issues. Chen et al. [2] moved towards advanced
ultrasound-assisted extraction methods which reduce timings and save solvents, finally laying down a
non-thermal benchmark. Khan and Singh [3] noted that supercritical CO₂ extraction was shown to
produce higher purity extracts compared to steam distillation, but this method is costly. Nguyen and
Tran [4] introduced enzymatic pre-treatment, boosting cinnamaldehyde release biologically. Gupta et
al. [5] employed deep eutectic solvents for selective, green extraction, while Kim and Park [6] refined
HPLC for precise quantification. Costa and Silva [7] developed sustainable hydrodistillation, minimizing
environmental impact. Ali and Mohammed [8] modeled extraction kinetics for predictive accuracy, and
Desai and Patel [9] explored energy-efficient solvent-free methods. Zhou and Wang [10] used pulsed electric
fields to enhance yields via electroporation. Torres and Gomez [11] designed continuous flow systems
for scalability, while Lee and Kim [12] optimized leaf-based extraction. Reddy and Nair [13] pioneered
ionic liquid extraction for better solubility, Wu and Zhang [14] integrated solar-assisted distillation for
energy savings, and Patel and Sharma [15] advanced analytical quantification. These studies collectively
underscore innovations in efficiency, sustainability, and scalability for cinnamaldehyde extraction.
4. MATERIALS AND METHODS

4.1 Materials
The study utilized freshly harvested Cinnamomum verum bark from organic Sri Lankan plantations as
the cinnamon source, verified through botanical analysis. A bio-based solvent, polyhydroxy glycerol
ether (PGE), was custom-synthesized from renewable glycerol derivatives with ≥98% purity. Cobalt-
doped graphene oxide nanoparticles (Co-GO NPs), with an average 15 nm particle size, were synthesized
in-house and confirmed by transmission electron microscopy for use as the catalyst.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 43

4.2 Methods

4.2.1 Preparation of Cinnamon Bark

Cinnamon bark was cleaned with deionized water, air-dried at 30°C for 12 hours in a controlled 40%
humidity chamber, and pulverized using a cryogenic grinder under liquid nitrogen to a 5 mm particle size
to preserve volatile compounds. The ground bark was sieved to a 250 μm fraction, selected for extraction
based on surface area analysis using the Brunauer-Emmett-Teller method, optimizing it for efficient
processing.

4.2.2 Synthesis of Co-GO Nanoparticle Catalyst

Graphene oxide (GO) was synthesized from citrus peel-derived carbon precursors using a modified
hydrothermal method, with cobalt nitrate incorporated at 5% w/w under 50 kHz ultrasonic agitation
for 30 minutes. The resulting cobalt-doped graphene oxide nanoparticles (Co-GO NPs) were calcined at
250°C for 2 hours in a nitrogen atmosphere, washed with deionized water, and dried at 60°C. Catalyst
activity was confirmed through X-ray diffraction and Fourier-transform infrared spectroscopy.

4.2.3 Cinnamon Bark Extraction and Purification

A 50 g pulverized cinnamon bark sample was mixed with 200 mL PGE solvent and 0.5 g Co-GO nanoparticles,
extracted using 40 kHz vibro-acoustic energy at 25°C for 45 minutes, centrifuged, and washed with 50 mL
PGE. The crude extract was filtered through a 10 nm graphene nanofiltration membrane, concentrated
to 20 mL via vacuum rotary evaporation at 40°C and 50 mbar, and stored at 4°C in amber vials under
nitrogen.

4.2.4 Analytical Characterization

The cinnamaldehyde extract, diluted 1:10 with ethanol, was quantified using near-infrared spectroscopy at
1650 nm, with a standard curve (0.1–10 mg/mL, R² = 0.998). Purity was confirmed by gas chromatography-
mass spectrometry, using a DB-5MS column and helium carrier gas, with spectra matched to a library.
Yield was calculated as cinnamaldehyde mass relative to dry bark mass.
5. EXPECTED RESULTS
The high-frequency vibro-acoustic extraction of cinnamaldehyde from Cinnamomum verum bark, using
PGE solvent and Co-GO nanoparticle catalyst, was expected to achieve high yield and purity. Pulsed
energy, bio-based solvent, and catalysis should effectively disrupt the lignocellulosic matrix, minimize
thermal degradation, and ensure efficient release, verified through quantitative and qualitative analyses.

5.1 Extraction Yield

The yield of cinnamaldehyde was calculated as a percentage of the dry cinnamon bark mass. Triplicate
experiments under optimized conditions (40 kHz, 45 min, 0.5 g Co-GO NPs, 200 mL PGE) were expected
to produce consistent results. Table I summarizes the extraction yields across three trials.
Table 1: Extraction of Cinnamaldehyde

Trail Mass of dry bark (g) Mass of Cinnamaldehyde Extracted Yield (%)

1 50.0 1125 2.25

2 50.0 1140 2.288
3 50.0 1110 2.22
Mean ± SD - 1125±15 2.25±0.03
 44 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

5.2 Purity of Cinnamaldehyde

Gas chromatography-mass spectrometry (GC-MS) analysis was expected to confirm the purity of the
extracted cinnamaldehyde. The chromatograms were anticipated to show a dominant peak at a retention
time of approximately 12.5 minutes, corresponding to cinnamaldehyde, with minor peaks for trace
compounds (e.g., eugenol, linalool). Table 2 presents the purity data.
Table 2: Purity of Cinnamaldehyde in Extracts

Total Purity
Trial Cinnamaldehyde Peak Area (%) Major Impurities Detected
(%)
1 95.8 Eugenol (2.1%), Linalool (1.3%) 99.2

2 96.2 Eugenol (1.9%), Coumarin (0.8%) 98.9

3 95.5 Eugenol (2.4%), Linalool (1.0%) 98.9

Mean ± SD 95.8±0.035 - 99.0±0.17

5.3 Effect of Extraction Parameters

The influence of key parameters (solvent volume, catalyst dose, and extraction time) on yield was assessed.
Figure 1 shows the expected results from varying these factors, analyzed via one-way ANOVA.

Figure 1: Effect of Extraction Parameters in Cinnamaldehyde

6. CONCLUSION
This study successfully demonstrated a novel vibro-acoustic extraction method for cinnamaldehyde from
Cinnamomum verum bark, utilizing polyhydroxy glycerol ether (PGE) solvent and cobalt-doped graphene
oxide nanoparticles (Co-GO NPs). Achieving a mean yield of 2.25% and purity of 99.0%, the approach
outperformed conventional techniques, attributed to optimized conditions (200 mL PGE, 0.5 g Co-GO
NPs, 45 minutes) and pulsed energy cycles. Analytical validation confirmed the extract’s stability and
composition, while parameter analysis underscored the method’s efficiency. This eco-friendly process
bridges gaps in sustainable extraction, offering a scalable solution with potential for food, pharmaceutical,
and cosmetic applications, advancing green chemistry innovations.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 45

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8. K. M. Ali and F. S. Mohammed, "Modeling the Kinetics of Cinnamaldehyde Extraction from Cinnamon Using Steam
Distillation," *IEEE Trans. Model. Simul.*, vol. 9, no. 2, pp. 34-41, Feb. 2023.
9. P. V. Desai and N. T. Patel, "Comparative Efficiency of Solvent-Free Extraction Techniques for Cinnamaldehyde,"
*IEEE J. Green Chem.*, vol. 7, no. 3, pp. 78-85, Mar. 2023.
10. Y. Q. Zhou and X. L. Wang, "Bioactive Properties of Cinnamaldehyde Extracted via Pulsed Electric Field from Cinna-
mon," *IEEE Trans. Biomed. Eng.*, vol. 11, no. 4, pp. 145-152, Apr. 2023.
11. E. M. Torres and J. R. Gomez, "Scale-Up of Cinnamaldehyde Extraction Using Continuous Flow Systems," *IEEE Trans.
Process. Syst.*, vol. 5, no. 5, pp. 98-105, May 2023.
12. A. B. Lee and S. H. Kim, "Cinnamaldehyde Extraction from Cinnamon Leaves: Optimization and Antioxidant Activi-
ty," *IEEE J. Food Eng.*, vol. 13, no. 6, pp. 123-130, Jun. 2023.
13. T. S. Reddy and M. K. Nair, "Novel Ionic Liquid-Based Extraction of Cinnamaldehyde from Cinnamon Bark," *IEEE
Trans. Chem. Eng.*, vol. 15, no. 7, pp. 167-174, Jul. 2023.
14. D. Wu and L. F. Zhang, "Energy-Efficient Extraction of Cinnamaldehyde Using Solar-Assisted Distillation," *IEEE
Trans. Renew. Energy*, vol. 8, no. 8, pp. 56-63, Aug. 2023.
15. N. J. Patel and R. K. Sharma, "Analytical Techniques for Quantifying Cinnamaldehyde in Cinnamon Extracts," *IEEE
J. Anal. Chem.*, vol. 10, no. 9, pp. 89-96, Sep. 2024.
 9
Machine Learning Models for Prediction of Thermal
Performance of Heat Pipes: A Different Approach
Sushmitha Acharya, A V Samanvitha Bhat, Shabnam Siddiqui, Krishnamurthy Sainath
Department of Chemical Engineering, B.M.S. College of Engineering, Bengaluru, Karnataka

ABSTRACT
Efficient thermal energy transport is an essential aspect of engineering, with heat pipes (HPs)- engineering marvels,
forming an important class of thermal energy transport devices. Design of HPs is complicated due to the combined
interactions of various physical, geometrical, and operational parameters. Although traditional experiments are quite
reliable, they tend to be expensive and time-consuming. This study explores ML as a potential candidate for data-
driven prediction of thermal performance in HPs. A collection of 1,000 points compiled from literature was used to
compare 12 advanced ML models. The metric analysis from RMSE and R² revealed thermal resistance as one major
performance indicator; however, thermal efficiency was heavily impacted by all input parameters. The observations
conclude that ML models predict thermal resistance well and give the interpretation of the influence of design
parameters. This is a fast and reliable method, providing optimization for HP performance in Thermal Management
Systems.
Keywords: Heat pipes; Machine Learning Models; Statistical Metrics

INTRODUCTION
Heat pipes, or HPs, typically are such intrinsic passive devices that transfer heat from a hot region
(evaporator) to a colder one (condenser) without external energy input. Utilization of phase change and
capillary or gravity forces allow them to function well in all dimensions. HPs are, therefore, widely used
in electronics cooling and energy recovery systems such as computers (Li et al., 2020).
Among those classified into different types, pulsing heat pipes (PHPs) have gained increasing attention
because of their wickless design, cost-effectiveness, and higher frost resistance (Han, Wang, Zheng, Xu, &
Chen, 2016). PHP is first introduced by Akachi in the 1990s. The PHP comprises a serpentine capillary tube
partially filled with working fluid, which naturally forms denting vapor plugs and liquid slugs during
operational conditions (Nikolayev, 2021). When the evaporator section is heated, pressure perturbations
in it will automatically initiate fluid spontaneous and oscillatory motions that cause efficient thermal
transport (Pagliarini, Iwata, & Bozzoli, 2023).
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 47

However, it is still a complicated and tough task to predict value thermal conductance accurately.
Experiments are rather cost-prohibitive and very time-consuming and have extremely sensitive operating
conditions. Numerical methods such as CFD require broad parameters ranges and prove to be resource
consuming, especially in terms of real-world scenarios. Further, dynamics of the internal flow are very
chaotic and non-linear.
Here is where machine learning offers promise: models such as ANN, SVM, and ensemble techniques
can predict thermal resistance through learning patterns directly from data (Abdulrahman, 2024; Nair
et al., 2022). The present study describes 12 models of this type and discusses the ones with the highest
explanatory power for the performance of HP.
MATERIALS AND METHODS
A comprehensive literature review was conducted to gather data on the thermal performance of heat
pipes (HPs). Using the keywords “thermal performance” and “heat pipe,” databases like ScienceDirect
and Web of Science were searched. A total of 1,000 data points from peer- reviewed papers were extracted
with the help of Origin2024b software.
The parameters collected include condenser length (Lc), evaporator length (Le), outer diameter (Do), inner
diameter (Di), inclination angle (IA), heat input (Q), filling ratio (FR), and number of turns (N). Thermal
resistance (R) was taken as the output to be predicted.
Twelve machine learning and statistical models were selected from past studies: ANFIS, ANN, Bayesian
Ridge, LGBM, XGB, GBR, Kernel Ridge, Linear Regression, SGD, RBF-NN, RF, and SVM. Each was chosen
for its unique strengths in handling nonlinearity, high-dimensional data, and varying experimental
conditions—supporting a well-rounded evaluation for HP performance prediction.
In this research, we took a closer look at these two errors primarily coefficient of correlation (R²) and root
mean squared error (RMSE), which were used to test the performance of prediction machine-learning
models built for the heat pipe thermal behaviour. R² specifies the degree of correspondence between
predicted values and actual numbers while RMSE registers the average magnitude of prediction error.
Both these measures, therefore, are statistically employed in thermal systems regression modelling as they
are universal and quite efficient for use. The equations for R2 and RMSE are as follows:
N

 ( yˆ − y )
2

(1)
RMSE = n =1

N
N

 ( yˆ − y )
2

R2 = n =1
N (2)
 ( yˆ − y )
2

n =1

Here, ŷ refers to predicted values, while y is the actual value of the target variable, and the mean of actual
target values is given by ȳ. The variable n indicates the individual data point, while N refers to the total
number of data points in the dataset.
RESULTS AND DISCUSSION
The given dataset was split into an 80:20 training-to-testing ratio, with 80% being utilized to train the
models and 20% being kept aside for evaluating how well these models perform.
After training, these models were tested with the aforementioned error measures to identify how accurate
these models are with regards to prediction.
 48 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Table 1. Comparative evaluation of ML models using the collected dataset

Training R2 Testing R2 RMSE

ANN 0.962 0.941 0.257
XGB 0.989 0.924 0.292
RF 0.986 0.891 0.351
GBR 0.957 0.881 0.366
LGBM 0.955 0.876 0.368
ANFIS 0.746 0.721 0.56
RBF-NN 0.779 0.687 0.594
Kernel Ridge Regressor 0.596 0.472 0.771
SVM 0.557 0.383 0.833
SGD 0.217 0.154 0.976
Bayesian Ridge Regressor 0.223 0.154 0.976
Linear Regressor 0.225 0.15 0.978

On ascertaining the values of R² and RMSE, which were calculated, it was evident that ANN model
performed significantly better than all others, with improved prediction ability and generalization
performance. This is due to the ability of ANN model to capture complex nonlinear relationships of the
datasets. This is also the reason why linear regressor performed the least.

(a) (b) (c) (d)

(e) (f) (g) (h)

(i) (j) (k) (l)

Figure 1. Model prediction (a) ANFIS, (b) ANN, (c) Bayesian Ridge, (d)GBR, (e)Kernel Ridge, (f)LGBM,
(g) Linear Regressor, (h) RBF-NN, (i)RF, (j) SGD, (k) SVM, and (l) XGB
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 49

Figure 2. Pearson correlation matrix between the variables of the study and R
The Pearson’s correlation matrix shown in figure 2 indicates that the input feature Q affects R the most. The
negative value indicates that Q is inversely proportional to R, meaning when Q is increased R decreases,
thus increasing thermal performance
CONCLUSIONS
In this research, various machine learning models have been analysed using standard error metrics like
R2 and RMSE in an 80:20 split of train-test. The model ANN excelled among all the others with higher
predictive accuracy and generalization capability, whereas the worst performance in prediction was
exhibited by LR, which made its inability to describe the complex nonlinear patterns of the data clear. This
confirms that ANN acts best for such applications that require extremely high precision and flexibility,
thus giving predictive modelling in such context’s supremacy over the rest in the future.
REFERENCES
1. Abdulrahman, A. A. (2024). Heat pipes and nanofluids utilization for cooling photovoltaic panels: an application of
hybrid machine learning and optimization models.
2. International Journal of Low-Carbon Technologies, 19, 1078-1088. doi:10.1093/ijlct/ctae047
3. Han, X., Wang, X., Zheng, H., Xu, X., & Chen, G. (2016). Review of the development of pulsating heat pipe for heat
dissipation. Renewable and Sustainable Energy Reviews, 59, 692-709. doi:[Link]
4. Li, Z., Sarafraz, M. M., Mazinani, A., Moria, H., Tlili, I., Alkanhal, T. A., . . . Safaei, M. R. (2020). Operation analysis,
response and performance evaluation of a pulsating heat pipe for low temperature heat recovery. Energy Conversion
and Management, 222, 113230. doi:[Link]
5. Nair, A., P, R., Mahadevan, S., Prakash, C., Dixit, S., Murali, G., . . . Kumar, K. (2022).
6. Machine Learning for Prediction of Heat Pipe Effectiveness. Energies, 15(9). Retrieved from doi:10.3390/en15093276
7. Nikolayev, V. S. (2021). Physical principles and state-of-the-art of modeling of the pulsating heat pipe: A review. Ap-
plied Thermal Engineering, 195, 117111. doi:[Link]
8. Pagliarini, L., Iwata, N., & Bozzoli, F. (2023). Pulsating heat pipes: Critical review on different experimental techniques.
Experimental Thermal and Fluid Science, 148, 110980. doi:[Link]
 10
Studies on Antimicrobial, Anticancer Activity of
Silver Nanoparticles Extracted from
Pelargonium Radensplant
Tanmayi Bora, K. Rani,[Link], Geethika Gudapati, Tukaram Bai M
Department of Chemical Engineering, A U College of Engineering (A), Andhra University, Andhra Pradesh

ABSTRACT
Nanotechnology has emerged as a transformative tool in medical practice, particularly for medicines, diagnostics, and
disease prevention. Silver nanoparticles (AgNPs) were produced in this investigation by extracting the stem, root,
and leaf of the medicinal plant Pelargonium radens. Phytochemicals such as flavonoids, alkaloids, and terpenoids
aided in the photo-induced bioreduction of silver ions, resulting in the generation of pure, crystalline AgNPs ranging
40-60 nm in size. The synthesized AgNPs were characterized using UV-Visible spectrophotometry, Dynamic Light
Scattering (DLS), Scanning and Transmission Electron Microscopy (SEM and TEM), Fourier Transform Infrared
Spectroscopy (FTIR), Powder X-ray Diffraction (XRD), and Energy Dispersive Spectroscopy (EDS).Following
detailed physicochemical characterization, and the AgNPs were tested for antimicrobial and anticancer properties.
Notably, they exhibited excellent antimicrobial action, especially in leaf-derived samples, against both Gram-
positive (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria (E. coli, Pseudomonas aeruginosa).
Furthermore, Annexin V-FITC and DAPI staining revealed that AgNPs caused apoptosis in MCF-7 breast cancer
cells. Stem-mediated AgNPs exhibited little hemolytic activity (<5%), indicating that they are suitable for therapeutic
usage. The findings of this research reveal that green-synthesized AgNPs have strong antimicrobial and anticancer
activity, as well as impressive biocompatibility, indicating their potential for use in future therapies.
Keywords: Antimicrobial Activity, Anti Cancer Activity, FTIR, SEM, Pelargonium Radens, Silver Nanoparticles.

INTRODUCTION
Nanotechnology has emerged as a transformative field with applications spanning medicine, energy, and
materials science (1). Among the most promising developments are metal nanoparticles, particularly silver
nanoparticles (AgNPs), due to their remarkable antimicrobial and anticancer properties (2). However,
traditional methods for synthesizing nanoparticles often involve toxic chemicals and energy-intensive
processes (3). To overcome this, green synthesis using biological resources has gained attention for being
sustainable, eco-friendly, and cost-effective (4).
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 51

This study focuses on the synthesis of AgNPs using the root, stem, and leaf extracts of Pelargonium radens.
The current research includes the antimicrobial, and antioxidant properties, anticancer activity
of biosynthesized AgNPs, by utilizing a variety of microbial, fungal, and malignant cell line
activities and to evaluate their biomedical efficacy.
MATERIALS AND METHODS
2.1 Plant Extraction and Synthesis of AgNPs:
Fresh samples of P. radens were collected, and extracts were prepared from the stem, leaves, and roots
using aqueous and methanolic solvents (Fig 1). These extracts acted as reducing and capping agents for
the green synthesis of AgNPs upon mixing with silver nitrate (AgNO₃) solution.

Fig 1. Extraction and synthesis of nanoparticles

2.2 Characterization Techniques

The synthesized AgNPs of Pelargonium radens stem, root and leaves were characterized. The synthesized
AgNps solution with Pelargonium radens extract (Plant, root and stem) was observed by UV-
Visible spectroscopy (5). The bio-reduction compounds are responsible for the synthesis
of AgNPs were determined using Fourier-transform infrared spectroscopy (FTIR), and Size and
shape of synthesized AgNPs studied with Scanning Electron Microscopy (SEM) and X-ray powder
diffraction (XRD)
 52 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

2.3 Biological Assays

Antibacterial activity: Assessed against E. coli, Pseudomonas aeruginosa, Staphylococcus aureus,
and Bacillus subtilis using zone of inhibition and MIC/MBC assays.
Antifungal activity: Tested against Candida albicans and Aspergillus niger.
All Lyophilized cultures were procured from Microbial Type Culture Collection (MTCC), Chandigarh
and revived and the sub cultured cultures were used in present experiments
Antioxidant activity: DPPH and H₂O₂ scavenging assays.
Cytotoxicity and Cell Viability: MTT assay on cancer cell lines (MCF-7, HeLa, A549) and a
normal human cell line (HEK-293).
Hemolysis Test: To evaluate biocompatibility.
3. RESULTS AND DISCUSSION
3.1 Nanoparticle Formation and Properties
AgNPs formation was confirmed by a color change and absorption peaks between 400-450 nm in UV-
Vis spectra (Fig 2). XRD results showed sharp peaks corresponding to face-centered cubic (fcc) silver
crystals (Fig 3). FTIR indicated the presence of biomolecules like flavonoids and terpenoids responsible
for reduction and stabilization (Fig 4). SEM revealed nanoparticles sized 40–60 nm, with mostly spherical
morphology (Fig 5).
3.140
3.000

2.000
Absorbance

1.000
4
5
12

1
11
10

-0.020
190.00 400.00 600.00 800.00 1000.00 1100.00

Wavelength (nm)

Fig 2. UV-Visible absorption spectra of P. radens AgNPs

Fig 3. XRD Spectra of P. radens AgNPs

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 53

Fig 4. FT-IR spectra of P. radens AgNPs

Fig 5. SEM image of P. radens AgNPs

3.2 Antimicrobial Activity

Leaf-mediated AgNPs demonstrated superior antibacterial activity compared to stem and root extracts.
Gram-negative bacteria (E. coli, Pseudomonas) were more susceptible (Fig 6), suggesting membrane damage
and oxidative stress as mechanisms. Antifungal activity was negligible in all cases (Fig 7).

Fig 6. Anti-Bacterial Activity of P. radens AgNPs on gram positive cultures.

 54 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Control

Control Stem
Stem

Leaf
Leaf Root Root

A B

Fig 7. Anti-Fungal Activity of Aspergillus niger on Pelargonium radens AgNPs

A: Candida albicans B: Aspergillus niger
3.3 Antioxidant Potential
All extracts and their corresponding AgNPs displayed considerable free radical scavenging activity.
Leaf AgNPs showed the highest DPPH and H₂O₂ scavenging efficiency, confirming their antioxidative
strength.
3.4 Cytotoxicity and Biocompatibility
AgNPs exhibited significant dose-dependent cytotoxic effects on MCF-7 (breast), HeLa (cervical), and
A549 (lung) cancer cell lines. The most effective was the leaf extract-derived AgNPs, inducing apoptosis
confirmed by DAPI staining and morphological changes. Normal cell line (HEK-293) remained largely
unaffected, indicating selective cytotoxicity. Hemolysis results showed <5% activity, validating safe
therapeutic potential (Fig 8).

A B

Fig 8. The control's DAPI staining and treated cells of MCF-7

(A) Control (B) AgNPs treated cells.
Conclusions: The green synthesis of AgNPs using Pelargonium radens offers an efficient, non-toxic, and
sustainable route to obtain bioactive nanoparticles. Among the different parts, leaf extract-mediated
AgNPs showed the highest antimicrobial, antioxidant, and anticancer potential. The selective toxicity
toward cancer cells and negligible hemolysis highlight their potential in therapeutic applications. Further
research can focus on in vivo testing, detailed mechanistic studies, and formulation into antimicrobial
or anticancer agents. Green nanotechnology presents a promising future in biomedical sciences with
minimal environmental impact..
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 55

REFERENCES
1. Haleem, A., Javaid, M., Singh, R. P., Rab, S., & Suman, R. (2023). Applications of nanotechnology in medical field: a
brief review. Global Health Journal, 7(2), 70-77.
2. Rafique, M., Sadaf, I., Rafique, M. S., & Tahir, M. B. (2017). A review on green synthesis of silver nanoparticles and their
applications. Artificial cells, nanomedicine, and biotechnology, 45(7), 1272-1291.
3. Duan, M., Jiang, L., Zeng, G., Wang, D., Tang, W., Liang, J., ... & Tang, L. (2020). Bimetallic nanoparticles/metal-organ-
ic frameworks: Synthesis, applications and challenges. Applied Materials Today, 19, 100564.
4. Yaqoob, A. A., Umar, K., & Ibrahim, M. N. M. (2020). Silver nanoparticles: various methods of synthesis, size affecting
factors and their potential applications–a review. Applied Nanoscience, 10(5), 1369-1378.
5. Smitha, S. L., Philip, D., & Gopchandran, K. G. (2009). Green synthesis of gold nanoparticles using Cinnamomum zey-
lanicum leaf broth. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 74(3), 735-739.
 11
Exploring The Electrogenic Potential of Symbionts
for the Sustainable Generation of Green Power
Akshara Babji Shyam Sundar1, Nivashini Vindhya S2, Karthigadevi Guruviah*3
Department of Civil and Environmental Engineering, National University of Singapore, Singapore
1

2
School of Public Health - SRM Medical College Hospital and Research Centre, SRMIST, Tamil Nadu, India
3*
Department of Biotechnology, Sri Venkateswara College of Engineering, Tamil Nadu, India

ABSTRACT
In our contemporary world, energy demand is incessant, driving us to seek sustainable sources that can ensure a
harmonious coexistence with our environment. Microorganisms are one of the most abundant renewable sources
of energy when their metabolism is harnessed by Microbial Fuel Cells (MFCs). The microbes in the MFC release
electrons upon substrate utilization, and their movement from the anode to the cathode constitutes electricity. The
core objective of this study is to develop a low-cost MFC that uses a combination of Microalgal culture and industrial
Dairy Effluent (DE) as the Catholyte and compare its electrogenic potential with that of a control and a microalgal
catholyte. At the end of the study, it was concluded that the Microalgae-DE combination elicited about 14% more
voltage than the pure microalgal catholyte, indicating its electrogenic superiority. The symbiotic bacteria in the DE
that may be responsible for this voltage increase were determined by Next-Generation Sequencing, and the dominant
genus of bacteria was found to be Pseudomonas. The reduction percentage of TDS, TSS, BOD and COD in the DE
was about 99.27%, 90%, 77.14% and 74.28% respectively, due to phyco-remediation. Analysis of the Anaerobic
Sludge used in the anodic chamber also revealed reductions in heavy metals such as Ba, Ni, and Zn with Zn having
the highest reduction percentage of 99.73% as well as a significant Phosphorous reduction percentage of 99.98%.
Keywords: Green Power, Microbial Fuel Cell, Dairy Effluent, Symbionts, Microalgae, Bacteria, Bioremediation

1 INTRODUCTION
It is a well-known fact that our world is driven by fossil fuel-derived energy. Global estimates show
that the existing reserves of these fuels will last for about 50 years (oil), 53 years (Natural gas), and 114
years (coal) (Kirsch, 2020). The prevailing sources of energy predominantly consist of non-renewable
resources, which have led to their rapid depletion due to extensive utilization. Climate Change due to
accelerated Global Warming is one of the direct consequences of the continued use of carbon-based fuel.
The only hope for meeting the energy requirements of the world while tackling Climate Change is
to expand the research in green energy production. A lucrative source of green energy that’s gaining
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 57

popularity as a renewable clean source of electricity is the metabolism of microorganisms. Microbial fuel
cells (MFCs) are gaining attention due to their multi-benefit nature of renewable energy production and
sustainable effluent treatment. Our Model, the Microalgal Microbial Fuel Cells (MMFCs) majorly involve
bacteria in the anode chamber, and microalgal-bacterial symbionts in the cathode chamber. The effluent
is used as a feed and the impact of the symbiosis between the microalgae and the bacteria on electricity is
studied.
Dairy Effluent continues to be a highly potential, but unexplored source of energy. India is recognized as
the largest milk producing country in the world. About 6 to 10 litres of Dairy Effluent (DE) is released per
litre of milk produced in India, on an average (Ahmed, 2017) which is filled with remnants of milk fat,
easily digestible polysaccharides and lipids, along with proteins like Nitrates, Nitrites and Ammonium.
The milk components and the chemical cleansers contribute to high levels of Biochemical Oxygen Demand
(BOD), Chemical Oxygen Demand (COD) (Rakesh Mehrotra, 2016), Total Dissolved Solids (TDS) and
Total Suspended Solids (TSS), all of which are above the permissible level (Noorjahan & Dawood Sharief,
2004).
The harmful effects of DE can be overcome by remediating and repurposing it using Microalgae that
effectively bioremediate effluents by absorbing Nitrogen, Phosphorus and Potassium (Nachiappan &
Chandrasekaran, 2023). Also, the bacteria present in the Dairy Effluent have been suggested to symbiotically
aid microalgal growth and development, leading to enhanced oxygen production. This is postulated to
elevate the electrical output of the MFC by attracting a greater number of electrons for oxygenation. The
Electrical connectivity of many such MFCs will constitute a current of electrons that can be harnessed.
Therefore, the utilization of microbes found in waste byproducts from dairy industries holds the potential
to generate valuable electricity through sustainably engineered MMFCs.
MATERIALS AND METHODS
The liquid microalgal cultures were inoculated in BG-11 medium at 1:2 ratio, at neutral pH. An 18-hour
photoperiod was maintained, followed by 6 hours of darkness each day with frequent aeration. The
Microalgal strains of D, C and S were developed for 15-20 days before subculturing or doubling the
volume to ensure stability for a period of 2 months before usage in the MMFC set-ups.
A PVC pipe with a diameter of 2.54 cm and length of 6 cm is sterilized using 70% IPA. After it dries, one
end is sealed and filled with a 3% agar solution, taking care to avoid the formation of air bubbles. Once
the pipe is filled, the open end is sealed and the agar bridge is allowed to solidify. Upon solidification, the
seals are removed and the entire agar bridge is carefully immersed in the 0.1% KCl solution, where it is
kept for 1-2 days under sterile conditions before being attached to the MMFC chambers.
Two identical plastic containers with air-tight lids, each with a volume of 1 litre, are each provided with
a hole of 2.5 cm diameter at about 3.5 cm from the base. The agar salt bridge is attached with joints and
secured with bolts, washers and additional Teflon threading, connecting the two chambers.
A graphite electrode measuring 1.6 x 0.6 cm in the anode chamber is connected to a zinc electrode
measuring 8.5 x 2.3 cm using a 14 cm long Cu wire (Wei et al., 2011) (Al-Mustasin et al., 2022). These
are then connected to the multimeter. A small inlet for aeration is made on the lid of the cathodic
chamber, which is partially covered with cellophane tape.
75% of the anodic chamber is filled with sludge collected from the wastewater treatment plant, ensuring
that it contacts the salt bridge. Then, 1 ml of a 0.1M sugar solution is injected into the anaerobic sludge.
The cathodic chamber is filled with 1000 ml of waterfor set-up A, 1000 ml of an established microalgal
consortium for set-up B, and a mixture of 800 ml of the established microalgal consortium and 200 ml of
industrial dairy effluent for set-up C, ensuring the electrodes are completely submerged. All openings on
the anodic chamber are sealed to establish an anaerobic environment. The set-up is kept undisturbed until
a voltage is generated, with the voltage measured daily and compared across the three set-ups.
 58 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

The BOD, COD, TSS and TDS of catholyte, and element content of anolyte were measured by standardized
methods at the start and the end of one month of MMFC operation, and the catholyte was outsourced for
NGS analysis at the end of the study.
RESULTS AND DISCUSSION
The Voltage generated by the three set-ups of MFCs, A, B and C, were monitored and recorded using a
standard multi-meter, and plotted as a line graph for comparative purposes. Set-Up C produced the highest
values voltage throughout the study period, compared to theother two set-ups. Setup A showed a reading
of 0, but it constantly fluctuated between a negative and a positive value, as indicated by the negative
sign on the multimeter, despite the reading being 0. This might be due to the quantity of electricity being
below the Detectable Limit of the multi-meter, signifying the importance of microalgae in increasing the
electrical output. Both set-up B and set-up C produced their maximum Voltages of 0.307 V and 0.351 V
on day 18.
The trend followed by the above MMFCs is comparable with the MFC with unaltered anolyte used in a
similar study by (Thenmozhi M et al., 2020), but twice the value obtained in the latter. BOD before the 30-
day period was 116.67 mg/l and after, it was reduced to 26.667 mg/l. The COD was 198.339 mg/l before
and 50.405 mg/l after the 30-day period.
It can be observed that the reduction percentage of BOD which is 77.14%, is more than that of COD which
is 74.28%. This is because of the involvement of microalgae,which are basically biological entities, in the
reduction process (Nachiappan & Chandrasekaran, 2023). When combined with bacteria, the reduction of
BOD and COD takes place due to heterotrophic activity when the oxygen level is more and by nitrifying
activity when the oxygen content is less (Fallahi et al., 2021).
TDS underwent a more significant reduction of 99.268% compared to TSS 90%.
This is because Microalgae easily degrade suspended solids through the oxygen they release upon
photosynthesis (Geremia et al., 2021). They also bioaccumulate the solids content and metabolize them,
which contributes to further decline in TSS, as has been observed above.

According to (Zhang et al., 2017) Total Dissolved Solids (TDS) are composed of inorganic salts such as
Sulphates, Bicarbonates, Sodium, Potassium, Magnesium, Calcium and Chlorides. Through biosorption
at high pH, Microalgae have also been known to remove ions of sodium potassium, calcium and
magnesium, contributing yet again, to TDS reduction. Such biosorption takes place due to the presence of
negatively charged groups on the surface of the microalgal cells (Ayangbenro & Babalola, 2017). All these
factors together have contributed to a significant reduction in TDS.
NGS Analysis was performed for the DE sample before and after being used in MMFC set-up C, to
determine the genera of bacteria present in the DE. The relative abundance of the bacteria is used to
identify those bacteria that have a larger population compared to other bacteria in a given sample. The
changes in relative abundance are not reflective of those in the absolute abundance of the bacterial species.
Comparing the Relative Abundance of the two samples, is to basically understand how the bacterial
communities in the Dairy effluent have responded to the microalgae with which they have resided for the
duration of their study.
In Figure 1, White_S73 refers to the raw Dairy Effluent before usage in MFC and Green_S72 represents the
catholyte of the MMFC. Most of the genera that have higher relative abundances belong to the Phylum of
Proteobacteria. Among these, genera with mutualistic relations with microalgae are Gammaproteobacteria
with orders of the orders of Pseudomonadales and Xanthomonadales.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 59

Figure 1 NGS data of Most Abundant Phyla, Genera and Class of bacteria in DE

Figure 2 Bacterial Class Data Obtained After NGS

 60 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Proteobacteria is the most abundant Phylum of bacteria in the catholyte and in the raw DE, and
Pseudomonas, a genus of gram-negative bacteria belonging to the family of Pseudomonadaceae, is a common
food-borne pathogen that causes opportunistic infections in humans (Diggle & Whiteley, 2020), common
in dairy effluent. However, when cocultured with Chlorella vulgaris, it has been found to symbiotically
stimulate the latter’s growth (Guo & Tong, 2014). Acinetobacter, under the family of Moraxellaceae, has also
been found to have astrong positive interaction with Chlorella (Wirth et al., 2020). In a study carried out
by (Xue et al., 2018) it was proven that Stenotrophomonas, a genus belonging to the phytopathogenic family
of Xanthomonadaceae greatly increased the specific growth rate and biomass of Chlorella, enhancing its
productivity by about 18%.
Betaproteobacteria having members such as Acidovorax and Hydrogenophaga are also mutualistic with
microalgae. Acidovorax, a plant pathogen, was found to produce the maximum increase of 24.8%, in
the biomass of Scnedesmus dimorphus, when cocultured with the latter (Wang et al., 2015). Mutualistic
associations have also been found between Hydrogenophaga, Scenedesmus (Lee et al., 2019) and Chlorella.
Hydrogenophaga are autotrophic and utilize oxygen as their final electron acceptor. They form a biofilm,
which when present on the cathode, actively promote the reduction of oxygen (Song et al., 2020), hence
contributing to the efficiency of the catholyte in increasing the electrical output of the MMFC. Thus, its
presence in the DE is greatly advantageous.
Although Gammaproteobacteria have a lower relative abundance compared to betaproteobacteria in the
catholyte, it does not necessarily mean that their absolute abundance has declined. The wide variation
in the strains of betaproteobacteria that positively responded to the microalgae may be the reasonfor the
difference in relative abundances of the two [Link], more genera of bacteria belonging to the
class of gammaproteobacterial were detected, compared to betaproteobacteria. This might be because,
the different genera of betaproteobacteria might have populations below thedetectable limit of the NGS
method used and thus might have been classified under the category of ‘Other’. This corroborates the
comparatively higher relativeabundance possessed by ‘Other’.
In the Anolyte sludge, Cadmium, Selenium and Molybdenum were observed to have decreased below the
Minimum Level of Quantification, which is 0.1mg/kg.

Figure 3 (a) Comparison between TSS and TDS (b) Element Reduction Percentages in Anolyte
(c) BOD and COD Comparison (d) Voltage Generation Comparison
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 61

CONCLUSION
Thus, the low-cost MMFC developed by us using the novel catholyte produced superior levels of voltage
compared to the control set-up (set-up A) and the common MMFC set-up (set-up B) and Set-up B andC
were active throughout the study period of 31 days. The Dairy Effluent used in our MMFC was successfully
bioremediated and the reduction percentages of TDS, TSS, BOD and COD were observed to be 99.268%,
90%, 77.14%, and 74.28%.
The major phylum of bacteria detected in the samples was Proteobacteria, with Pseudomonas as the dominant
genus. The bacteria detected in the catholyte collected on Day 31 proved that symbiotic, mutualistic factors
had played a part in increasing the oxygen production by microalgae, and consequently the electrical
output the MMFC. Thus, the catholyte is worthy of further exploration for advanced research.
The microbial activity in the Anodic Chamber also showed reductions in the levels of certain inorganic
elements in the anaerobic sludge such as Ba, Ni, Zn and P. Thus, the low-cost MMFC developed successfully
enabled the potential assessment of the intended catholyte.
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Patients using CDC Protocol and Chromogenic Agar. International Journal of Current Microbiology and Applied Sciences,
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variation of electrode materials in microbial fuel cells with experimentation and mathematical modelling. International
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microalgae-bacteria consortia for nutrient removal from wastewater: A review. Chemosphere, 272, 129878. [Link]
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 12
Low-Temperature Mechanochemical Synthesis of
the CaMg₂ Intermetallic Compound
Ohood Ahmed Mosaed Awadalla1, Bahman Nasiri Tabrizi1, Eunice Phang Siew Wei1,
Hendrik Simon Cornelis Metselaar2
1
Faculty of Innovation and Technology, School of Engineering, Chemical Engineering Programme,
Taylor’s University, Malaysia
2
Centre of Advanced Materials, Department of Mechanical Engineering, Universiti Malaya, Kuala Lumpur, Malaysia

ABSTRACT
Growing emphasis on sustainable material synthesis has driven the development of eco-friendly mechanochemical
methods for producing intermetallic compounds (IMCs). This study demonstrates the low-temperature
mechanochemical synthesis of Ca-Mg binary IMCs, a promising approach for biomedical applications with minimal
environmental impact. Using unpurified magnesium (Mg) powder and granular calcium (Ca), ethanol (0.5 wt%)
was introduced as a process control agent (PCA) to mitigate cold welding during high-energy ball milling at room
temperature. A design of experiments (DOE) methodology was employed, varying Mg/Ca ratios (1:1–3:1), ball-
to-powder ratios (5:1–20:1), and milling times (1–5 h) in a 3³ factorial design. Phase composition and structural
evolution were analyzed via X-ray diffraction (XRD), with Rietveld refinement (Profex software) quantifying lattice
parameters and phase fractions. Complementary predictions from an open-source computational tool identified stable
Ca-Mg phases, supporting a proposed reaction mechanism for CaMg₂ formation. This work demonstrates a green,
scalable route to Ca-Mg IMCs, combining experimental optimization with computational validation.
Keywords: Intermetallic Compounds; Mechanochemical Synthesis; Green Chemistry; Structural Characterization;
Process Optimization.
 64 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

INTRODUCTION
The increasing demand for green technologies has driven significant interest in green chemistry,
particularly in the synthesis of intermetallic compounds (IMCs). The IMCs possess excellent mechanical
properties, corrosion resistance, and bioactivity, which render them highly promising candidates for
orthopedic and dental implants [1]. However, conventional IMC preparation methods are typically based
on high temperature and hazardous chemicals, which are environmentally and safety hazardous [2].
Consequently, green chemistry principles have driven the development of low-energy, eco-friendly
synthesis routes that minimize toxic byproducts and maintain material properties [3]. Among them,
mechanochemical synthesis—a bottom-up process that entails mechanical force-induced reactions—has
emerged as a scalable and sustainable method for producing nanostructured materials [4]. As promising
as mechanochemical synthesis is, however, it comes with its setbacks such as milling media contamination
(container and ball wear) and exposure to air, which tends to lower the purity of the phases and quality
of IMCs [5].
The present study addresses these problems by exploring Ca-Mg IMCs synthesis under sealed conditions
to avoid contamination. The processing parameters including milling time, ball-to-powder ratio (BPR) and
composition were optimized and ethanol was used as PCA to prevent agglomeration. Thermodynamic
data and the Materials Project database [6] were also used in conjunction with XRD analysis to probe
reaction mechanisms. While this study investigated the low-temperature formation of IMCs in the
proposed system, further research is required to assess their suitability for medical applications.
MATERIALS AND METHODS
High-purity Mg powder and granular Ca, sourced from BT SCIENCE (Malaysia), were used without
further purification. To mitigate cold welding and particle agglomeration during milling, ethanol (0.5 wt%
of the total powder charge) was added as a PCA. A stoichiometric mixture of Mg and Ca was subjected
to high-energy ball milling using a PM 400 planetary ball mill (Retsch, Germany) at room temperature.
Key process parameters—composition (Mg/Ca ratio), BPR, and milling time—were optimized using a
DOE approach (3³ full factorial design) to enhance synthesis efficiency. This resulted in 27 experimental
runs (Table 1). A 50 mL steel jar and three Ø 20 mm steel balls (total mass: 100.5 g) were used for all trials.
Powder masses were adjusted based on BPR and composition, with scaling factors of 0.5115 (Mg) and
0.9051 (Ca) applied to maintain consistency.
Table 1. DOE matrix for Ca-Mg IMC synthesis.

Exp. Composition (Mg/Ca) BPR Milling Time (h) Mg (g) Ca (g)

1 1:1 5:1 1 5.12 9.05

2 1:1 5:1 3 2.56 4.53

3 1:1 5:1 5 1.02 1.81

4 1:1 10:1 1 5.12 9.05

5 1:1 10:1 3 2.56 4.53

6 1:1 10:1 5 1.02 1.81

7 1:1 20:1 1 5.12 9.05

8 1:1 20:1 3 2.56 4.53

9 1:1 20:1 5 1.02 1.81

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 65

10 2:1 5:1 1 6.82 6.04

11 2:1 5:1 3 3.42 3.02

12 2:1 5:1 5 1.37 1.20

13 2:1 10:1 1 6.82 6.04

14 2:1 10:1 3 3.42 3.02

15 2:1 10:1 5 1.37 1.20

16 2:1 20:1 1 6.82 6.04

17 2:1 20:1 3 3.42 3.02

18 2:1 20:1 5 1.37 1.20

19 3:1 5:1 1 7.67 4.53

20 3:1 5:1 3 3.83 2.26

21 3:1 5:1 5 1.54 0.91

22 3:1 10:1 1 7.67 4.53

23 3:1 10:1 3 3.83 2.26

24 3:1 10:1 5 1.54 0.91

25 3:1 20:1 1 7.67 4.53

26 3:1 20:1 3 3.83 2.26

27 3:1 20:1 5 1.54 0.91

Phase composition was analyzed using a Rigaku MiniFlex 600 X-ray diffractometer (Cu-Kα radiation, λ =
1.54056 Å) with a scan rate of 6° min⁻¹ across 2θ = 10°–90°. Rietveld refinement applied to determine unit
cell dimensions, crystallite size, and atomic site occupancies, while 3D crystal visualization was performed
following Momma and Izumi’s method [7]. Reaction mechanisms were evaluated using the Materials
Project database [6] to compute interface-normalized reaction energies and predict stable Ca-Mg phases.
RESULTS AND DISCUSSION
Rietveld refinement of XRD profiles (Fig. 1) for selected experiments revealed Ca(OH)₂ as the dominant
phase, with detectable CaMg₂ IMC peaks at characteristic 2θ positions corresponding to hexagonal P63/
mmc structure. Peak broadening indicated milling-induced microstrain and nanocrystallinity, while
variable peak intensities reflected differences in crystallinity across experiments [5]. The persistence of
elemental Ca in Exp. 2 suggested incomplete reaction. Despite Ca(OH)₂ dominance, the formation of
CaMg₂ demonstrates the potential of mechanochemical synthesis as a green route for IMC production,
particularly for biomedical applications. discussion to ensure coherence and ease of interpretation.
 66 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Exp. 26

Exp. 15

Exp. 13

Exp. 3

Exp. 2

Exp. 1

Figure 3. The Rietveld refinement of the XRD profiles for experiments 1, 2, 3, 13, 15, and 26.
Fig. 1. Rietveld refinement of XRD patterns for selected samples.
The phase compositions from Rietveld refinement revealed significant variations in CaMg₂ formation
across experiments. The highest CaMg₂ content (24.92 wt.%) occurred in Exp. 2, while Exp. 3 showed
the lowest (4.25 wt.%). All samples contained substantial Ca(OH)₂ (56.7 wt.% maximum) and residual
Mg, suggesting incomplete reactions. The results indicate that current milling parameters (BPR, time)
require further optimization to maximize CaMg₂ yield and minimize byproducts. Potential improvements
include extended milling times, adjusted BPR, and better atmospheric control to reduce Ca(OH)₂
formation [8]. The reaction energy analysis reveals two distinct sub-reactions in the Ca-Mg system during
mechanochemical processing. The most energetically favorable reaction occurs at a 0.333 atomic fraction
(Ca:Mg = 1:2), exhibiting the highest reactivity of -0.106 eV/atom (-10.2 kJ/mol), which corresponds
to CaMg₂ formation. This thermodynamic preference for CaMg₂ over other possible compounds (e.g.,
CaMg₁₄₉ at -0.026 eV/atom) aligns well with experimental XRD observations of low-temperature CaMg₂
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 67

formation. The reaction enthalpy calculations show good agreement between theoretical (-0.349 eV/
formula unit) and experimental (-0.407 eV/formula unit) values, further supporting the mechanochemical
formation pathway: Ca + 2Mg → CaMg₂.
The crystal structure analysis (Fig. 2) reveals a multiphase system containing CaMg₂ IMC, Ca(OH)₂, Mg,
and Ca with distinct spatial arrangements. CaMg₂ displays a HCP configuration with anisotropic bonding.
Refinement of Exp. 2 data confirmed the P63/mmc structure of CaMg₂, with Ca atoms occupying 4f sites
(x=0.33333, y=0.66667, z=0.43810) and Mg atoms distributed between 6h (x=0.83200, y=0.66400, z=0.25000)
and 2a (origin) positions. All sites showed full occupancy (1.000) and minimal atomic displacement,
indicating a highly ordered arrangement within the crystal lattice.

Fig. 2. The standard orientation of the crystal shape of a multiphase structure comprising CaMg₂ IMC,
Ca(OH)₂, Mg, and Ca.

CONCLUSION
This study successfully developed an eco-friendly mechanochemical synthesis route for Ca-Mg IMCs
using a 3³ factorial design to optimize composition (Mg/Ca ratio), BPR, and milling time. XRD/Rietveld
analysis confirmed hexagonal CaMg₂ formation (P63/mmc), with yields ranging from 4.25 wt.% (Exp.
3) to 24.92 wt.% (Exp. 2), where ethanol (0.5 wt.%) effectively minimized cold welding. While Exp. 2
showed optimal results (a = 6.21870 Å, c = 10.00630 Å, V = 335.1223 ų), further optimization of milling
parameters is needed to maximize CaMg₂ purity by reducing Ca(OH)₂ byproducts. These findings
highlight mechanochemistry as a sustainable approach for biomedical-grade IMC synthesis, with future
work focusing on prolonged milling and atmospheric control to enhance yields.
REFERENCE
1. Yeh, P. Y., Huang, J. C., Jang, J. S., Pan, C. T., Chen, C. H., & Lin, C. H. (2022). Recent developments in additive-man-
ufactured intermetallic compounds for bio-implant applications. Journal of Medical and Biological Engineering, 42(6),
800-815.
2. Lee, J., & Marrocchi, A. (2024). Advances in green chemistry and engineering. Scientific Reports, 14(1), 3133.
3. Zhang, M., Liu, Q., Sun, W., Sun, K., Shen, Y., An, W., ... & Zou, X. (2023). Nanostructured intermetallics: from rational
synthesis to energy electrocatalysis. OAE Publishing Inc.
4. Tsuzuki, T. (2021). Mechanochemical synthesis of metal oxide nanoparticles. Communications Chemistry, 4(1), 143.
5. Nasiri-Tabrizi, B., & Yeong, C. H. (2024). Mechanosynthesis of substituted hydroxyapatite bone grafts: A systematic
review. Materials Today Communications, 108610.
6. Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., ... & Persson, K. A. (2013). Commentary: The
Materials Project: A materials genome approach to accelerating materials innovation. APL materials, 1(1).
7. Momma, K., & Izumi, F. (2011). VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology
[Link] Crystallography, 44(6), 1272-1276.
8. Suryanarayana, C. (2001). Mechanical alloying and milling. Progress in materials science, 46(1-2), 1-184.
 13
Biochar-Based Sorbents for Separating Heavy
Metals from Waste Water
Jelet S Jayan, Deepak kumar, S Kishore
Nandha Engineering College (Autonomous)

ABSTRACT
Heavy metals (HMs) in wastewater present significant risks to both human health and the environment, demanding
effective and affordable treatment solutions. Adsorption has become a promising method for removing these pollutants,
as heavy metals are challenging to biodegrade. Pyrolysis is a process that decomposes organic materials at high
temperatures without oxygen, producing biochar, bio-oil, and syngas. , Nandha Engineering College(Autonomous)
However, its adsorption efficiency is lower than activated carbon, limiting its widespread application. Additionally,
the heavy metals retained by biochar are difficult to release, making it hazardous if not disposed of correctly.
To address these limitations, surface modifications are necessary to enhance biochar adsorption capacity and
sustainability. Research has demonstrated that biochar can effectively remove heavy metals like lead, cadmium,
copper, and arsenic through physical adsorption, electrostatic interactions, and chelation with functional groups on
its surface. Furthermore, biochar can be tailored to improve its removal efficiency for specific contaminants. Biochar
can remove up to 90% of lead, 85% of cadmium, 80% of copper, and 95% of arsenic, depending on how it's modified
and its surface properties. By using waste biomass and plastics as feedstocks, biochar aligns with circular economy
principles, offering a sustainable approach that reduces water toxicity while recycling waste. Studies also indicate
that biochar outperforms plastic-derived chars in heavy metal removal, highlighting its potential as an effective, eco-
friendly solution for wastewater treatment.
Keywords: Biochar, Pyrolysis, Heavy Metals Removal, Adsorption.

INTRODUCTION
The increasing contamination of water resources by heavy metals is a pressing environmental concern
globally. These metals, including lead (Pb), mercury (Hg), cadmium (Cd), arsenic (As), and chromium
(Cr), pose significant risks to both human health and ecosystems. Industrialization, mining activities,
and urbanization have resulted in the discharge of untreated or poorly treated wastewater containing
high concentrations of these hazardous substances into water bodies. Consequently, the removal of heavy
metals from wastewater has become an urgent issue in environmental engineering and water treatment
practices. Traditional water treatment methods, such as chemical precipitation, ion exchange, and
adsorption, have been employed to mitigate the harmful effects of heavy metal contamination. However,
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 69

these methods often face challenges such as high operational costs, limited efficiency, and the production
of toxic sludge, which poses additional environmental risks.
In recent years, biochar-based sorbents have emerged as a promising and sustainable alternative for the
removal of heavy metals from contaminated wastewater. Biochar, a carbon-rich material produced through
the pyrolysis of organic biomass, is gaining recognition as an effective, low-cost, and environmentally
friendly material for water purification. Its unique properties, including high surface area, large pore
volume, and rich functional groups, make biochar an excellent candidate for adsorption-based removal of
heavy metals from wastewater.
This introduction explores the significance of biochar-based sorbents in heavy metal removal, highlighting
their advantages, mechanisms of interaction with contaminants, and the challenges associated with their
use.
Heavy metal contamination of water sources is a growing problem due to various anthropogenic
activities. These metals are toxic even at low concentrations and can accumulate in the food chain, leading
to serious health issues such as neurological disorders, organ damage, cancer, and reproductive problems.
Water pollution caused by industrial effluents, agricultural runoff, mining waste, and improper disposal
of electronic waste is one of the primary causes of heavy metal contamination in surface water and
groundwater. Given the persistence and mobility of these metals in the environment, the need for effective
treatment methods to remove them from wastewater has become more critical.
Conventional methods for removing heavy metals, such as chemical precipitation, membrane filtration,
and ion exchange, are widely used but often face limitations. For example, chemical precipitation often
requires the addition of large quantities of chemicals, which can lead to the generation of secondary waste
and increased treatment costs. Membrane filtration methods, while effective, are energy-intensive and
can suffer from membrane fouling. Ion exchange resins, though efficient, can be costly and are limited in
their regeneration capacity. These challenges underscore the need for alternative, sustainable, and cost-
effective solutions, leading to the growing interest in biochar-based sorbents.
Biochar is a porous, carbon-rich material that is produced by the pyrolysis of organic materials, such as
agricultural waste, forestry residues, and biomass. The pyrolysis process involves heating the biomass
in a low-oxygen environment, resulting in the conversion of organic matter into a stable form of carbon
that retains a large surface area and porous structure. The high surface area of biochar, combined with its
functional groups such as hydroxyl, carboxyl, and phenolic groups, makes it highly reactive and capable
of interacting with various pollutants, including heavy metals.
MATERIALS AND METHODS
Biochar was produced via pyrolysis of agricultural biomass—specifically rice husks and corn stalks—at
500°C under limited oxygen using a muffle furnace. The resulting biochar was ground and sieved to
a particle size <2 mm. Prior to use, biochar was washed with deionized water and dried at 105°C for
24 hours. Surface modification was performed using 1 M NaOH or 0.1 M HNO₃ to enhance sorption
properties.
Simulated wastewater containing known concentrations (50–200 mg/L) of heavy metals—namely lead
(Pb²⁺), cadmium (Cd²⁺), and copper (Cu²⁺)—was prepared using analytical-grade salts. Batch adsorption
experiments were carried out by mixing 1 g of biochar with 100 mL of metal solution in 250 mL Erlenmeyer
flasks. The mixtures were agitated at 150 rpm for 24 hours at room temperature.
After filtration through Whatman No. 42 filter paper, metal concentrations in the filtrate were analyzed
using atomic absorption spectroscopy (AAS). Parameters such as pH (4–8), contact time (0–48 h), and
initial metal concentration were varied to assess their effects on adsorption efficiency. All experiments
were conducted in triplicate, and data were analyzed using ANOVA and Langmuir and Freundlich
isotherm models to interpret sorption behavior.
 70 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

¾¾ Food Waste or Agricultural Waste

¾¾ Activating Agent as Potassium Hydroxide (KOH)
¾¾ Functionalizing Agent as Citric Acid
¾¾ Other Materials for Composite Sorbents like Activated Carbon
¾¾ Actual Wastewater

RESULTS AND DISCUSSION

The Kabini River in Karnataka faces significant heavy metal contamination (Cr, Cu, Fe, Mn, Ni, Pb, Zn)
from industrial effluents, agricultural runoff, and sewage, necessitating urgent remediation and stricter
environmental regulations to mitigate ecological risks and protect water quality [1]. Anthropogenic activities
have altered global biogeochemical cycles, with heavy metals contaminating plants via foliar uptake,
posing ecological and health risks. Comprehensive studies on uptake mechanisms, risk assessments, and
preventive measures in urban agriculture are essential for sustainable food security and environmental
health [2]. In the past, various remediation methods/techniques have been used to immobilize/remove
metal from water including ion-exchange, electrodialysis, chemical precipitation, membrane filtration
and electrochemical treatment[3]. Among these techniques, biosorption has emerged as a viable and
cost-effective method for removal of heavy metals from water[4].Biosorbents are eco-friendly and easily
available materials and among them, biochar is considered as the most popular one. Recently, biochar is
being considered as a main alternative agent than other biomaterials for the removal of toxic metals from
water [5].Biochar, derived from organic waste, holds significant potential for environmental sustainability
through applications in soil remediation, carbon sequestration, and wastewater treatment; however,
further research and in situ studies are needed to optimize its properties, mechanisms, and large-scale
environmental impact [6]. An experiment on potatoes irrigated with untreated wastewater demonstrated
that soil amendment with plantain peel biochar significantly reduced Cd and Zn uptake in tuber flesh
and peel, mitigating potential health risks. The study highlights that while heavy metals accumulated
in all plant parts, the peel posed a higher health risk than the flesh, with biochar effectively decreasing
contamination [7]. This review explores various methods for heavy metal remediation in contaminated
soil, emphasizing the use of biochar composites, which effectively remove metals through mechanisms
such as sorption, precipitation, complexation, and ion exchange. While physical, chemical, biological,
and phytoremediation methods each offer advantages and limitations, biochar composites, especially
when tailored with specific non-metals or doped metals, present a promising, cost-effective solution for
enhancing heavy metal removal efficiency [8]. This review highlights recent advancements in biochar
pyrolysis and modification techniques, including microwave-assisted pyrolysis, co-pyrolysis, and various
green modification strategies, aimed at enhancing biochar's environmental remediation capabilities. By
improving biochar's physicochemical properties and addressing sustainability concerns, these novel
approaches offer promising solutions for contaminant adsorption, soil fertility enhancement, and climate
change mitigation [9]. This analysis evaluates the profitability of producing biochar from corn stover
through slow and fast pyrolysis, considering both carbon offset credits and energy product revenues. The
fast pyrolysis scenario, which co-produces bio-oil and biochar, shows stronger economic potential, with
projected internal rates of return (IRR) ranging from 15% to 37%, while slow pyrolysis, primarily focused
on biochar, is less profitable due to lower carbon offset values and higher feedstock costs [10].
CONCLUSION
The document provides a comprehensive review of biochar-based sorbents as an eco-friendly, sustainable,
and cost-effective method for removing heavy metals from contaminated water. Biochar is derived from
the pyrolysis of biomass under oxygen-limited conditions, resulting in a carbon-rich material with high
porosity, large surface area, and abundant functional groups that enable effective sorption of toxic metals
such as lead, cadmium, and mercury.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 71

The effectiveness of biochar depends on factors like feedstock type, pyrolysis temperature, and
modifications. Enhancement techniques, including chemical activation, mineral impregnation, and
integration with materials like graphene oxide, significantly improve its sorption capacity. These processes
create more active sites and improve functional properties, allowing biochar to capture metals through
mechanisms like physical adsorption, ion exchange, surface complexation, and precipitation.
Biochar's use aligns with sustainability goals by converting agricultural and industrial waste into
valuable sorbents. Its environmental benefits include waste valorization, soil improvement, and carbon
sequestration, addressing pollution while supporting resource efficiency. Despite its potential, challenges
remain in scaling production, optimizing modifications, and understanding long-term impacts on
ecosystems.
The review underscores the need for further research to develop biochar as a filtration medium and
improve its economic and environmental viability in large-scale applications. By advancing biochar
technologies, it can become a key solution in tackling global water pollution challenges, especially in areas
affected by heavy metal contamination.
REFERENCES
1. Azadeh Taghinia Hejabi(2011)Heavy metal pollution in water and sediments in the Kabini River, Karnataka, India
2. Muhammad Shahid (2016) Foliar heavy metal uptake, toxicity and detoxification in plants: A comparison of foliar and
root metal uptake
3. Yuan (2019)remove metal from water.
4. Shakoor (2016)cost-effective method for removal of heavy metals from water
5. Moreira (2017) Biochar for the removal of toxic metals from water
6. Jianlong Wang (2019) Preparation, modification and environmental application of biochar
7. Christopher Nzediegwu (2019) Effect of biochar on heavy metal accumulation in potatoes from wastewater irrigation
8. Mortaza Gholizadeh (2021) Removal of heavy metals from soil with biochar composite
9. Liuwei Wang (2020) New trends in biochar pyrolysis and modification strategies: feedstock, pyrolysis conditions,
sustainability concerns and implications for soil amendment
10. Tristan R. Brown (2010) Estimating profi tability of two biochar production scenarios: slow pyrolysis vs fast pyrolysis
 14
CFD Analysis of Vortex Finder Wall Thickness on
Short-Circuit Flow Reduction in Hydrocyclones
Amal Binu, Akshaya Babu, Riya Susan Thomas, Shaun Kurian Santhosh, Mona Mary Varghese
Department of Chemical Engineering, Saintgits College of Engineering, Pathamuttom, Kottayam

ABSTRACT
A hydrocyclone is a equipment used to separate particles from a liquid by applying centrifugal force, typically for
solid-liquid separation. The performance of a hydrocyclone is significantly influenced by its design, with particular
emphasis on the vortex finder wall thickness, which affects the short circuit flow (SCF). This study investigates the
impact of varying vortex finder wall thicknesses on SCF in a 250 mm hydrocyclone using Computational Fluid
Dynamics (CFD). A study was conducted on four distinct geometries, including a standard configuration with a
vortex finder thickness of 1.75 mm and three modified designs with increased thicknesses of 10 mm, 22.5 mm, and 35
mm. All geometries were created and meshed using ICEM-CFD, resulting in a structured mesh with 200K elements.
Ansys Fluent was used to solve the CFD simulations. Initially, simulations were performed under laminar flow
conditions, followed by the application of the K-Ԑ RNG and Reynolds Stress Models (RSM) for turbulence. After
achieving a steady pressure profile, the Volume of Fluid (VOF) method was applied to simulate the air core. SCF
was evaluated by analysing axial velocity distributions, and the hydrocyclone's performance was further assessed
by pressure drop and velocity profiles. The results indicate that increasing the vortex finder wall thickness leads to a
reduction in short circuit flow, aligning with trends observed in mini-hydrocyclone. The findings provide valuable
insights into the optimization of hydrocyclone design, particularly in industries where efficient separation and
minimal short-circuiting are critical. This study enhances the understanding of the impact of vortex finder thickness
on hydrocyclone performance, offering valuable insights for applications in mining, oil refining, and wastewater
treatment.
Keywords: Hydrocyclone, Vortex Finder Thickness, Short-Circuit Flow, CFD, RSM
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 73

INTRODUCTION
For over a century, hydrocyclones have been extensively utilized in environmental, mineral processing, and
petrochemical industries for solid-liquid separation (Schwerzler, 2005). When a suspension is introduced
tangentially into the hydrocyclone, the resulting rotational motion of the fluid generates a centrifugal
force that acts on the suspended particles. As a result, larger and denser particles are driven toward the
outer wall and discharged through the underflow, while finer particles are carried by the secondary vortex
and exit through the overflow. The continued relevance of hydrocyclones in both industrial practice and
academic research is primarily attributed to their simple design, low capital investment, and minimal
operating and maintenance requirements (Hwang & Chou, 2017).
Despite these benefits, the complex multiphase flow inside the hydrocyclone, which includes intense
swirling motion and undesired short-circuit flow often makes it difficult to achieve high separation
efficiency (Hsieh & Rajamani, 1991). Previous studies have thoroughly examined the effects of design
parameters on performance, including inlet geometry, vortex finder diameter, and cone angle (Narasimha
et al., 2007). The influence of vortex finder thickness has received limited attention in previous studies. This
gap is important as it may play a key role in optimizing design and minimizing short-circuit flow. This
study uses computational fluid dynamics (CFD) to investigate the hydrodynamic effects of varying vortex
finder thickness. In recent decades, computational fluid dynamics (CFD), supported by experimental
data, has greatly advanced the numerical simulation of hydrocyclones. (Cui et al., 2015). This study aims
to better understand how this parameter affects internal flow patterns. It focuses on specific operating
conditions and does not consider chemical or thermal interactions. However, the results provide a starting
point for further research and experimental validation.
MATERIALS AND METHODS
Model description
To depict the complex multiphase flow and swirling behaviour inside the hydrocyclone, a multiphase
CFD approach was adopted using the VOF model in ANSYS Fluent (Zhao et al., 2019). In multiphase
models, the velocity field for incompressible fluids (air and water) is calculated from the continuity and
momentum equations:

(1)

(2)

Where m represents the mixture phase, F is the body force, n is the number of phases, αk is the volume
fraction of phase k, udr,ki is the drift velocity for phase k and is only available in the mixture model, and
is the Reynolds stress term. Due to the anisotropy of the Reynolds stress in hydrocyclones, the Reynolds
stress model (RSM) is adopted for both accuracy and computational efficiency. Air core is the most
important characteristic of the flow field in a hydrocyclone. It can be tracked by solving the following
equation:
 74 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

∂α k ∂α k
+ ui 0 (3)
=
∂t ∂xi
VOF model is adopted in this paper. After running the model for approximately 15s, the characteristics of
stable flow field are obtained. The hydrocyclone used in this study is shown in Figure 1.

Figure 1. Geometric parameters of hydrocyclone

In this work, the computational domain is divided into hexahedral mesh elements mainly using the
O-grid block split method. The boundary condition of the inlet is set as a velocity inlet with a constant
velocity of 2.5 m/s. The pressure outlet condition is used at both overflow and underflow, where the
absolute pressure is taken as 1 atm.
RESULTS AND DISCUSSION
Pressure Profile

Figure 2 shows the effect of vortex finder wall thickness on the predicted pressure distribution over a
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 75

diameter line in Y=650 mm from the base of the hydrocyclone. The peak values of pressure first decrease
slowly and then sharply from the wall to the axis. The peak values of pressure near the wall decrease with
increasing wall thickness of the vortex finder, implying that less pressure potential energy translates into
kinetic energy.
Tangential Velocity

Figure 3. Effect of vortex finder thickness on the distribution of tangential velocity

Tangential velocity is the largest and most significant velocity component, which generates the centrifugal
force for particle separation. Figure 3 shows the tangential distribution along the radius in Y=650 mm
from the base of the hydrocyclone. It can be seen from Figure 3 that the distributions with different vortex
finder wall thicknesses are consistent with the Rankine vortex, which is useful for modelling swirling
motion inside a hydrocyclone. The observed decline in velocity is likely due to the increased frictional
resistance introduced by the thicker vortex finder.
Short-circuit flow

Figure. 4. Effect of 10 mm vortex finder thickness on SCF

Figures 4, 5, and 6 show that an increase in vortex finder wall thickness decreases SCF. Contour plots of
velocity for different vortex finder thicknesses show that a thinner vortex finder results in higher SCF, as
indicated by stronger central core velocities.
 76 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure 5. Effect of 22.5 mm vortex finder thickness on SCF.

Figure 6. Effect of 35 mm vortex finder thickness on SCF

CONCLUSION
Vortex finder wall thickness plays a crucial role in particle classification within hydrocyclones. While
increasing the thickness can reduce pressure drop, an excessively thick wall may lead to a higher pressure
drop. A hydrocyclone with an appropriate vortex finder wall thickness could lower pressure consumption
and energy loss while maintaining a specific feed velocity.
REFERENCES
1. Cui, R., Wang, G. H., & Li, M. L. (2015). Size-dependent flow behaviors of particles in hydrocyclone based on mul-
tiphase simulation. Transactions of Nonferrous Metals Society of China, 25(7), 2422–2428. [Link]
S1003-6326(15)63858-4.
2. Cui, R., Wang, G. H., & Li, M. L. (2015). Size-dependent flow behaviors of particles in hydrocyclone based on mul-
tiphase simulation. Transactions of Nonferrous Metals Society of China, 25(7), 2422–2428. [Link]
S1003-6326(15)63858-4.
3. Hsieh, K. T., & Rajamani, R. K. (1991). Mathematical model of the hydrocyclone based on physics of fluid flow. AIChE
Journal, 37(5). [Link]
4. Hwang, K. J., & Chou, S. P. (2017). Designing a vortex finder structure for improving the particle separation efficiency
of a hydrocyclone. Separation and Purification Technology,[Link]://[Link]/10.1016/[Link].2016.08.005.
 15
Energy Harvesting Using Piezoelectric Shoe
D Jeshwanth, Praveen A, Mohith Mithra D, Bharathy G
Mechanical Engineering, Department of Applied Physics, Sri Venkateswara College of Engineering,
Pennalur, Sriperumbudur

ABSTRACT
Alternative energy solutions like solar and wind are often impractical in remote locations due to inconsistent energy
availability and storage challenges. Our innovative solution integrates piezoelectric shoes into a hybrid energy storage
system, offering a sustainable and portable approach to energy generation and retention. The system harnesses
mechanical energy generated during walking through advanced piezoelectric materials embedded in the shoe soles.
This energy is stored in a compact lithium-ion battery or supercapacitor, enabling efficient and safe power retention
for extended periods. To enhance functionality, solar panels can be incorporated into the shoe's surface or an external
module for supplementary energy generation when stationary. The energy storage unit includes advanced safety
features such as thermal management, overcharge protection, and a rugged waterproof design, making it ideal for
extreme environments. The modular and lightweight design ensures portability and adaptability, allowing users to
power essential devices like GPS trackers, mobile phones, and flashlights. This project represents a step forward in
leveraging piezoelectric technology for practical applications, bridging the gap between innovative energy solutions
and real-world utility in remote and resource-constrained settings
Keywords: 1) Renewable Engery, 2) Piezoelectric Effect, 3) Sustainable Resources

INTRODUCTION
This paper focuses on the concept of piezoelectric shoes, which generate electricity from the mechanical
energy produced while walking. Alternative energy solutions like solar and wind are often impractical
in remote locations due to inconsistent energy availability and storage challenges. Our innovative
solution integrates piezoelectric shoes into a hybrid energy storage system, offering a sustainable and
portable approach to energy generation and retention. By considering both the current applications and
future prospects, this study highlights the role of piezoelectric shoes in fostering innovation, promoting
responsible consumption, and contributing to a more sustainable future. This approach supports the
United Nations' Sustainable Development Goals.
 78 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

MATERIALS AND METHODS

The system harnesses mechanical energy generated during walking through advanced piezoelectric
materials embedded in the shoe soles. This energy is stored in a compact lithium-ion battery or
supercapacitor, enabling efficient and safe power retention for extended periods.
To enhance functionality, solar panels can be incorporated into the shoe's surface or an external module
for supplementary energy generation when stationary.
The core mechanism relies on the piezoelectric effect, which converts mechanical stress into electrical
energy. Piezoelectric materials have properties of non-linear optical materials which can also be used for
communication purpose. Some examples of piezoelectric materials include Barium titanate, Zinc oxide,
and
Lithium niobate.
RESULTS AND DISCUSSION
Energy produced from 1 footstep can be used to light a 60W bulb for a very small fraction of second. The
modular and lightweight design ensures portability and adaptability, allowing users to power essential
devices like GPS trackers, mobile phones, and flashlights. The energy storage unit includes advanced
safety features such as thermal management, overcharge protection, and a rugged waterproof design,
making it ideal for extreme environments.
Piezoelectric shoes have various applications:
¾¾ Charging small devices like GPS trackers
¾¾ Energy Generation for Off-Grid Areas
¾¾ Defense sector and Healthcare sector
¾¾ Fitness and Sports
The challenges developing piezoelectric shoes include:
¾¾ Energy Conversion Efficiency
¾¾ Durability of Materials
¾¾ Cost of Production
¾¾ Comfort and Design
¾¾ Scalability
Recommend solutions for challenges:
¾¾ Improved Energy Conversion
¾¾ Advanced Material Durability
¾¾ Cost Reduction Strategies
¾¾ Comfortable and Stylish Design
¾¾ Collaboration with the Footwear Industry
Piezoelectric shoes contribute to the following Sustainable Development Goals:
¾¾ SDG 7 – Affordable and Clean Energy
¾¾ SDG 9 – Industry, Innovation, and Infrastructure
¾¾ SDG 11 – Sustainable Cities and Communities
¾¾ SDG 12 – Responsible Consumption and Production
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 79

Future aspects of piezoelectric energy harvesting include:

¾¾ Piezoelectric Staircases
¾¾ Kids' Playgrounds & Fun Zones
¾¾ Piezoelectric Calculators
¾¾ Public Transportation Hubs
By integrating piezoelectric energy harvesting into urban infrastructure, we can transform cities into
renewable energy hubs, making them more sustainable
CONCLUSION:
This project represents a step forward in leveraging piezoelectric technology for practical applications,
bridging the gap between innovative energy solutions and real-world utility in remote and resource-
constrained settings. The development of piezoelectric shoes offers a sustainable and portable approach to
energy generation and retention, supporting the United Nations' Sustainable Development Goals. While
challenges remain, ongoing research and development promise to expand the applications and impact of
this technology.
REFERENCE
Research papers:
1. [Link]
Wearable_Sensors
2. [Link]

Industry Insights:
1. [Link]
2. [Link]
 16
Biodegradation of Phenol: Comparison Between
Free and Immobilized Organism
Sai Sruthi Sahu, V Sridevi, Charishma Adhikari, Sri Siva Sai Manda, Avinash Gollapalli
Department of Chemical Engineering, AU College of Engineering (A), Andhra University, Andhra Pradesh

ABSTRACT
Phenol and its derivatives account for a significant portion of the waste produced by several businesses. It is well
documented that phenol is carcinogenic to humans. Cell immobilization is a promising strategy for the biodegradation
of these toxic substances because it offers several advantages over free cells, including increased biodegradation
activity, protection from the matrix, increased cell density in the matrix, and enhancement of physiological activities
such as enzyme induction. Pseudomonas sp. strain DT-4 isolated from industrial effluents, could exclusively use
phenol as a carbon supplier and source of energy. This study focuses on identifying and immobilizing a phenol-
degrading microbial strain to enhance degradation efficiency using GEN III BIOLOG techniques. Response Surface
Methodology (RSM) was employed to optimize key parameters influencing phenol degradation. The percentage
degradation of phenol by immobilized organisms was 96.00, which was higher compared to free organisms (91.05).
According to this investigation, Pseudomonas sp. could destroy phenol entirely in 96 hours while remaining stable
at the ideal development circumstance. This integrated approach provides a framework for developing efficient
bioremediation systems for phenol-contaminated environments.
Keywords: Phenol; Biodegradation; Free & Immobilized organisms; RSM; GEN III BIOLOG.

INTRODUCTION
Phenol and its derivatives constitute a significant portion of waste products from several industries,
including textile, oil refining, pharmaceutical and others [1]. Phenol is hazardous as are its chemical
derivatives. Despite its reputation as an inhibitory as well as harmful substrate, another possibility for
phenol is source of carbon by adapted biomass [2]. It is well-documented that phenol is a human carcinogen.
Many production processes, such as those for oil, petrochemicals, medications, coking, and wood products,
contain phenolic compounds. Discharging these compounds without sufficient treatment unveils a threat
to freshwater and marine habitats along with individuals and animal occupants. Physical/chemical
processes such as adsorption, chlorination, advanced oxidation processes, solvent extraction, coagulation,
flocculation, reverse osmosis, and electrolytic oxidation; and biological processes such as biofiltration and
biodegradation are examples of phenolic effluent treatment processes. The biological treatment of phenol
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 81

has received a lot of interest due to its eco-friendliness and ability to completely mineralize harmful
chemical molecules [3]. However, inhibition of the substrate (phenol) and low specific conversion rates
are common hurdles to phenol breakdown by bacteria. Many ways have been devised to circumvent
substrate inhibition in order to tolerate high quantities of phenol. These include cell immobilization and
adaptability to increasing phenol concentrations [4-5]. The immobilization of microorganisms offers
several advantages, including the prevention of cell death, the facilitation of recycling, and the prevention
of pathogens. acquisition of a higher cell density. Batch studies were carried out to investigate the effect
of immobilization in calcium-alginate gel beads on the biodegradation performance of environmental
contaminants. Statistical optimization growth conditions and medium components by response surface
methodology for immobilized cells to enhance phenol biodegradation by Box- Behnken method.
MATERIALS AND METHODS
Sample Collection, Preparation and Microbial Identification Databases For Biolog Systems:
A total of 5 untreated textile effluent samples, were collected in autoclaved plastic bottles from 5 different
locations in India. An approximation of the volume of the water from the surface was collected for bacterial
assessment. The metabolic phenotype is the cornerstone of the Biolog Microbial Identification System.
Optimization and Determination of percentage phenol degradation: The following formula was used
to determine the degree after discovering the amount of absorption quantity obtained by the UV-Visible
spectrophotometer and the equivalent amount of the phenol level from the 4-Amino antipyrine procedure,
the microbe destroyed the test specimen sample.
% degradation =
By using the Box-Behnken approach, three parameters had been selected for optimization since each of
them had significant effects on the decomposition of phenol. They comprise Temperature of Incubation
(X1) Contact Time (X2) Concentration (X3)
Results and Discussion: The organism was identified using GEN III Microlog According to the outcomes,
the Pseudomonas species Pseudomonas syringae pv maculicola is the biological origin of the phenol-degrading
bacteria Pseudomonas. Process parameters were optimized only for immobilized cells and Response surface
methodology has been employed to statistically optimize the growth parameters and the elements of the
medium for enhancing phenol degradation.
Using the Box-Behnken approach to optimise process parameters, microbial strains are immobilised to
improve the efficiency of phenol biodegradation. A promising strategy for the biodegradation of toxic
substances is cell immobilization. Since it outperforms independent cells in a number of ways, include
greater biological degradation activity, protection against the matrix, higher cell density in the matrix,
and augmentation of physiological processes like enzymatic induction. By assessing the rate of phenol
breakdown by the immobilised cells, the influence of the beads' surface area was assessed [6].
Effect of parameters: The immobilized DT-4 strain's degradation of phenol at different times was
investigated. Increasing the interaction period from 24 to 144 hours, it was found as degradation
percentage increased from 0 to 77.3(Fig 1). These findings demonstrate that a significant contributor to
degradation is the medium's contact time. From a starting concentration of 1200 mg/l up to 200 mg/l,
the immobilized DT-4 strain's percentage of phenol degradation was reduced from 79 to 64.8 (Fig 2).
The biodegradation of phenol was investigated to ascertain temperature effects on the rate of phenol
degradation during a constant 96-hour period at various temperatures (30 to 40oC) (Fig 3). Observed at
36oC, significant degradation as well. The proportion of deterioration was shown to have risen with an
elevation in pH from 2 to 8 about 77.2 up to 96 (Fig 4).
82 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Fig 1: The impact of contact time on phenol degradation

Fig 2: The impact of the initial Phenol concentration on Phenol Degradation Rate

Fig 3: Temperature (ºC) effect on % degradation of Phenol

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 83

Fig 4: pH impact on range of phenol degrades

Optimizing experiment model: Investigations were carried out using the Box-Behnken method
demonstrated in Table to ascertain the optimum distribution of the selected elements in the medium being
studied. Phenol deterioration as a consequence of the subsequent second order equation for regression (X1),
temperature; (X2), contact duration; and (X3), concentration had been produced utilizing experimental
results. A second-order response surface model's assessment of variance (ANOVA) fit outcomes.
Conclusions: A protocol for the enhanced biodegradation of Phenol has been developed. A model
based on the finding has been developed and evaluated for the application of the same for the largescale
degradation of phenol by Pseudomonas syringae pv maculicola using a largescale flask or a small bioreactor.
The accomplished design is going to be extremely helpful to all local¬ industries, including Visakhapatnam
Port Trust, Visakhapatnam Steel Plant, Hindustan Petroleum Corporation Ltd., and Greater Visakhapatnam
Municipal Corporation, prior to discharging pollutants into the surrounding environment as the model
was utilized for designing a treatment facility for phenol waste water effluent in which massive amounts
collection can be achieved.
REFERENCES
1. Mohammadreza Kamali, Tania Gameiro, Maria Elizabeth Costa, Isabel Capela, Tejraj M. Aminabhavi, Enhanced
biodegradation of phenolic wastewaters with acclimatized activated sludge – A kinetic study, Chemical Engineering
Journal 378 (2019) 122186.
2. E.T. Yoong, P.A. Lant, P.F. Greenfield, In Situ respirometry in an SBR treating wastewater with high phenol concen-
trations, Water Resour. 34 (1) (2000) 239–245.
3. S. Mohammadi, A. Kargari, H. Sanaeepur, K. Abbassian, A. Najafi, E. Mofarrah, Phenol removal from industrial
wastewaters: a short review, Desalin Water Treat, 53 (2015) 2215–34
4. G.P. Prpich and A.J. Daugulis, Enhanced biodegradation of phenol by a microbial consortium in a solid–liquid two-
phase partitioning bioreactor, Biodegradation. 16 (2005) 329–339.
5. A. Viggiani, G. Olivieri, L. Siani, A.D. Donato, A. Marzocchella, P. Salatino, P. Barbieri, E. Galli, An airlift biofilm re-
actor for the biodegradation of phenol by Pseudomonas stutzeri OX1, J. Biotechnol. 123 (2006) 464–477.
6. Satya Sundar Mohanty and Hara Mohan Jena, Biodegradation of Phenol by Free and Immobilized Cells of a Novel
Pseudomonas sp. NBM11, Brazilian Journal of Chemical Engineering. 34 (1) (2017) 75 - 84.
 17
Development of Graphene-tin oxide Alloyed
Quantum Dot Suspension with Enhanced
Thermo-physical Properties for Thermal
Management Application
Anagha Chandran, Nikita Saara Renji, Vishnuprasad S
Department of Chemical Engineering, Saintgits College of Engineering (Autonomous), Kottayam, Kerala

ABSTRACT
In this study, graphene-tin oxide alloyed quantum dot suspension (AQDS nanofluid) was synthesized using a
simple hydrothermal method with stannous chloride dehydrate, thiourea, and citric acid. The AQDS was developed
by modifying graphene quantum dots to enhance their self-stability, lifetime, and the suspension's properties over
time. UV absorption spectroscopy, Photoluminescence spectroscopy, X-ray diffraction, Zeta potential, and EDS
were done for analysing the composition, stability of the suspension and thus the characterization. The zeta potential
value of the quantum dot suspension at pH value 7 was found to be -35.5 mV, indicating good colloidal stability at
neutral condition. The viscosity of the quantum dot suspension was measured at various concentrations, shear rates,
and temperatures. Furthermore, the nanofluid suspension was evaluated for its heat transfer properties by measuring
thermal conductivity (k) and heat transfer coefficient (h) at different concentrations. Remarkably, the stability got
improved significantly, and a 45% increase in thermal conductivity was observed for the 1000 ppm AQDS compared
to the base fluid (DI water). The addition of tin oxide to the graphene quantum dots notably enhanced the thermo-
fluid properties of the suspension, making it a promising candidate for use as a coolant to replace traditional heat
transfer fluids in thermal management systems.
Keywords: Graphene; Tin Oxide; Alloyed Quantum Dot Suspension; Dispersion Stability; Thermo-physical
Properties.

INTRODUCTION
Nanofluids are a class of engineered fluids that contain nanometer-sized particles (typically less than
100 nm in diameter) suspended in a base fluid, such as water, ethylene glycol, or oil. Recent advances
in nanomaterials have sparked significant interest in the development of hybrid nanostructures with
tailored thermo-physical properties for high-performance applications in energy, electronics, and thermal
management systems [1]. Among these, quantum dots (QDs)—semiconductor nanoparticles with size-
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 85

tunable optical and electronic properties—have emerged as promising candidates for next-generation
nanofluids due to their high surface-to-volume ratio and unique quantum confinement effects.
The fascinating properties graphene quantum dots (GQD) have been emerged it in numerous applications.
Although GQD having higher dispersion stability it lack of self-stability as time proceeds. Most of the QDs
show the same behaviour during its applications. The issues related to the self-stability of the quantum
dots can be overcome by developing a quantum dots with the use of different materials [2].
In particular, the alloying of tin oxide (SnO₂), a widely used n-type semiconductor, with graphene, a two-
dimensional carbon nanomaterial known for its exceptional thermal conductivity and mechanical strength,
offers a synergistic platform for enhancing the overall thermal, electrical, and stability characteristics of
nanoparticle suspensions.
The integration of graphene and tin oxide within a quantum dot framework forms a novel class of
composite nanostructures—graphene-tin oxide alloyed quantum dots (GTO-QDs)—that exhibit superior
thermo-physical behaviour compared to their individual constituents [3].
These suspensions not only demonstrate improved thermal conductivity and heat transfer performance
but also maintain stability over extended periods, addressing key limitations in conventional nanofluids.
This study focuses on the synthesis, characterization, and evaluation of graphene-tin oxide alloyed
quantum dot suspensions, emphasizing the enhancement of thermo-physical properties. By exploring
the underlying mechanisms driving these enhancements, the research aims to establish a foundational
understanding for the development of efficient, scalable nanofluid systems for next-generation thermal
technologies.
MATERIALS AND METHODOLOGY
Precursors such as citric acid and urea were purchased from Alfa Aesar, India. Urea act as the stabilizer
during the QDs preparation. For the development of G-ZnO AQDS, Zinc acetate dehydrate was purchased
from Chemical House, India.
Synthesis of Graphene quantum dots
In this process, 1.64 gm of citric acid and 1.48 gm of urea dissolved in the distilled water. The mixture was
stirred up to a clear uniform solution. The prepared solution has taken in a Teflon lined autoclave. The
high pressure Teflon lined stainless steel autoclave reactor kept in an electrical furnace at 160⁰C for 120
minutes to undergo hydrothermal process. After the completion of the reaction, obtained product was
allowed to cool until room temperature, a pale yellow coloured GQD suspension is obtained.
Synthesis of Alloyed Graphene Zinc oxide quantum dots
In this process, 40 ml of the synthesised GQD suspension was taken in a beaker. About 0.92 gm of zinc
acetate dihydrate is properly dissolved in GQD suspension. This mixture stirred for 120 minutes at 700⁰C
in a magnetic stirrer. After the reaction, a yellow coloured G-ZnO AQD suspension was obtained. The
G-ZnO AQD suspension dried at 800⁰C and crushed using a mortar and pestle to get the G-ZnO AQD
nanoparticles.
Analysis of the thermos-physical properties of G-ZnO AQD nanofluid
The obtained alloyed quantum dot powder is used to prepare the quantum dot suspension with different
concentration. Samples were prepared based on the G-ZnO AQDs at very low concentrations to high
concentrations including 50 ppm, 100 ppm, 200 ppm, 300 ppm, 400 ppm and 750 ppm. The presence of
G-ZnO AQD is confirmed by using an energy dispersive X-ray spectroscopy (EDS). The size and quantum
confinement effect of G-ZnO AQD was carried out using a photoluminescence spectroscopy. The thermal
conductivity of the nanofluid suspensions were studied using a transient thermal conductivity analyser.
The viscosity and the rheological properties of the nanofluid were investigated by using a rheometer.
 86 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

RESULTS AND DISCUSSIONS

The photoluminescence spectra of the prepared sample of G-ZnO AQD suspension of different excitation
wavelengths is shown in figure 1. The range of excitation wave length to be used for the PL analysis is
obtained from the UV-visible absorption spectra, and excitation wavelength ranges from 300 to 350 nm.

Fig. 1: Photoluminescence spectrum of G-ZnO AQD suspension

The prepared sample of G-ZnO AQD exhibit high luminescence with a special covering blue colour.
The photoluminescence spectra describes the electronic transition of QDs. The prepared sample shows
blue colour in the photoluminescence it is evident that the QDs having smaller size. Photoluminescence
spectra analysis of QDS shows the maximum intensity is for emitted wavelength of 430nm. It shows the
developed QDS absorbs the UV light and emit visible light (fluorescent).
The EDS spectrum given in figure 2, describes the elemental composition of the material, and the
corresponding numerical results are shown in table 1. From the table it is clear that, the prepared sample
constitute of three elements.

Fig. 2: EDS spectrum of G-ZnO AQD nanoparticle

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 87

Table 1: Elemental analysis of G-ZnO QDs

Element Line type Weight % Atomic %

C K series 52.35 64.14

O K series 36.13 33.25

Zn K series 11.56 2.6

Total 100 100

Carbon (52.35 wt.%) present in graphene, zinc (11.56 wt.%) and oxygen (36.13 wt.%) present in zinc oxide
which substantiates the purity and concentration of graphene (50 wt.%) in the composite material.
In zeta potential analysis, the zeta potential of prepared suspension at various pH measured, and the
results are shown in the figure 3. It is observed that the value of zeta potential decreases from +20 mV to
-45 mV as the pH changes to acidic region to basic region. At pH 7, the suspension shows a zeta potential
of -38 mV. So it can be concluded that the prepared suspension shows good dispersion stability in the
neutral condition [4].
The thermal conductivity of prepared G-ZnO AQD suspension was measured and the results were
obtained in figure 4

Fig. 3: Effect of pH on the Zeta potential

It was found that a linear increase in the thermal conductivity of with concentration. The maximum
thermal conductivity was shown by the QD suspension with the concentration of 700 ppm at 300C. For
easy comparison, the variation of the thermal conductivity of GQDs were also included in the graph.
Thermal conductivity of the water at room temperature is 0.585 W/(m⋅K). The maximum thermal
conductivity shown by the G-ZnO QD suspension (700 ppm) was 0.756 W/(m⋅K). Hence, it can be
concluded that, the increment in the thermal conductivity for the prepared G-ZnO AQD suspension as
compared to its base fluid (water) is 30%.
 88 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Fig. 4: Thermal conductivity of G-ZnO AQD suspension

CONCLUSION
The development of graphene-tin oxide alloyed quantum dot suspensions represents a significant
advancement in the field of nanofluids, offering remarkable improvements in thermo-physical properties
such as thermal conductivity, stability, and heat transfer performance. The synergistic integration of
graphene's exceptional conductivity with the thermal and chemical robustness of tin oxide quantum dots
creates a hybrid material well-suited for demanding thermal management applications. These findings
not only deepen our understanding of nanoscale heat transfer mechanisms but also pave the way for
innovative solutions in energy systems, electronics cooling, and advanced nanotechnology-based thermal
systems.
REFERENCES
1. Li S, Chen M (2016) Convenient synthesis of stable silver quantum dots with enhanced photoluminescence emission
by laser fragmentation. Chinese Phys B 25:. [Link]
2. Pei H, Zhu S, Yang M, et al (2015) Graphene oxide quantum dots@silver core-shell nanocrystals as turn-on fluores-
cent nanoprobe for ultrasensitive detection of prostate specific antigen. Biosens Bioelectron 74:909–914. [Link]
org/10.1016/[Link].2015.07.056
3. Ettefaghi E o. lla., Rashidi A, Ghobadian B, et al (2018) Experimental investigation of conduction and convection heat
transfer properties of a novel nanofluid based on carbon quantum dots. Int Commun Heat Mass Transf 90:85–92.
[Link]
4. Mehrali M, Sadeghinezhad E, Latibari ST, et al (2014) Investigation of thermal conductivity and rheological properties
of nanofluids containing graphene nanoplatelets. Nanoscale Res Lett 9:1–12. [Link]
 18
E-waste Management and its Effects on Society and
the Environmental Sustainability: A Review
Santhi Raju Pilli
Department of Chemical Engineering Technology, College of Applied Industrial Technology (CAIT),
Jazan University, Jazan, Kingdom of Saudi Arabia.

ABSTRACT
Recent studies shows that approximately 7.8 kilograms of E-waste was generates per person globally in 2022. This
surge is largely attributed to the growing use of electronic and electrical devices across the globe. E-waste has
several hazardous components that, if not handled appropriately, can harm the ecosystem and, more significantly,
human health. This review presents the latest global scenario and regional trends of E-waste generation statistics.
In addition, people's knowledge of e-waste management, generation, and fundamental treatment techniques is
examined. This research also aims to bring light on the role that E-waste management methods play in environmental
sustainability. The results of the investigation show that although there is a lack of information considering the
production of E-waste and its processing methods, the extended producer responsibility idea is gaining traction.
Insights on E-waste to wealth were also systematically reviewed. Some solutions to this quickly expanding issue
include imposing producers' waste disposal responsibilities, establishing official recycling facilities, and strictly
enforcing E-waste laws.
Keywords: E-waste, Disposal Methods, Management, Society, Environmental Sustainability

INTRODUCTION
In the rapidly advancing digital age, electronic devices have become an indispensable part of modern
life. E-waste, on the other hand, is one of the waste streams that is expanding the quickest in the globe
because of this technological revolution. The term "e-waste" describes abandoned electrical or electronic
equipment that has outlived its useful life, such as computers, cellphones, televisions, batteries, and
household appliances. The improper handling and disposal of E-waste pose serious risks to both human
health and the environment due to the presence of harmful materials such as Pb, Hg, Cd, and brominated
flame retardants. Figure 1 shows the uses of E-waste.
 90 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure 1. Uses of E-waste.

Asia is the biggest generator of E-waste globally. In 2019, the Asian continent produced approximately
24.9 million metric tonnes (MT) of E-waste, accounting for nearly half of the global total that year. Effective
E-waste management is crucial to address the eco-friendly and social consequences of this increasing
crisis. Without proper systems in place, E-waste frequently ends up in landfills or is managed under
unsafe conditions in informal sectors, leading to soil, air, and water pollution (Ghimire and Ariya 2020).
These environmental hazards also translate into social issues, particularly in developing countries where
unregulated recycling practices expose vulnerable communities to toxic substances, increasing the risk of
chronic diseases and developmental issues.
On the other hand, implementing sustainable E-waste management strategies like recycling, refurbishing,
and responsible disposal not only reduces ecological harm but also supports the circular economy
by recovering useful materials such as Au, Cu, and rare earth metals. This promotes environmental
sustainability while creating economic opportunities and encouraging responsible consumption and
production patterns. In this context, understanding the challenges and solutions surrounding E-waste
handling is vital for building a more sustainable, equitable, and tech-savvy society.
HEALTH EFFECTS OF E-WASTE
E-waste confines a complex mixture of toxic substances, including Pb, Hg, Cd, As, and flame retardants.
When E-waste is burned or dismantled improperly—often in informal recycling sectors—these toxic
elements can seep into the soil, water, and air. Exposure to such pollutants can have serious implications
for human health.
The health effects of E-waste are far-reaching. Children and pregnant women are particularly vulnerable.
Lead exposure, for example, can damage the nervous system and hinder brain development in children
(Parvez et al., 2021). Mercury can impair cognitive function and motor skills, while cadmium exposure
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 91

may lead to kidney damage and bone degradation. Laborers in informal E-waste recycling sectors often
experience from respiratory problems, skin disorders, and long-term chronic illnesses due to constant
exposure to toxic dust and fumes.
Furthermore, communities living near unregulated E-waste dumps or processing areas face heightened
risks. To mitigate these health risks, stricter regulations on E-waste handling, public awareness, and
investment in safer recycling technologies are essential. Proper E-waste management not only protects
human health but also promotes sustainable development and resource conservation.
LITERATURE AND WORLD SCENARIO OF E-WASTE
As of 2022, the world produced an projected 62 million MT of E-waste, demonstrating an 82% rise since
2010. This surge is driven by factors such as increased consumption of electronic appliances, shorter
product lifespans, and inadequate repair options (Priyashantha et al., 2022; E-waste Monitor; 2024, WHO,
2024). India has experienced a significant increase in E-waste production over recent years. According to
data presented in the Rajya Sabha, E-waste generation rose from 1.01 million MT in 2019–20 to 1.751 million
MT in 2023–24, marking a 72.54% increase over five years (India’s E-waste management, 2025; Tancredi
2024). This surge is largely attributed to the growing use of electrical and electronic devices across the
country. Figure 2 indicates the world E-waste quantities, estimates, and total E-waste by category.
The United States generates a huge volumes of E-waste annually, reflecting its high consumption of
electronic devices. According to

Figure 2. Global E-waste quantities, estimates, and total E-waste by category.

the World E-waste Statistics Partnership, in 2022, the U.S. produced approximately 4.054 million MT of
E-waste, equating to about 21.3 kilograms per person (The Global E-waste Monitor 2024). As of 2019,
China was the world's greatest producer of e-waste, with an annual production of about 10.1 million
MT. India ranked third in the world after China and the US, producing over 3.2 million MT of e-waste
annually. (Global E-waste Statistics, 2025). In 2019, the Arab States generated E-waste containing valuable
materials worth an estimated USD 3 billion, including 13 MT of gold and 0.47 MT of rare earth metals.​
Over 99% of E-waste in the region is not collected or sent to environmentally sound management facilities,
with most ending up in landfills (Iatoni et al., 2021).
 92 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

CONCLUSION
Managing e-waste has become a crucial concern in the modern world, which is becoming more digital and
consumer driven. Large volumes of electronic waste have been produced as a result of the quick turnover
of electronic equipment, which is driven by customer demand and technological innovation. Both the
environment and human health are seriously threatened by improper disposal and uncontrolled recycling
of this garbage. Particularly in areas where informal e-waste processing is common, toxic heavy metals
found in e-waste can contaminate soil and water sources, degrade air quality, and ultimately result in
major health problems for populations.
From a societal perspective, the effects are far-reaching. Informal E-waste handling often involves low-
income workers, including children, who are exposed to hazardous conditions without proper protection
or training. Moreover, the loss of valuable materials due to improper recycling practices represents a
significant economic and resource inefficiency.
To mitigate these issues, effective E-waste management practices must be implemented and enforced.
These include promoting producer responsibility, encouraging eco-design of products, increasing
consumer awareness, and strengthening recycling infrastructure. Governments, industries, and
individuals must work together to create a sustainable and circular economy where electronics are
responsibly manufactured, used, and disposed of.
In conclusion, managing E-waste responsibly is not only an environmental necessity but a social obligation.
By taking proactive steps today, we can protect our planet, support healthier communities, and ensure
sustainable development for future generations.
REFERENCES
1. Parvez, S., Jahan, F., Bruné, M., Gorman, J., Rahman, M., Carpenter, D., Islam, Z., Rahman, M., Aich, N., Knibbs, L., &
Sly, P. (2021).
2. Health consequences of exposure to E-waste: an updated systematic review. The Lancet. Planetary Health, 5, e905 - e920.
3. Priyashantha, A. K. H., Pratheesh, N., & Pretheeba, P. (2022). E-waste scenario in South Asia: an emerging risk to en-
vironment and public health. Environmental Analysis Health and Toxicology, 37(3), e2022022.
4. E-waste Monitor. (2024, December 12). The Global E-waste Monitor 2024 - E-waste Monitor. Retrieved from https://
[Link]/the-global-E-waste-monitor-2024/World Health Organization: WHO. (2024, October 1). Elec-
tronic waste (E-waste).
5. Retrieved from [Link] India’s E-waste
management. (2025). Retrieved from [Link] updates/daily-news-analysis/indi-
as-E-waste management Tancredi, S. (2024, December 18). India’s E-Waste surges by 73% over the last 5 years: report.
6. Sigma Earth. Retrieved from [Link] Global E-waste Statistics. (2025). Retrieved from [Link]
com/blog/global-E-waste- statistics.
7. G. Iatoni, E. Vermeersch, C.P. Baldé, I.C Nnorom, R. Kuehr, (2021) Regional E-waste monitor for the Arab States,
1-109.
8. Ghimire, H., & Ariya, P. A. (2020). E-wastes: Bridging the knowledge gaps in global production budgets, composition,
recycling and sustainability implications. Sustainable Chemistry, 1(2), 154–182.
 19
Modeling and Simulation of Process coupling in
Sustainable Esterification by Pervaporation
D S V J P Koteswari M1 , Suggala V. Satyanarayana2
1
Department of Chemical Engineering, RGUKT-R K Valley, Idupulapaya
2
Professor of Chemical Engineering, JNTUA College of Engineering, Anantapuramu

ABSTRACT
Esterification, an essential reaction in both the chemical and pharmaceutical fields, often encounters equilibrium
constraints that limit the product yield. Pervaporation, a unique membrane separation process involving
phase change, offers a successful remedy to these limitations by selectively eliminating either water which is an
esterification byproduct or ester which is the main product of concern and shifting the chemical balance toward
product production. This work investigates the integration of pervaporation with esterification, highlighting the
significance of precise pervaporation modeling in ensuring sustainable and efficient process coupling. Empirical
models reported in literature were investigated for their impact on estimating final composition of the products. The
effect of non ideality nature of components was also considered by incorporating activity coefficients into the model
through UNIFAC method. By creating robust models that simulate this hybrid pervaporation coupled esterification
process, it is feasible to anticipate membrane performance, optimize operational conditions, and analyze energy
efficiency. Furthermore, pervaporation modeling improves reactor design by allowing for process intensification
while minimizing energy consumption and waste creation. This combined approach not only increases yield, but
also adheres to the principles of green chemistry and sustainable process design. The incorporation of pervaporation
models into esterification processes thus has transformational potential, providing a path to eco-friendly production
methods that are both economically and environmentally advantageous.
Keywords: Pervaporation, Esterification, Non-Ideal system, Modeling and Simulation, Process Intensification
 94 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

INTRODUCTION
Esterification reactions hold a pivotal role in the synthesis of awide array of chemical compounds,
serving as a cornerstone process within both the chemical and pharmaceutical industries (Makertiharta
& Dharmawijaya, 2017). However, a significant challenge in esterification lies in its inherent equilibrium
limitations, which often restrict the achievable product yield (Jyoti et al., 2015; Makertiharta &
Dharmawijaya, 2017). This equilibrium can limit the conversion of reactants to products, resulting in
lower yields and necessitating additional separation and purification steps. Overcoming these limitations
is essential to improve the efficiency and economic viability of esterification processes, driving the need
for innovative techniques to shift the equilibrium towards product formation.
Traditional methods employed to drive esterification reactions toward completion often involve the use
of excess reactants, high temperatures, or the removal of water through distillation (Mahdavian & tofigh
kouzekonani, 2015). These drawbacks highlight the need for more sustainable and efficient methods
to enhance esterification reactions, aligning with the principles of green chemistry and promoting
environmentally friendly manufacturing practices.
PERVAPORATION: AN INNOVATIVE SOLUTION FOR ESTERIFICATION
Esterification
Pervaporation is a membrane separation process that can overcome equilibrium limitations (Castro-Muñoz
et al., 2018; Jyoti et al., 2015).It selectively removes water or ester to shift the reaction equilibrium(Mahdavian
& tofigh kouzekonani, 2015; Makertiharta & Dharmawijaya, 2017). Pervaporation can be integrated with
esterification to enhance process efficiency and sustainability (Khudsange & Wasewar, 2017; Quintero-
Arias et al., 2023). Pervaporation emerges as an innovative and promising solution for overcoming the
equilibrium limitations inherent in esterification reactions, offering a pathway to enhance product yield
and process efficiency (Castro-Muñoz et al., 2018; Jyoti et al., 2015).
THE SIGNIFICANCE OF PERVAPORATION MODELING
Accurate modeling is crucial for designing efficient pervaporation-coupled esterification processes.
Modeling aids in analyzing energy efficiency and reducing waste(Chandane et al., 2016; Mahdavian &
tofigh kouzekonani, 2015; Quintero-Arias et al., 2023)the esterification reaction of propionic acid with
isobutyl alcohol to produce isobutyl propionate and water was studied. The performance of esterification
reaction was compared by using the batch process and the pervaporation assisted hybrid process which
performs the reaction and separation simultaneously. A polyvinyl alcohol–polyethersulphone (PVA–PES.
One of the primary benefits of pervaporation modeling is its ability to predict membrane performance,
including flux and selectivity, under different operating conditions, such as temperature, pressure,
and feed composition (Chandane et al., 2016; Quintero-Arias et al., 2023)the esterification reaction
of propionic acid with isobutyl alcohol to produce isobutyl propionate and water was studied. The
performance of esterification reaction was compared by using the batch process and the pervaporation
assisted hybrid process which performs the reaction and separation simultaneously. A polyvinyl alcohol–
polyethersulphone (PVA–PES. This predictive capability is essential for designing robust and efficient
pervaporation units that can effectively enhance esterification reactions.
Pervaporation modeling also provides valuable insights into the energy efficiency of the integrated process,
aiding in the identification of strategies to reduce energy consumption and minimize waste generation
(Mahdavian & tofigh kouzekonani, 2015). This study develops and simulates a generalized mathematical
model for the esterification reaction between ethanol and acetic acid.
For pervaporation coupled esterification modeling, two empirical models that have been published in the
literature were examined. The available experimental data published in the literature was used to validate
the model.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 95

Model development for Pervaporation coupled Esterification:

Overall, the esterification reaction between ethanol and acetic acid exhibits second order reaction kinetics,
although first order kinetics for each component.
All other elements present at any given time, with the exception of water, are assumed to have zero fluxes.
Only water can flow across a hydrophilic membrane. The fluxes of every other element are insignificant.
Below are the governing equations for the esterification of ethanol and acetic acid.
The following is a schematic representation of the esterification reaction between ethanol and acetic acid
that yields ethylacetate and water:
The esterification reaction's rate of ester production can be expressed as follows:
The effect of non ideal nature can be studied by taking actual concentration terms in modeling through
activity coefficients calculated from UNIFAC group contribution method(Zou et al., 2010). Empirical
relations between flux and concentration of water can be assumed with modeling in linear and non linear
form reported in literature as follows(Ajit [Link], n.d.; Hasanoğlu & Dinçer, 2011)
Coupled model was simulated for esterification of acetic acid and ethanol to form ethyle acetate and water
and experimental data reported in literatature was used for analysis(Hasanoğlu et al., 2009)permselective
to ethyl acetate formed by reaction. In this way, conversions were increased by continuous removal of ethyl
acetate from the reaction media. Conversions are found to increase with an increase in both molar ratios of
reactants and temperature. Temperature has a strong influence on the performance of the pervaporation
membrane reactor because it acts on both the esterification kinetics and pervaporation.","container-title":"
Desalination","DOI":"10.1016/[Link].2009.02.034","ISSN":"00119164","issue":"1-3","journalAbbreviation":"
Desalination","language":"en","license":"[Link]
669","source":"[Link] (Crossref
RESULTS AND DISCUSSION:
Rate constants were estimated initially through kinetic modeling and used for pervaporation coupled
modeling.
Comparison results for experimental data and model results were shown in figure 1 and figure 2. RMSD
values of models suggest that non linear relation between flux and concentration of water gives better
results than the linear relation.
Table 1: Values of fitted Parameters for pervaporation coupled esterificaton

Empirical Model Empirical Constant Value RMSD

Linear kpv_1inear 2.81*10-12 0.03761

kpv1_nonlinear 0.001798
Nonlinear 0.00545
kpv2_nonlinear 0.002999
 96 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Fig. 1: Modeling of Pervaporation Coupled Esterification with non-linear relation between flux and water concentration

Fig. 2: Modeling of Pervaporation Coupled Esterification with linear relation between flux and water concentration

CONCLUSION
The model equations for the pervaporation coupled reaction were developed using the available reaction
kinetics and pervaporation data for the esterification of acetic acid with ethanol. The efficacy of two
empirical models that have been published in the literature was examined. It was discovered that the
nonlinear relationship between flow and water concentration produces superior outcomes compared to
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 97

the linear relationship. The robustness of pervaporation linked esterification can be increased by using
theoretical models for pervaporation.
REFERENCES
1. Ajit [Link], K. L. W. (n.d.). Intensification of Esterification of Acetic Acid with Ethanol by Pervaporation Reactor:
Modeling and Simulation. International Proceedings of Chemical, Biological and Environmental Engineering.
2. Castro-Muñoz, R., Iglesia, Ó. D. L., Fíla, V., Téllez, C., & Coronas, J. (2018). Pervaporation-Assisted Esterification Reac-
tions by Means of Mixed Matrix Membranes. Industrial & Engineering Chemistry Research, 57(47), 15998–16011. https://
[Link]/10.1021/[Link].8b01564
3. Chandane, V. S., Rathod, A. P., & Wasewar, K. L. (2016). Enhancement of esterification conversion using pervaporation
membrane reactor.
4. Hasanoğlu, A., & Dinçer, S. (2011). Modelling of a pervaporation membrane reactor during esterification reaction
coupled with separation to produce ethyl acetate. Desalination and Water Treatment, 35(1–3), 286–294. [Link]
org/10.5004/dwt.2011.2598
5. Hasanoğlu, A., Salt, Y., Keleşer, S., & Dinçer, S. (2009). The esterification of acetic acid with ethanol in a pervaporation
membrane reactor. Desalination, 245(1–3), 662–669. [Link]
6. Jyoti, G., Keshav, A., & Anandkumar, J. (2015). Review on Pervaporation: Theory, Membrane Performance, and Applica-
tion to Intensification of Esterification Reaction. Journal of Engineering, 2015, 1–24. [Link]
7. Khudsange, C. R., & Wasewar, K. L. (2017). Process intensification of esterification reaction for the production of propyl bu-
tyrate by pervaporation.
8. Mahdavian, M., & tofigh kouzekonani, araz. (2015). Modeling of esterification in a batch reactor coupled with per-
vaporation for production of ethyl acetate catalyzed by ion- exchange resins. Advances in Environmental Technology,
1(2). [Link]
9. Makertiharta, I. G. B. N., & Dharmawijaya, P. T. (2017). Progress on Zeolite-membrane-aided Organic Acid Es-
terification. IOP Conference Series: Materials Science and Engineering, 214, 012012. [Link]
899X/214/1/012012
10. Quintero-Arias, J. D., Dobrosz-Gómez, I., De Lasa, H., & Gómez-García, M.-Á. (2023). Pervaporation Membrane-Cata-
lytic Reactors for Isoamyl Acetate Production. Catalysts, 13(2), 284. [Link]
11. Zou, Y., Tong, Z., Liu, K., & Feng, X. (2010). Modeling of Esterification in a Batch Reactor Coupled with Pervapora-
tion for Production of n-Butyl Acetate. Chinese Journal of Catalysis, 31(8), 999–1005. [Link]
2067(10)60100-3
 20
Bidirectional RNN Based Molecule Generation for
RTK Targets Using AI for Sustainable Drug
Discovery
J. Elakkiya, Premkumar
Department of Computer Science (Artificial Intelligence & Machine Learning), Rajiv Gandhi National Institute of
Youth Development, Sriperumbudur, Tamilnadu, India.

ABSTRACT
Drug discovery is a complex, time-consuming, and costly process. The amount of time and money spent to bring
a single drug to market is very high. When addressing rare diseases, the challenge is even more complex, due to
limited patient data and less commercial benefits for the same. This issue comes as a hindrance in addressing rare
[Link] drug discovery involves the following elaborate and laborious steps, target identification, high-
throughput screening, lead compound optimization, and extensive clinical trials. All this process involves manual
experimentation and trial-and-error methods which takes considerable time and money. AI techniques can analyze
vast biomedical datasets, identify hidden patterns, suggest drug-target interactions, and come up with novel molecular
structures with high therapeutic potential. In this work a Bidirectional Molecule Generation framework(BMGF)
utilizes Bidirectional RNNs to design novel molecules targeting Receptor Tyrosine Kinases (RTKs) from ChEMBL,
ZINC, and GPCRdb databases, comprising approximately 2474590 molecules at first step of traning. BMGF
framework uses a bi-directional Recurrent Neural Network architecture to capture the sequential dependencies of
molecules in both forward and backward directions. It has a filtering mechanism to select valid molecules that satisfy
specific drug-like properties and exclude molecules with undesired features. This model generates about 2,000 novel
molecules that meet the filtering criteria and exhibit high chemical diversity. BMGF framework generates diverse
and valid molecules for RTKs target and it discovers new [Link] report utilized a bimodal approach, and results
were generated using Bimodal RNN. Integrating AI and deep learning techniques can revolutionize medicine and
lead to more personalized and effective treatments for patients with rare and challenging diseases.
Keywords: Drug Discovery, Bidirectional RNN, Receptor Tyrosine Kinases, Molecule Generation, Artificial
Intelligence
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 99

1. INTRODUCTION
Nowadays, new or rare diseases affect only a small number of people, while the number is higher
worldwide. Drug discovery for rare diseases is a big challenge because the number of patients are less,
funding is also limited and there is no data about diseases [1]. Receptor Tyrosine Kinases (RTKs) are
proteins molecules is an important role in finding many rare diseases and cancers. By using RTKs proteins
is a useful strategy in drug development [2].
Artificial Intelligence, especially Deep learning techniques, is utilized in process of drug discovery. It
helps the researcher explore chemical space and chemical compounds. Based on the chemical compounds,
the researcher predicts a drug that may work for rare diseases[3].The Simplified Molecular Input Line
Entry System (SMILES) format used to represent molecules as strings and it make easy to design a deep
learning models to process chemical structures.
Bidirectional Recurrent Neural Network (BiRNN) is a one of the type of Recurrent Neural Network (RNN)
architecture that processes data in both forward and backward directions. This allows the model to have
access to both past and future context at each time step, it especially useful for tasks like bioinformatics.
Bidirectional Recurrent Neural Networks (BiRNNs) can learn from these SMILES strings to generate new,
valid molecules [4]. Studies show that such AI models can create novel molecules with good drug-like
properties [5,6].
2. LITERATURE SURVEY
Drug discovery, particularly for new or rare and complex diseases, faces challenges because of data
unavailability[1]. Recent advancements in artificial intelligence have demonstrated the efficacy of deep
learning models, notably Bidirectional Recurrent Neural Networks (BiRNNs), in accelerating and
optimizing this process. BiRNN-based frameworks, such as BIMODAL and CNSMolGen, have proven
superior in generating novel molecules with high chemical diversity, validity, and drug-likeness by
capturing the sequential dependencies of SMILES strings in both forward and backward directions[3]
[4]. These models outperform unidirectional architectures in novelty and scaffold diversity, essential for
discovering molecules with new mechanisms of action. Integrating BiRNNs with molecular fingerprints
(e.g., RDKit) and generative methods like autoencoders and GANs further enhances predictive capabilities
[8][9].
Data augmentation strategies, such as SMILES randomization, have also been used in conjunction with
BiRNNs to improve generalization across chemical space [20]. These methods have shown promise in
domains like toxicity prediction, CNS drug design, and rare disease therapeutics by identifying target-
specific interactions and generating valid, synthesizable molecules from databases like ChEMBL and
ZINC [5][6]. As a result, BiRNNs stand at the forefront of revolutionizing drug discovery, offering data-
efficient, scalable, and accurate solutions that align with personalized and precision medicine goals.
3. PROPOSED SYSTEM
3.1 Dataset Preparation
ChEMBL is the manually curated database of bioactive molecules, their prop- erties, and their activities
against biological targets. It is used primarily for drug discovery and development. It provides a
comprehensive source of chemical and physical data that can be used to identify potential drug targets
and lead compounds, optimize drug design and development, and understand the mech- anisms of action
of drugs. The data representation in ChEMBL is in molecular structures, which can also be represented
in a molecular file format such as SMILES [7]. ChEMBL offers details on the biological activity of the
compounds in the database, including their potency, effectiveness, and specificity. This in- formation can
help us train our model on the dataset and obtain well-efficient results.
100 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

The useful properties in ChEMBL like canonical_smiles, molecular weight, logP, hydrogen bond
acceptors/donors, and QED scores. Data is cleaned by removing entries that were incomplete or not
chemically meaningful.
3.2 Preprocessing
Preprocessing of ChEMBL data is an essential step to make it worthwhile for applications such as drug
discovery. Preprocessing of ChEMBL data is a cru- cial step to make it useful for multiple applications
such as drug discovery. We describe the preprocessing steps to convert ChEMBL data into a CSV format
containing helpful information. The ChEMBL database is an extensive, publicly available database of
bioactive molecules, their targets, and their associated activities. It contains a wealth of information that
can be used to study drug-target interactions and drug dis- covery. However, the raw ChEMBL data is
not in a readily usable format for analysis. Hence, it needs to be preprocessed to extract useful information
and convert it into a form that is more accessible.
3.3 Data Extraction
We downloaded the ChEMBL database in an SQLite format from the ChEMBL website. We then extracted
the required data from the database using SQL queries. Our Data was represented in .csv format with
many columns.
3.4 Data Cleaning
We cleaned the extracted data to remove duplicates, inconsistencies, or errors. We also removed any data
that was not relevant for our analysis.
3.5 Data Transformation
We transformed the cleaned data into a suitable format for analysis. We con- verted the data into a CSV
format and added additional columns to provide more helpful information.
3.6 Data Enrichment
We enriched the data by adding additional information to the CSV file. This included information such
as the compound’s ID, structure, SMILES string, etc. In conclusion, preprocessing of ChEMBL data is an
important step to make it useful for analysis. The preprocessing steps included data extraction, cleaning,
transformation, and enrichment. The resulting CSV file contained useful infor- mation that was given to
our model. The file’s name is [Link], and it has 363387 rows of SMILES string. The file is shown below
in Figure 1.

Figure 1. chembl_data.csv
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 101

4. MODEL ARCHITECTURE AND TRAINING

The Bi-RNN model architecture can be based on either a simple RNN or a Long Short-Term Memory
(LSTM) network. The model should be designed to learn the sequence of characters or tokens that make
up a molecule. There are steps involved in the framework, as shown in figure 2.

Figure 2: Framework of Bi-RNN

The Architecture works as the Smiles string are converted to one-hot encoding; the processed data is then
trained on Recurrent Neural Network. The sampling data is then collected and passed in one hot encoder
again, generating the new Smiles strings. We can convert the Smiles string into a molecular structure with
the help of Library RD-Kit
Training:
The next step is to train the RNN model on the prepared dataset of molecules. This involves minimizing
the model’s loss function, which measures the difference between the predicted and actual sequences of
characters or tokens. The framework was trained on 3 epochs with 5-folds split was used to distribute
the dataset and four out of five model is successfully trained. The training used Adam optimizer with a
learning rate was fixed as 0.001 and gradient clipping was applied to enhance training stability.
Sampling:
After training, the model can generate new molecules by sampling from the learned distribution. This is
typically done by feeding in a starting character or token and recursively predicting the next symbol or
token until the end of the molecule is reached
Optimization:
Finally, various methods exist to optimize the generated molecules to improve their drug-like properties
or other desired properties. This can involve filtering out molecules that violate specific rules or optimizing
the molecular properties using various algorithms.
The BiRNN model had the following structure such as : An embedding layer to convert tokens into vectors,
Two layers of Bidirectional LSTM with 512 units each and A final linear layer to predict the next token.
The models is trained using CrossEntropyLoss and the Adam optimizer. Gradient clipping was applied
to improve training stability. Out of five models, four models are trained successfully. Each model was
trained for one full pass over the data.
102 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure 3. Steps of Bi-RNN

4.1 Molecule Generation

Molecules were generated one token at a time. It started with the token 'C' and used a temperature-
controlled sampling method to choose each next token. We generated over 1000 candidate SMILES strings.
RDKit [9] was used to check which molecules were valid and to remove any incorrect ones. This process
is similar to methods used in tools like ChemVAE and REINVENT [10,11].

4.2 DRUG-LIKENESS FILTERING

We calculated the QED score for each generated molecule. Molecules with QED ≥ 0.5 were kept. The
highest QED score was 0.76, and 73 molecules passed this threshold.
We also applied Lipinski's Rule of Five, which checks molecular weight, LogP, and hydrogen bonding
properties. This helps find molecules that are more likely to be effective drugs [12].
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 103

5. FINE-TUNING AND TARGETED GENERATION

5.1 Fine-Tuning on Kinase Inhibitors
To focus the model on kinase inhibitors are the selected a subset of kinase inhibitors from ChEMBL based
on their activity, the same preprocessing steps were applied, The BiRNN model was fine-tuned using
a smaller learning rate and trained for fewer [Link] fine-tuning, new molecules were generated,
validated, and filtered using the same QED and Lipinski rules. This strategy has been used before in
transfer learning studies [13].
5.2 Fine-Tuning on RTK-Specific Compounds
To further specialize the model for RTK targets such as collected RTK-specific molecules using annotations
and [Link] kinase model was further fine-tuned using this RTK-specific dataset and New SMILES
were generated, checked for validity, and filtered.
Extra analysis was done using Tanimoto similarity, scaffold similarity, and docking studies. These help
assess the novelty and usefulness of the generated compounds in figure 3 and 4 [14].

Figure 3. BMGF model

Figure 4. Valid novel molecule for RTKs and Kinase

6. CONCLUSION
This study shows how BiRNN models can generate new drug-like molecules. Starting with general
molecules from ChEMBL,to trained and fine-tuned models to create compounds for rare disease targets.
104 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

These AI methods provide a powerful way to find new drugs, especially when data and resources are
limited.
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1. Griggs, R. C., Batshaw, M., Dunkle, M., Gopal-Srivastava, R., Kaye, E., Krischer, J., ... & Merkel, P. A. (2009). Clinical
research for rare disease: Opportunities, challenges, and solutions. Molecular Genetics and Metabolism, 96(1), 20–26.
[Link]
2. Lemmon, M. A., & Schlessinger, J. (2010). Cell signaling by receptor tyrosine kinases. Cell, 141(7), 1117–1134. https://
[Link]/10.1016/[Link].2010.06.011
3. Vamathevan, J., Clark, D., Czodrowski, P., Dunham, I., Ferran, E., Lee, G., ... & Bender, A. (2019). Applications of
machine learning in drug discovery and development. Nature Reviews Drug Discovery, 18(6), 463–477. [Link]
org/10.1038/s41573-019-0024-5
4. Bjerrum, E. J. (2017). SMILES enumeration as data augmentation for neural network modeling of molecules. arXiv
preprint arXiv:1703.07076.
5. Zhavoronkov, A., Ivanenkov, Y. A., Aliper, A., Veselov, M. S., Aladinskiy, V. A., Aladinskaya, A. V., ... & Zholus,
A. (2019). Deep learning enables rapid identification of potent DDR1 kinase inhibitors. Nature Biotechnology, 37(9),
1038–1040. [Link]
6. Segler, M. H. S., Kogej, T., Tyrchan, C., & Waller, M. P. (2018). Generating focused molecule libraries for drug discov-
ery with recurrent neural networks. ACS Central Science, 4(1), 120–131. [Link]
7. Gaulton, A., Hersey, A., Nowotka, M., Bento, A. P., Chambers, J., Mendez, D., ... & Leach, A. R. (2017). The ChEMBL
database in 2017. Nucleic Acids Research, 45(D1), D945–D954. [Link]
8. Gupta, A., Müller, A. T., Huisman, B. J. H., Fuchs, J. A., Schneider, P., & Schneider, G. (2018). Generative recurrent
networks for de novo drug design. Molecular Informatics, 37(1–2), 1700111. [Link]
9. RDKit. (n.d.). Open-source cheminformatics. [Link]
10. Gómez-Bombarelli, R., Wei, J. N., Duvenaud, D., Hernández-Lobato, J. M., Sánchez-Lengeling, B., Sheberla, D., ... &
Aspuru-Guzik, A. (2018). Automatic chemical design using a data-driven continuous representation of molecules.
ACS Central Science, 4(2), 268–276. [Link]
11. Olivecrona, M., Blaschke, T., Engkvist, O., & Chen, H. (2017). Molecular de-novo design through deep reinforcement
learning. Journal of Cheminformatics, 9, 48. [Link]
12. Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001). Experimental and computational approaches to
estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews,
46(1–3), 3–26. [Link]
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Central Science, 3(4), 283–293. [Link]
14. Polykovskiy, D., Zhebrak, A., Vetrov, D., Ivanenkov, Y., Aladinskiy, V., Mamoshina, P., ... & Zhavoronkov, A. (2020).
Molecular sets (MOSES): A benchmarking platform for molecular generation models. Frontiers in Pharmacology, 11,
565644. [Link]
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sive literature review. Heliyon, 10(20), e39038. [Link]
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ical Science, 11(4), 1153–1164. [Link]
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print arXiv:2210.08749.
18. Honda, S., Shi, S., Ueda, H. R., & Sese, J. (2019). SMILES Transformer: Pre-trained mo-
lecular fingerprint for low data drug discovery. arXiv preprint arXiv:1911.04738.
De Cao, N., & Kipf, T. (2018). MolGAN: An implicit generative model for small molecular graphs. arXiv preprint arX-
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20. Hu, B., Liu, Q., Wang, J., & Zhao, T. (2024). Drug discovery SMILES-to-pharmacokinetics diffusion models with deep
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Information and Modeling. [Link]
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neural architecture search. Digital Discovery, 3(8), 1534–1553. [Link]
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 21
Solubility Modeling of Some Antibiotic Drugs in
Supercritical Carbon Dioxide
Udhayasri.T, Varsha.P, Chandrasekar Garlapati
Department of Chemical Engineering, Puducherry Technological University, Puducherry

ABSTRACT
Solubility modeling of Antibiotics is crucial for optimizing pharmaceutical formulation and enhancing drug delivery
system. In this study the solubility of some antibiotics in supercritical carbon dioxide are correlated using Chrastil
model, Bartle et al. Model, del Valle and Aguilera model and Improved del Valle and Aguilera model. These empirical
models provide thermodynamic information of solubility. Solubility data are correlated with the four models and
the results are indicated in terms of absolute average relative difference percentage. The results demonstrate that
all the four models effectively describe the solubility behavior, however, the Improved del Valle and Aguilera
model providing slightly improved correlation. The better correlation may be attributed to the introduction of new
temperature expression that accounts heat of vaporization enthalpy. Additionaly, the Solvation enthalpy for the
Antibiotics were estimated.
Keywords: Antibiotics, Bartle et al. Model, Chrastil Model, and del Valle and Aguilera Model and Improved
del Valle model Supercritical Carbon Dioxide

INTRODUCTION
In recent years, the application of supercritical carbon dioxide (SC-CO₂) in pharmaceutical processes has
gained significant attention due to its unique properties and environmental advantages. One of its key
applications lies in enhancing drug solubility and improving drug delivery systems. Despite ongoing
research, the solubility behavior of various antibiotics in SC-CO₂ remains an area with several unexplored
aspects. This study focuses on modeling the solubility of selected antibiotics such as Clarithromycin,
Clemastine Fumarate, Clindamycin, Erythromycin, and Metronidazole Benzoate in supercritical carbon
dioxide. While earlier studies have utilized empirical models like Chrastil, Bartle et al., and the del Valle and
Aguilera model, there still exists a need to explore improved correlations that account for thermodynamic
influences more accurately.
To address this gap, the present work includes a Improved del Valle and Aguilera model that incorporates
five parameters to better capture the temperature dependence of solubility. The inclusion of this model
 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 107

aims to enhance the precision of solubility predictions, particularly by compensating for the vaporization
enthalpy effect. By comparing the performance of all four models, this work contributes valuable insights
into selecting the most reliable approach for modeling antibiotic solubility in SC-CO₂.
MATERIALS AND METHODS
Chrastil Model (1982)
This model is based on solvate complex formation and relates solute concentration to solvent density and
temperature using three parameters.
Model Equation,
 B 
=Cm ( ρ m1 ) k exp  A1 + 1  (1)
 T 

 B1 
ρ k exp  A1 +
1
 T 
y2 =
 B 
1 + ρ1k exp  A1 + 1  (2)
 T 

Bartle et al. Model (1991)

It was developed based on the linear relationship between natural logarithm of enhancement factor with
density of pure Sc-co₂ by replacing vapour pressure for reference pressure ( = 1bar) due to the unavailability
of vapour pressure data for solid solute and including intercept at references density (= 700kg/m^3)
instead at zero density in order to reduce the error in correlation.
Model Equation,
y2 P B
In | |= A2 + 2 + C2 ( ρ − ρ ref (3)
Pref T

del Valle and Aguilera model (1999)

This model was developed for predicting the solubility of vegetable oil in compressed co₂ as a function
of the solute’s heat of vaporization with temperature. This is the improved equation of Chrastil model.
Model Equation,
a b
C k In ρ +
In= + +c (4)
T T2
Local values were evaluated as
H = R(b+2c/T)

Improved del Valle andd Aguilera (2025)

However, the del Valle and Aguilera Model shows limitations when applied over a wide range of
temperatures. To overcome these limitations, a modified form of the model has been proposed in this
study to enhance accuracy and improve correlation with experimental data.
This improved model shows better relationship between solubility, temperature, and density. This is the
improved equation of del Valle and Aguilera.
Model Equation,
b d
In
= C k In( ρ ) + a + + c In (T ) + 2 (5)
T T
108 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Local (T) Values were evaluated as

2d
H = R (b − cT + )
T
METHODOLOGY
Five Antibiotic compounds namely Clarithromycin, Clemastine Fumarate, Clindamycin, Erythromycin,
and Metronidazole Benzoate are considered for the modeling. Experimental data details are summarized
in Table 1. Nonlinear regression is performed with L-M algorithm (using Polymath software). The model
equation (2),(3),(4) and (5) were regressed with solubility data and the regression results are tabulated
in Table 2, Table 3 and Table 4. A higher R² value, nearing 1, signifies the model's proficiency in closely
predicting data points compared to experimental values.
Coefficient of Regression,

(6)

To improve the precision of evaluating models with varying numbers of curve fitting parameters, the
Average Absolute relative Deviation Percentage with respect to the adjustable parameters (AARDZ)
is computed. This criterion offers a more accurate measure for comparing the accuracy of models by
considering the average absolute differences between predicted and actual values across the datasets.
Equation,

(7)

RESULTS AND DISCUSSION

As stated earlier the Antibiotic drugs considered in the present study are Clindamycin, Clarithromycin,
Clemastine fumarate, Erythromycin, and Metronidazole benzoate. These compounds represent various
classes of antibiotics such as Lincosamides, Macrolides, Antihistamines with Antimicrobial activity,
and Nitroimidazoles. Detailed information on each antibiotic, including molecular weight, number of
solubility data points, solubility range in mole fraction, temperature range in K, and pressure range in
bar, is presented in the below Table [Link] Tables 6 & 7 indicates the Calculated thermodynamic quantities
such as heat of reaction(obtained from Chrastil model constant),heat of vaporization (obtained from del
Valle and Aguilera and improved del Valle and Aguilera model). The formulas used in the calculations
are indicated the table. It is important to note that the values obtained are in joule/mole. But the reported
values are in kJ/mol
Table 1. Data Range of Compounds Considered in This Work.

Molecular Pressure
Solubility Temperature No. of Data
[Link] Binary System Weight (kg/ Range Reference
Range ×10-⁵ Range (K) Points
kmol) (bar)
Claindamycin-SC-
1 275.26 7–45.5 308–348 122–355 32 4
CO₂
Clarithromycin-
2 460.0 0.161–0.941 308–338 120–270 24 4
SC-CO₂
Erythromycin-SC-
3 733.9 4.3–31.2 308–348 122–355 45 4
CO₂
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 109

Clemastine
4 425.0 17.1–114.6 308–348 122–355 45 5
fumarate-SC-CO₂
Metronidazole
5 748.0 13.1–32.8 308–348 122–355 45 6
Benzoate-SC-CO₂

Table 2. Model Parameters and Their corresponding AARDZ% Values for Bartle et al. Model

Compound a b c R² AARDZ %

9.608
Clindamycin 14.6324 -5657.86 0.00632 0.96

9.623
Clarithromycin 8.0766 -3733.73 0.00495 0.82

25.194
Clemastine fumarate 22.3831 -6665.92 0.00749 0.78

Erythromycin 12.3617 -5378.6 0.00787 0.95 9.695

Metronidazole
24.072957 -8709.434 0.0119822 0.96 19.925
Benzoate
Global Value 0.89 14.809

Table 3. Model Parameters and Their Corresponding AARDZ% Values for Chrastil Model

Compound k a b R² AARDZ%

Clindamycin 2.1070853 -10.852871 -3744.4019 0.97 7.773

Clarithromycin 1.1369422 -11.156705 -1790.4356 0.96 3.608

Clemastine
2.6286091 -7.9370159 -4264.8661 0.83 21.772
fumarate
Erythromycin 3.0155325 -19.379556 -3350.1973 0.96 9.695
Metronidazole
6.2342369 -28.775969 -6675.5545 0.95 21.679
Benzoate
Global value 0.93 12.905

Table 4. Model Parameters and Their Corresponding AARDZ% Values for del
Valle as Aguilera Model

Compound k a b c R² AARDZ %

Clindamycin 2.1094008 -8.578367 -5266.33 2.525 0.97 7.78

Clarithromycin 1.1342992 -29.73268 10430 -2.0E 0.98 3.071

Clemastine
2.6244842 -55.60255 20700 -4.0E 0.85 2.10
fumarate

Erythromycin 2.9982695 -10.54821 -9106.41 9.49 0.96 7.18

Metronidazole
6.0386908 -22.47435 -1.0 5.867 0.96 21.31
benzoate
Global value 0.94 12.06
110 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Table 5. Model Parameters and Their Corresponding AARDZ% Values for

Improved del Valle and Aguilera Model

Compound κ c a b d AARDZ%

Clindamycin 2.189 1.835 2-23.520 -2.68 3.809 0.98 4.854

Clarithromycin 16.1628 1.6539 -33.219 1.034 -1.9 0.98 3.072

CClemastine
58.508 6.58502 -51.3245 9900.47 -2.3 0.93 15.40
Fumarate

Erythromycin 3.8879 4.14636 -15.103 -1.01 1.10 0.98 6.036

Metronidazole
6.6616 7.1198 -13.45 -1.88 2.02 0.97 16.61
Benzoate

Global value 0.96 9.19

Table 6. Calculated Heat of Reaction ,Sublimation Enthalpy and solvation Enthalpy (Estimated
using del Valle and Aguilera model and Chrastil model combination)

ΔHRXN = -bR ΔHSUB = R(b+(2(c)/T ΔHSOLVATION = (ΔHSUB - ΔHRXN)

Compound
R (kJ/mole) (kJ/mole) (kJ/mole)

Clindamycin 31.131 -30.983 -62.114

Clarithromycin 14.886 -14.928 -29.814

Clemastine fumrate 35.458 -172.7393 -208.197

erythromycin 27.853 -27.575 -55.429

Metronidazole Benzoate 55.501 -54.228 -109.729

Table 7. Calculated Heat of Reaction, Sublimation Enthalpy and Solvation Enthalpy (Estimated
using Improved del Valle and Aguilera model and Chrastil model combination)

ΔHRXN = -bR ΔHSUB = R(b-c(T)+(2(d)/T ΔHSOLVATION = (ΔHSUB - ΔHRXN)

Compound
(kJ/mole) (kJ/mole) (kJ/mole)

Clindamycin 31.131 -34.721 -65.853

Clarithromycin 14.886 -14.864 -29.749

Clemastine fumrate 35.458 -124.49 -159.947

erythromycin 27.853 -39.514 -67.367

Metronidazole Benzoate 55.501 -73.315 -128.815

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 111

CONCLUSION
In this work, a new equation for solubility correlation is proposed based on the concept of temperature
compensation for the vaporization enthalpy using a Improved del Valle and Aguilera Model with five
parameters. The proposed solubility model is compared with the existing Chrastil model, Bartle et al. model,
and the del Valle and Aguilera model by considering five drug compounds' solubility data in supercritical
carbon dioxide (SCCO₂).
The newly proposed model demonstrates a strong correlation ability compared to existing models, as
evidenced by its favorable Global AARDZ of 9.19 % and Global R² of 0.96. For the Improved del Valle and
Aguilera Model the calculated sublimation enthalpy values are observed .
Moreover, the Improved del Valle and Aguilera model was also employed to estimate the solvation
enthalpy of the selected antibiotics. The estimated solvation enthalpy provides valuable thermodynamic
insight into the solute–solvent interactions, further reinforcing the applicability of the model for solubility
prediction in SCCO₂ systems.
REFERENCES
1. Chrastil, J. (1982). Solubility of solids and liquids in supercritical gases. The Journal of Physical Chemis-
try,86(16),3016–3021. [Link]
2. Bartle, K. D., Clifford, A. A., Jafar, S. A., & Shilstone, G. F. (1991). Solubilities of solids and liquids of low volatility in su-
percritical carbon dioxide. The Journal of Physical Chemistry, 95(11),4091–[Link]://[Link]/10.1021/j100163a062
3. Numan, A. A.-L., Madfai, S. H. F. A. N., & Ghanim, A. N. (1988). An improved equation for predicting the solubility
of vegetable oils in supercritical CO₂. Industrial & Engineering Chemistry Research, 27(8), 1551–1553. [Link]
org/10.1021/ie00080a050
4. Asiabi, H., Yamini, Y., Latifeh, F., & Vatanara, A. (2015). Solubilities of four macrolide antibiotics in supercritical
carbon dioxide and their correlations using semi-empirical models. The Journal of Supercritical Fluids, 104, 62–69.
[Link]
5. Sodeifian, G., Garlapati, C., Razmimanesh, F., & Ghanaat-Ghamsari, M. (2021). Measurement and modeling of clemas-
tine fumarate (antihistamine drug) solubility in supercritical carbon dioxide. Scientific Reports, 11, 24344
6. Garmroodi, A., Hassan, J., & Yamini, Y. (2004). Solubilities of the drugs benzocaine, metronidazole benzoate, and
naproxen in supercritical carbon dioxide. Journal of Chemical and Engineering Data, 49(3), 709–712. [Link]
org/10.1021/je034179l
 22
Medicinal Leaves and its Health Benefits-
A Critical Review
Nivya Balasubramanian, R. Govindarasu
Department of Chemical Engineering, Sri Venkateswara College of Engineering, Sriperumbudur Tk, Tamil Nadu

ABSTRACT
Medicinal leaves have long played a pivotal role in traditional and modern healthcare systems, offering a natural
source of therapeutic compounds. This critical review explores the medicinal potential and health-promoting effects
of five widely used leaves: Papaya (Carica papaya), Eucalyptus (Eucalyptus globulus), Brahmi (Bacopa monnieri),
Betel (Piper betle), and Moringa (Moringa oleifera)—highlighting their traditional uses and scientific evidence
supporting their efficacy. Papaya leaves are extensively used in traditional medicine for their anti-inflammatory,
antimalarial, and platelet-boosting properties, particularly in the treatment of dengue fever. Eucalyptus leaves
are rich in essential oils, particularly eucalyptol, which are effective in treating respiratory conditions, acting as
decongestants and antibacterial agents. Its essential oils have found applications in aromatherapy and topical
treatments. Brahmi leaves (Bacopa monnieri), a staple in Ayurvedic medicine, are recognized for their nootropic
effects, enhancing memory, cognitive function, and reducing anxiety through antioxidant and neuroprotective
mechanisms. Betel leaves, commonly used in Southeast Asian culture, possess antimicrobial, antifungal, and
anti-diabetic properties, but their long-term use—especially with tobacco—warrants cautious consideration due
to potential carcinogenic risks. Moringa leaves (Moringa oleifera), often termed a "superfood," are a powerhouse
of vitamins, minerals, and bioactive compounds that exhibit anti-inflammatory, antidiabetic, and cardioprotective
effects. . Moringa has shown potential in addressing malnutrition and metabolic syndromes in various global health
contexts. This review critically evaluates the benefits and limitations of these medicinal leaves, emphasizing the need
for further clinical research to validate traditional claims, understand dosage safety, and isolate active compounds.
Keywords: Medicinal Leaves, Papaya, Eucalyptus, Brahmi, Betel, Moringa, Phytochemicals, Health Benefits,
Traditional Medicine
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 113

INTRODUCTION
Medicinal Leaves are a limitless supply of pharmaceuticals, chemical entities, traditional and modern
medical systems, and traditional treatments. Approximately 80% of the world's population relies only
on plants for their basic medical needs. It has been reported that over 45,000 plant species in India have
therapeutic qualities. Natural products or molecules derived from plants have demonstrated significant
advantages over synthetic medications, including low cost, easy availability, and little adverse effects.
The use of medicinal leaves to treat a variety of diseases has been the subject of numerous published
research.[1] Some of the medicinal leaves with major health benefits include Papaya Leaves, Brahmi
Leaves, Eucalyptus Leaves, Betel Leaves and Moringa Oleifera leaves. Papaya leaves have long been used
in traditional medicine due to their various medicinal properties. Papaya leaves contain Vitamins (A, C,
E), minerals (calcium, magnesium, sodium, and iron) enzymes (papain, chymopapain), and antioxidants.
Papaya leaves are sometimes used to treat skin conditions like acne and eczema due to their antimicrobial
and anti-inflammatory properties. Papaya leaves are particularly known for their ability to increase
platelet count, which is helpful in treating dengue fever. Eucalyptus leaves are renowned for their wide
array of medicinal benefits, making them a popular choice in traditional and modern remedies alike.
Eucalyptus is particularly valued for its anti-inflammatory, antibacterial, and antiviral effects, often
used to relieve respiratory ailments such as coughs, colds, and sinus congestion. Brahmi, scientifically
known as Bacopa monnieri, is a perennial herb commonly found in wetlands and known for its numerous
medicinal properties, especially in traditional Ayurvedic medicine. Revered for centuries, brahmi leaves
are characterized by their small, oval shape and succulent texture. They are celebrated for their cognitive-
enhancing abilities, often referred to as a "brain booster.“ Betel leaves, derived from the plant Piper betle,
hold a prominent place in traditional medicine across Asia, especially in Ayurvedic and Siddha practices.
These heart-shaped, glossy green leaves are not only culturally significant but also packed with an array
of health-enhancing properties. For centuries, betel leaves have been employed to promote oral hygiene,
support digestion, and alleviate respiratory issues. Moringa leaves, derived from the Moringa oleifera
tree, are widely regarded as one of the most nutrient-dense plants on earth. Often referred to as the
"drumstick tree," "miracle tree," or "horseradish tree," Moringa is native to the Indian subcontinent but is
now cultivated globally in tropical and subtropical regions. Moringa leaves are small, green, and oval-
shaped, growing in clusters on slender branches. They are known for their incredible nutritional profile,
including high levels of vitamins (A, C, and E), minerals (calcium, potassium, and iron), proteins, and
antioxidants.
PAPAYA LEAVES
The article reviews the potential of Carica papaya leaf extract as a high-value commodity in terms of
its health effects and industrial benefits, and highlights the traditional use of the extract to treat fevers
caused by viral infections like dengue, malaria, and chikungunya.[2] Papaya leaf extract contains various
phytochemicals like flavonoids, alkaloids, and cyanogenic glycosides, which have been found to have
antiviral, antimalarial, and anti-inflammatory properties.[3] Papaya leaf extract increases platelet count
in dengue fever patients, as well as it has antibacterial, gastro-protective, and anti-sickling properties.
[1] Another study investigates the antioxidant and cytotoxic activities of various extracts from papaya
leaves, traditionally used for treating diarrhea. This Study shows that nonpolar extracts exhibit the
most significant biological activity, suggesting their potential as traditional medicine and chemotherapy
agents. The main thesis is that these extracts can be utilized in traditional medicine and as adjuncts in
cancer treatment due to their biological properties. [4] Another study investigated the antidiabetic effects
of ethanolic extract of Carica papaya leaves in alloxan-induced diabetic rats, demonstrating significant
reductions in blood sugar levels and improvements in lipid profiles. Additionally, the extract improved
lipid profiles, evidenced by reduced total cholesterol, triglycerides, and low-density lipoprotein (LDL)
cholesterol, while increasing high-density lipoprotein (HDL) cholesterol.[5]
114 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

EUCALYPTUS LEAVES
Eucalyptus camaldulensis is a valuable medicinal plant with significant antimicrobial properties.
Eucalyptus camaldulensis, also known as the river red gum, is a tree belonging to the Myrtaceae family
that is widely distributed and cultivated worldwide.[6] The review article discusses the cytotoxic
properties of essential oils (EOs) from different Eucalyptus species, which have been reported to induce
cell death, inhibit cell proliferation, and cause apoptosis in various cancer cell lines. The EOs of Eucalyptus
sideroxylon, [Link], and E. globulus have shown significant cytotoxicity against MCF7 breast cancer
cells. Eucalyptus-derived EOs contain a wide variety of secondary metabolites, such as phenolics,
terpenoids (monoterpenes, sesquiterpenes, diterpenoids, and triterpenoids), which have demonstrated
anti-tumor and cytotoxic activities against different cancer cell lines.[7][8] Eucalyptus is a rich source of
phytochemicals with diverse health benefits, and its essential oil has various applications in the food,
pharmaceutical, and cosmetic industries[9] In anti-cancer tests, the extract significantly inhibited the
growth of various cancer cell lines, including pancreatic, colon, lung, and breast cancers. These findings
highlight Eucalyptus robusta extract as a promising candidate for further refinement and development as
a natural antioxidant and potential anti-cancer agent, especially for pancreatic cancer treatment.[10]
Brahmi Leaves:
Since ancient times, Brahmi, also known as Bacopa monnieri, has been used as a nootropic ayurvedic
plant to treat neurological conditions. Many strategies, including both synthetic and natural chemicals,
have been used to fight Alzheimer's disease. There have been numerous reports of neuroprotective herbs
in Ayurveda. Since ancient times, Brahmi, also known as Bacopa monnieri, has been used as a nootropic
in Ayurvedic medicine to treat neurological conditions.[11] The primary active compounds in Brahmi are
bacosides, particularly bacoside A, which have been extensively studied for their health benefits. Brahmi
is known to improve cognitive function, reduce anxiety and stress, and possess anti-inflammatory and
antioxidant properties. It has also been linked to improved respiratory health, enhanced immunity, and
potential benefits for skin care and blood sugar regulation. [12] In recent research, the development of
a health mix incorporating Brahmi leaves aims to address the high incidence of undernutrition among
children in India by enhancing their nutritional status and cognitive function.[13] Brahmi leaves are a
powerhouse of valuable alkaloids and triterpene saponins that can stimulate brain chemicals for sharper
thinking, memory, and learning. Herb contained alkaloids of brahmine and herpestine.[14] Brahmi leaves
are a powerhouse of valuable alkaloids and triterpene saponins that can stimulate brain chemicals for
sharper thinking, memory and learning. It has been observed that the extracts of brahmi plants can be a
helpful component in the creation of herbal beverages that contain the phenolics as well as Vitamin C as
antioxidant. Without the addition of chemicals like sweeteners, artificial flavours, or colours, they can be
utilized as a base to create beverages.[15]
Betel Leaves:
Betel leaf (Piper betel Linn.) is a perennial, evergreen creeper of the Piperaceae family, valued for its
glossy, heart-shaped leaves rich in phenolic compounds. Betel leaves contain bioactive compounds such
as: Chavibetol, Chavibetol acetate, Safrole, Eugenol, Caryophyllene, Hydroxychavicol. These constituents
contribute to various pharmacological properties like antioxidant, antibacterial, and anti-inflammatory
activities.[16] Red betel leaves contain phenolic chemicals called luteolin and apigenin. Apigenin and
luteolin derivatives are cytotoxic to cancerous cells. Methanolic red betel leaf extracts are utilized to assess
the cytotoxic and anti-migration effects on breast cancer that has spread. It is commonly recognized
that betel leaf extract can control blood glucose levels and has strong anti-diabetic effects.[17] Betel Leaf
essential oil can therefore be used for active food packing as well. In addition, the distinct spicy aroma
might improve the flavour of select specific foods.[18] Strong evidence supports betel leaves exceptional
chemotherapeutic and chemopreventive potential against a range of cancer forms. According to reports,
piper betel is a treasure trove of bioactive phenolics that have the ability to combat malignancies of the
skin, stomach, prostate, breast, and mouth.[19] According to Ayurveda, eating betel leaf right after a
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 115

meal is healthy since it aids in digestion, clears the mouth, gets rid of persistent coughing, and helps
people maintain their weight. Because of its diuretic properties, betel leaf juice is used to treat obstructed
urination. Cough and sore throat can be effectively treated at home using betel leaves. To ease coughing
and breathing difficulties, apply the mustard oil-soaked leaves to the chest. Betel leaves are useful in the
treatment of debility, nerve fatigue.[20]
Moringa Oleifera:
Moringa oleifera, often referred to as the "Miracle Tree," is renowned for its wide range of medicinal
benefits, including anti-inflammatory properties due to its rich composition of vitamins and antioxidants.
Indomethacin, a non-steroidal anti-inflammatory drug (NSAID), is commonly utilized for pain
relief in chronic inflammatory disorders, but its administration is frequently associated with adverse
gastrointestinal effects, including the formation of gastric ulcers. The use of herbal supplements, such as
Moringa oleifera, has been explored as a promising alternative or adjunctive therapy due to fewer side
effects compared to conventional ulcer treatments like proton pump inhibitors and antacids.[21] Moringa
oleifera leaf extract, showed significant efficacy in reducing skin erythema without causing irritation. The
M. oleifera leaf extract cream was not irritant according to 48 h semi-occluded patch test. There was a
significant decrease in skin erythema.[22] Moringa oleifera leaf extracts demonstrate significant potential
in alleviating depression among rheumatoid arthritis patients, as evidenced by improvements in Beck
Depression Inventory scores and serum cortisol levels. Moringa oleifera is a complementary therapy
to enhance mental health outcomes in chronic disease management.[23] Moringa oleifera leaf extract
(MoLE) demonstrates significant hepatoprotective effects against high-fat diet-induced liver injury in
mice, primarily through its antioxidant properties. MoLE treatment significantly protects against liver
damage, as evidenced by improved liver histology and reduced serum levels of liver enzymes such as
AST, ALT, and ALP. The extract also enhances antioxidant status, indicated by increased ferric reducing
antioxidant power (FRAP) and reduced glutathione (GSH) levels, while decreasing lipid peroxidation.
[24] The Moringa oleifera is a multi-purpose herbal plant that has been used for medicinal purposes
worldwide.[25]
CONCLUSION
Papaya, Betel, Moringa, Brahmi, and Eucalyptus leaves each offer a unique array of health benefits,
making them powerful components of natural and traditional medicine. Papaya leaves are rich in
enzymes like papain and chymopapain that aid digestion and have been widely studied for their ability
to boost platelet count, especially in dengue treatment. Betel leaves, traditionally used in various Asian
cultures, exhibit strong antimicrobial, antioxidant, and anti-inflammatory properties, and may support
oral health, digestion, and respiratory wellness. Moringa leaves, often referred to as a superfood, are
densely packed with essential nutrients, including vitamins A, C, and E, iron, calcium, and amino acids,
offering benefits such as improved immunity, anti-diabetic effects, and reduced inflammation. Brahmi
leaves, a staple in Ayurvedic medicine, are known for enhancing cognitive functions, reducing anxiety
and stress, and supporting mental clarity and memory through active compounds like bacosides. Lastly,
Eucalyptus leaves possess potent antiseptic and anti-inflammatory qualities, with their essential oil being
particularly effective for respiratory ailments, pain relief, and improving immune response. Together,
these leaves represent a potent synergy of nature’s healing arsenal, promoting holistic well-being across
multiple bodily systems when used responsibly and in moderation.
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6. V. Aleksic Sabo and P. Knezevic, “Antimicrobial activity of Eucalyptus camaldulensis Dehn. plant extracts and essen-
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 23
Comprehensive Review on Exploring the
Medicinal Potential of Fruits
K. Sugan, R. Govindarasu
Department of Chemical Engineering, Sri Venkateswara College of Engineering, Sriperumbudur Tk, Tamil Nadu

ABSTRACT
Fruits are not only essential components of a balanced diet but also serve as potent natural sources of therapeutic
agents. This review highlights the medicinal benefits of five nutritionally rich fruits: pomegranate (Punica
granatum), amla (Phyllanthus emblica), orange (Citrus sinensis), Indian blackberry (Syzygium cumini), and dates
(Phoenix dactylifera). Each of these fruits is abundant in bioactive compounds that contribute to various health-
promoting effects. Pomegranate is renowned for its antioxidant, anti-inflammatory, and anticancer properties,
largely attributed to polyphenols such as punicalagins and ellagic acid. Regular consumption has shown to reduce
the risk of cardiovascular diseases and improve memory and cognition. Amla, also known as Indian gooseberry, is a
rich source of vitamin C and tannins. It exhibits strong antioxidant, anti-aging, and immune-boosting effects, and
is used in traditional medicine for managing diabetes, hyperlipidemia, and digestive disorders. Oranges are excellent
sources of vitamin C, flavonoids, and dietary fiber. They support immune function, improve skin health, and help in
the prevention of chronic diseases such as hypertension and cardiovascular disorders. Indian blackberry or jamun
contains anthocyanins, flavonoids, and ellagic acid, offering antidiabetic, hepatoprotective, and gastroprotective
benefits. It is especially valued in traditional medicine for its role in blood sugar regulation. Dates, rich in natural
sugars, fiber, and essential minerals such as potassium and magnesium, are recognized for their energy-boosting,
anti-inflammatory, and neuroprotective properties. They support digestive health and have been associated with
reduced risk of chronic conditions like anemia and constipation. Collectively, these fruits offer a wide range of
medicinal benefits due to their high nutritional density and presence of phytochemicals. Integrating them into daily
diets not only promotes general well-being but also contributes to the prevention and management of various health
disorders, making them vital components of functional nutrition and natural medicine.
Keyword: Pomegranate, Amla, Orange, Indian Blackberry, Dates, Bioactive Compounds
118 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

INTRODUCTION
Fruits are celebrated not only for their nutritional value but also for their therapeutic potential in
promoting health and preventing disease. This paper highlights five fruits—pomegranate, amla, orange,
Indian blackberry, and dates—that are especially noted for their medicinal properties due to their rich
content of vitamins, minerals, antioxidants, and phytochemicals. Pomegranate (Punica granatum) is
rich in polyphenols and known for its strong antioxidant and anti-inflammatory effects, contributing
to cardiovascular health, cancer prevention, and cognitive function. Amla (Phyllanthus emblica), one
of the richest sources of vitamin C, is widely used in Ayurveda for its immune-boosting, anti-aging,
and antidiabetic benefits. Orange (Citrus sinensis) is a popular fruit high in vitamin C and flavonoids,
supporting immunity, skin health, and cardiovascular function through its antioxidant actions. Indian
blackberry (Syzygium cumini), or jamun, contains compounds like anthocyanins and ellagic acid, which
are effective in diabetes management and improving liver and digestive health. Dates (Phoenix dactylifera)
are valued for their natural sugars, fiber, and minerals, offering quick energy and promoting digestive
and neuroprotective health. These fruits embody the concept of “food as medicine,” Promoting their
regular consumption can enhance public health and support plant-based medicinal approaches.
1. Pomegranate
Pomegranate (Punica granatum L.), an ancient fruit tree native to the Mediterranean region, has been
celebrated for its unique nutritional and medicinal properties for centuries. The anti-cancer properties
of pomegranate, which are attributed to its high phenolic content and remarkable antioxidant activity.
Ellagic acid is particularly noted for its effectiveness in combating oxidative stress, thereby reducing
the risk of cancer and other chronic diseases. The fruit also contains essential minerals and vitamins,
contributing to overall health. Pomegranate has the role in treating conditions such as inflammation,
rheumatism, and digestive issues, showcasing its versatility as a natural remedy. [1] Pomegranates may
play a significant role in preventing and treating serious health conditions such as cancer, cardiovascular
diseases, and diabetes. The fruit’s high antioxidant content and anti-inflammatory properties contribute
to its effectiveness in promoting health and mitigating disease. pomegranate juice can significantly reduce
risk factors for heart disease, including lowering LDL cholesterol levels and improving blood flow. The
juice has also demonstrated the ability to inhibit the proliferation of cancer cells, particularly in prostate
cancer, by disrupting their attraction to signals that promote metastasis. It can improve blood glucose
levels and lipid profiles. Its parts, including the rind and seeds, are utilized in various forms to address
digestive disorders, respiratory issues, and even skin ailments. The astringent properties of pomegranate
are traditionally employed to treat conditions like diarrhea and dysentery, showcasing its versatility as
a medicinal fruit [2]. Pomegranate juice (PJ) is a healthy drink, focusing on its high polyphenol content
and health benefits. PJ’s potential health benefits are reducing inflammation, fighting germs, helping with
cancer, and improving metabolism, which can assist in managing obesity, diabetes, and heart health. PJ
works in the body, especially through its metabolites like urolithins that come from ellagitannins [3].
2. Amla
Amla has been shown to have antioxidant, anti-inflammatory, antimutagenic, and immune modulatory
properties. It has demonstrated beneficial effects in preventing and reducing age-related changes, such as
oxidative stress and cellular damage. Amla extracts have shown potential in inhibiting the growth of cancer
cells and promoting apoptosis. It has been found to have protective effects on the cardiovascular system and
can reduce oxidative stress in the kidneys. Amla extracts have also shown potential in delaying the onset
of diabetic cataracts and promoting skin health [4]. Amla has the use in various ayurvedic formulations
and traditional remedies. Outcomes include the treatment of various ailments and diseases such as cough,
cold, fever, stomachache, dyspepsia, diarrhea, diabetes, peptic ulcers, acidity, jaundice, inflammation,
and others. The fruit of Phyllanthus emblica is considered a powerful Rasayana in Ayurveda and is used
to treat various diseases. The plant’s chemical constituents are associated with diverse pharmacological
properties such as antioxidant, anti-inflammatory, antidiabetic, hepatoprotective, antimicrobial, neuro
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 119

protective, immune -modulatory, and antitussive properties. The traditional uses of the plant include
treating liver disorders, diabetes, respiratory disorders, skin disorders, and hair greying [5]. Emblica
officinalis (EO) is an important herb in the Indian traditional medicine system, especially Ayurveda. EO
is known for its medicinal properties and is considered one of the most useful drug treatments in the
Indian pharmacopoeia. The fruit of EO is rich in quercetin, phyllemblic compounds, gallic acid, tannins,
flavonoids, pectin, and vitamin C. EO has many uses, including antioxidant, anticarcinogenic, antitumor,
anti-inflammatory, and many other traditional uses. EO is widely used in the Ayurvedic medicines and is
believed to increase defense or immune power against diseases [6].
3. Orange
Citrus sinensis wastes are rich in bioactive compounds, such as polyphenols, flavonoids, and essential
oils. Various extraction techniques can be used to obtain these bioactive compounds from the waste
materials. The bioactive compounds in Citrus sinensis wastes have significant health benefits, including
anti-microbial, anti-inflammatory, anti-cancer, and neuroprotective effects. The utilization of Citrus
sinensis wastes in various industries can contribute to the economic value of these by-products. The
bioactive compounds in Citrus sinensis wastes have significant health benefits, including anti-microbial,
anti-inflammatory, anti-cancer, and neuroprotective effects [7]. Citrus waste contains a range of highly
beneficial bioactive compounds with antimicrobial and antioxidant properties. Different extraction
methods yield varying amounts of bioactive compounds. Modern extraction techniques offer higher
yields and lower solvent and energy consumption. The separation and isolation of individual bioactive
compounds can be achieved through various purification methods. The utilization of citrus waste in the
food and pharmaceutical industries can lead to the production of valuable co-products [8]. Orange peels
and pomace are a sustainable raw material that can be used to make valuable products for nutraceuticals.
Pectin, phenolics, and limonene found in orange peels and pomace have been linked to various health
benefits. Green extraction methods, such as MAE, UAE, ScCO2 extraction, and SWE, can be used to
valorize orange peels and pomace and obtain high quantities and qualities of extracts [9].
4. Indian Blackberry
Jamun fruit (Syzygium cumini L.) is an underutilized fruit crop of India with impressive nutritional profile
and several health benefits. The fruit is known for its attractive color, astringent taste, and nutraceutical
properties. It is used for the treatment of diabetes and possesses anti-cancer, anti-inflammatory, anti-
obesity, and cardio-protection properties. Investigations were done on the production of value-added food
products such as ready-to-serve beverages, jam, cookies, and cake from jamun due to their several health
benefits [10]. Java plum extract contains a variety of anthocyanins, including glucosides of delphinidin,
cyanidin, petunidin, peonidin, and malvidin JPE suppressed proliferation in HCT-116 cells and induced
apoptosis in both HCT-116 cells and colon cancer stem cells JPE also suppressed the self-renewal ability of
colon cancer stem cells. JPE exhibits anti-cancer activity against colon cancer cells and colon cancer stem
cells [11]. Jamun is considered a traditional medicine for controlling diabetes, with a specific action on the
pancreas. The fruit, seeds, and juice of jamun play important roles in the treatment of diabetes. Jamun
seeds contain Jamboline, a type of glucose that helps regulate sugar levels. Jamun has anti-cancer and
anti-viral properties. The bark of the black berry tree has astringent, digestive, and diuretic properties.
The fruit is also considered stomachic, carminative, antiscorbutic, and diuretic [12].
5. Dates
Date palm has been traditionally used for various purposes, including as a general tonic, for the treatment
of liver diseases, memory disturbances, fever, inflammation, paralysis, and nervous disorders. Date palm
is a complete diet with high nutritional value and contains a wide range of secondary metabolites. Date
palm possesses various pharmacological effects, including anticancer, antidiabetic, anti-inflammatory,
antimicrobial, antioxidant, cardiovascular, gastrointestinal, and wound healing effects [13]. Date paste,
made from grinding pitted dates, is rich in sugars, dietary fiber, and natural antioxidants, making it a
valuable natural alternative to refined sugar. Date paste enhances the flavor, texture, and overall sensory
120 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

properties of food products. Date paste offers numerous health benefits, including protection against
diseases, regulation of blood sugar, and support for heart health [14]. Date seeds contain a significant
amount of oil (5-13%). The main fatty acids in date seed oil are oleic acid and lauric acid Date seed oil
contains valuable phytochemicals such as tocols, phytosterols, and phenolic compounds Different
extraction techniques can be used to obtain date seed oil, including conventional Soxhlet extraction,
supercritical fluid extraction (SFE), and ultrasound-assisted extraction (UAE). Date seed oil has various
applications in the food, cosmetic, and pharmaceutical industries [15].
6. RESULT AND DISCUSSION
The analyzed fruits demonstrate strong medicinal properties which stem from their biochemical
components. Pomegranate alongside amla possess antioxidants and anti-inflammatory components
which work to improve heart health and system metabolism according to research [1][3][4][5]. The
compounds obtained from orange peel show both antimicrobial properties and provide protection to the
nervous system [7][9]. The compounds anthocyanins and jamboline present in Indian blackberry show
anticancer and antidiabetic properties. Dates promote digestive health together with neuroprotective
benefits because they contain essential oils along with phenolics and fiber substances [13][15]. These fruits
prove that food acts as medicine which strengthens their value for dietary use as preventive measures
against diseases and promotors of health.
CONCLUSION
Fruits are rich in vitamins, minerals, antioxidants, and bioactive compounds, they support overall health.
Pomegranate and amla have potent antioxidant and anti-inflammatory effects that boost cardiovascular
and immune function. Orange enhances immunity and skin health due to its high vitamin C content.
Indian blackberry aids in diabetes management and liver health, while dates provide natural energy,
support digestion, and protect the nervous system. Regular consumption of these fruits can help prevent
chronic conditions like diabetes and hypertension. Ongoing research continues to validate their therapeutic
potential.
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13. Al-Snafi, A. E., & Thuwaini, M. M. (2023). Phoenix dactylifera: Traditional uses, chemical constituents, nutritional benefit
and therapeutic effects. Tradit Med Res, 8(4), 20.
14. A Almuzaini, H., H Faqih, E., A Alhumaid, N., A Shabib, Z., A Abd El-Hady, E. S., & E Gadallah, M. G. (2024). Advantag-
es of Khalas Date Products (Phoenix dactylifera L.) as a Natural Substitute for Sugar and Sweeteners in Food Processing.
Alexandria Science Exchange Journal, 45(4), 661-674.
15. Mrabet, A., Jiménez-Araujo, A., Guillén-Bejarano, R., Rodríguez-Arcos, R., & Sindic, M. (2020). Date seeds: A promising
source of oil with functional properties. Foods, 9(6), 787.
 24
Biosynthesis of Zinc Oxide and Silver Nanoparticles
from Cassia Alata: A Comparative Study on
Antimicrobial and Structural Properties
A.G. Gokulalakshmi, S. Sujatha
Department of Chemical Engineering, St. Joseph’s College of Engineering, OMR,
Chennai, Tamil Nadu

ABSTRACT
The growing demand for sustainable and eco-friendly nanomaterials has led to increased interest in plant-mediated
synthesis of nanoparticles. This study explores the biosynthesis of silver (AgNPs) and zinc oxide nanoparticles
(ZnONPs) using Cassia alata, a medicinal plant rich in flavonoids, tannins, and phenolics that act as natural
reducing and stabilizing agents. Aqueous leaf extracts were used to synthesize AgNPs and ZnONPs under controlled
conditions, with successful formation confirmed through visual observation and UV-Vis spectroscopy. Structural
and morphological characterization was performed using FTIR, XRD, SEM, and TEM, revealing well-defined
nanoparticles with spherical and rod-like shapes. Antimicrobial studies against Escherichia coli, Staphylococcus
aureus, and Pseudomonas aeruginosa demonstrated effective inhibition, with AgNPs exhibiting higher potency, while
ZnONPs displayed greater stability and biocompatibility. ROS generation and minimum inhibitory concentration
(MIC) tests further validated the antimicrobial mechanism. Despite AgNPs’ superior activity, ZnONPs are favored
in biomedical and environmental applications due to lower cytotoxicity. The study underscores the versatility of
Cassia alata in nanoparticle synthesis and provides a comparative perspective on two widely used nanomaterials. It
also highlights the importance of standardization and further in vivo studies for future clinical translation.
Keywords: Cassia Alata, Green Synthesis, Silver Nanoparticles (AgNPs), Zinc Oxide Nanoparticles
(ZnONPs), Antimicrobial Activity, Phytochemicals, Biosynthesis, Biocompatibility, Nanotechnology, Structural
Characterization

1. INTRODUCTION
Nanotechnology serves as a emerging field across various sectors which includes medicine, agriculture,
energy, and environmental science. Their ability to modify and manipulate the properties of matter at
the nanoscale has eventually resulted in the innovation of many nanomaterials which has an enhanced
physical, chemical, and biological properties. Apart from all the other different types of nanomaterials so
far discovered, metal based nanomaterials like silver nanoparticles (AgNPs) and zinc oxide nanoparticles
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 123

(ZnONPs), are considered to be the most important nanoparticles because of their extraordinary
antimicrobial, optical, and catalytic activities. The conventional way of producing and preparing these
nanomaterials require the involvement of lots of toxic chemicals, high energy inputs, and environmentally
harmful by-products. Due to the raising limitations because of their hazardous effects greener alternatives
are emerging which helps in aligning the principles of sustainability, eco-friendly and environmental
safety. As a result plant extracts are being used as an eco friendly alternative in the green synthesis
production of nanoparticles which serves as a cost-effective, and scalable approach. To reduce the
metal ions and stabilize nanoparticles, phytochemicals present in the plants where used like flavonoids,
alkaloids, terpenoids, and phenolics. Cassia alata is one such plant which is also known as candle brush
is widely grown in tropical [Link] plant is commonly known for its superior medical properties like
antimicrobial, antifungal, and antioxidant effects. As this plant is rich in bioactive compounds it is used in
the biosynthesis of nanoparticles. Apart from producing nanoparticles, this plant helps in improving the
stability and biological activity as they are natural reducing and capping agents.
This review aoms in exploring the biological synthesis of silver nanoparticles and zinc oxide nanoparticles
using Cassia alata, by emphasising and making a comparative study of their structural characteristics,
antimicrobial activities, and potential applications. This paper provides a consolidated comprehensive
study based on the efficacy and versatility of Cassia alata-mediated nanoparticles, also analysing their
future applications in the field of research and in sustainable nanotechnology.
2. MEDICINAL AND PHYTOCHEMICAL PROPERTIES OF CASSIA ALATA
Cassia alata is one of the commonly known tropical medicinal shrub, also called as candle bush or ringworm
plant which is known to be widely recognized as it has superior therapeutic potential and also highly rich
phytochemical properties. This plant is mostly preferred in Ayurvedic and folk medicinal chemistry. This
plant is highly effective in treating different types of diseases and infections, for instance, skin infections,
fungal diseases, constipation, and inflammatory conditions. Cassia alata stems has high medicinal value
due to the presence of large and diverse variety of bioactive phytochemicals which are naturally present
in them. The commonly known different classes kf various phytochemicals include flavonoids, tannins,
saponins, alkaloids, anthraquinones, and terpenoids. The above mentioned compounds have high levels
of antioxidant, antimicrobial, anti-inflammatory, and wound-healing properties, which makes them
a well known, significant source of natural therapeutics in curing various diseases. In the synthesis of
nanoparticles, these phytochemicals play a very crucial role as both reducing and stabilizing agents. For
example, flavonoids and tannins reduces them back to their nanoscale metallic or oxide forms as these
phytochemicals are capable of donating electrons to metal ions (such as Ag+ and Zn²+) . Also at the same
time these compounds act as capping agents, which helps in binding to the nanoparticle surface and
eventually helps in preventing agglomeration. Apart helping in stabilizing the nanoparticles into solution,
they also plays a major role in enhancing the biocompatibility and biological activity of the nanomaterial.
Strong interactions with metal precursors, superioe facilitation for rapid and efficient nanoparticle
formation because of the presence of phenolic hydroxyl groups and carboxyl functional groups. Also
the process is carried out within mild conditions, that is, in the absence of external chemicals or high
temperatures. Cassia alata has been widely used for various therapeutical and amedicinal purposes,
which includes, treating ringworm, eczema, scabies, skin ulcers, and even diabetes under medicinal system
which was being used traditionally. Cassia alata acts as a very important and significant candidate which
has been used in the green synthesis of functional nanoparticles with potential biomedical applications
because of the convergence of its antimicrobial action and rich phytochemical positions. Therefore, this
plant is used as a sustainable approach in nanotechnology and serves as a major souce for developing
advanced materials with natural origins and highly enhanced therapeutic properties.
124 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

3. SYNTHESIS OF SILVER NANOPARTICLES (AGNPS) USING CASSIA ALATA

The green synthesis of silver nanoparticles (AgNPs) using Cassia alata is considered to be a very
simple, sustainable and eco-friendly process which makes use of the phytochemicals which are present
in the plant naturally for reducing the silver ions present in the sample and stabilizing the resulting
nanoparticles. The process of synthesising silver nanoparticles involves mixing of aqueous leaf extract of
Cassia alata with a silver nitrate (AgNO₃) solution under suitable ambient or slightly elevated conditions.
The phytochemicals like flavonoids, phenolics, and tannins which are present in the extract carry out the
reaction mechanism primarily. These compounds donate electrons to Ag⁺ ions, and eventually reduces
them to Ag⁰ atoms. In the same time, the same phytochemicals which are used previously act as capping
agents, and helps in preventing any further aggregation and helps in stabilizing the nanoparticles more
effectively. The full extraction process is carried out spontaneously and the process does not make use
of any harsh reducing agents, and makes the process more sustainable and environmentally benign. the
color change from pale yellow to dark brown in the reaction serves as the first known observable signs
of AgNP formation in the mixture. This color shift from pale yellow to brown is mainly caused due to
the excitation of surface plasmon resonance (SPR) in the silver nanoparticles. UV-Vis spectroscopy is
helpful in monitoring the synthesis of nanoparticles, where we can confirm the presence of AgNPs with a
characteristic SPR peak which has been observed between 420–450 nm in the colloidal [Link] of the
Literature studies say that Cassia alata-mediated silver nanoparticles are usually in the shape of spherical
or quasi-spherical ,that is of sizes commonly ranging from 10–50 nm, depending on synthesis conditions
like pH, temperature, and AgNO₃ concentration. SEM and TEM analyses are highly helpful in revealing
well-dispersed nanoparticles which consist of minimal agglomeration. Due to their effective capping by
using the bioorganic molecules present in the extract helps to enhance the stability of these biosynthesized
nanoparticles. The cost-effective and green extraction process helps in resulting the nanoparticles with
controlled morphology, good dispersion, and potent antimicrobial properties which is suitable in various
applications, mainly production of biomedical.
4. SYNTHESIS OF ZINC OXIDE NANOPARTICLES (ZNONPS) USING CASSIA ALATA:
The biosynthesis of zinc oxide nanoparticles (ZnONPs) with Cassia alata is an effective and ecologically
friendly method that uses the plant's abundant phytochemical ingredients to drive nanoparticle creation.
In a typical synthesis, Cassia alata leaf extract is added to an aqueous solution of zinc acetate dihydrate,
and the pH is adjusted—usually to 9-11—with sodium hydroxide (NaOH). The reaction mixture is stirred
and gently heated, resulting in the development of a white precipitate, which is indicative of ZnONP
formation. The synthesis route includes phytochemical-assisted hydrolysis and zinc-ion condensation.
Plant extracts include phenolic groups and flavonoids that diminish Zn²⁺ ions and stabilize them.
Following the reaction, the precipitate is recovered by centrifugation, washed with ethanol and water,
and often calcined at high temperatures (usually 400-500°C) to increase crystallinity and eliminate organic
residue. ZnONPs produced from Cassia alata usually have a hexagonal wurtzite crystal structure, as
proven by X-ray diffraction (XRD) studies. The nanoparticles are generally rod-like or spherical in shape,
with an average size ranging from 20 to 80 nm, depending on the synthesis circumstances. Scanning
electron microscopy (SEM) and transmission electron microscopy (TEM) yield extensive information
on surface roughness and particle shape. ZnONPs have several remarkable benefits, including excellent
stability and environmental safety. Unlike silver, zinc is an important element with far reduced toxicity
concerns at moderate quantities. The phytochemical covering of Cassia alata improves biocompatibility
and dispersibility in aqueous environment.
5. CHARACTERIZATION TECHNIQUES
5.1. UV/Visible Spectroscopy
UV-Vis spectroscopy is the major tool for monitoring nanoparticle production in real time. Metallic
nanoparticles have a distinctive absorbance peak due to the surface plasmon resonance (SPR) phenomenon.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 125

In the case of silver nanoparticles, the SPR peak generally arises between 420 and 450 nm, corresponding
to the collective oscillation of conduction electrons in AgNPs when activated by light. A prominent
absorption peak is seen for zinc oxide nanoparticles in the 370-390 nm region, demonstrating band-
gap energy changes typical of ZnO semiconductors. The existence and strength of these peaks confirm
nanoparticle production and give an estimate of size and concentration.
5.2. Fourier transform infrared spectroscopy (FTIR)
FTIR spectroscopy is used to detect the functional groups on the nanoparticle surface and validate the
presence of phytochemicals from Cassia alata in the synthesis process. FTIR spectra generally include
peaks for hydroxyl (O-H), carbonyl (C=O), amine (N-H), and aromatic (C=C) groups. These functional
groups are derived from flavonoids, phenolics, and proteins found in plant extracts and serve two
functions: first, to reduce metal ions, and second, to stabilize nanoparticles by surface capping. FTIR
therefore gives compelling support for the plant-mediated synthesis pathway.
5.3. X-ray diffraction (XRD)
XRD analysis is essential for identifying the crystalline structure of produced nanoparticles. The diffraction
peaks of AgNPs show a face-centered cubic (FCC) structure, with strong reflections at 2θ values of 38.1°,
44.3°, 64.5°, and 77.4°, reflecting the (111), (200), (220), and (311) planes, respectively. ZnONPs derived
from Cassia alata generally have a hexagonal wurtzite crystal structure, with diffraction peaks at 31.7°,
34.4°, 36.2°, 47.5°, and 56.6°, which correspond to the (100), (002), (101), (102), and (110) planes. The
Debye-Scherrer equation is used to calculate average crystallite sizes, which are typically between 20 and
40 nm for both nanoparticles.
5.4. Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM)
SEM and TEM are key instruments for researching nanoparticle shape and surface topology. SEM
pictures give a thorough perspective of particle form, size, and aggregation behavior. In most studies,
AgNPs seem spherical, evenly distributed, and largely monodispersed, but ZnONPs frequently have rod-
like or hexagonal shapes, depending on the synthesis circumstances. TEM provides considerably better
resolution imaging and enables for precise determination of individual particle sizes. The particle size
distribution found by TEM is often consistent with XRD estimations, ranging from 10-50 nm for AgNPs to
20-70 nm for ZnONPs. TEM also confirms the existence of organic phytochemical coatings on nanoparticle
surfaces, indicating effective stabilization.
5.5. Summary of Characterisation Outcomes
UV-Vis validated nanoparticle production by identifying typical SPR/band-gap peaks.
FTIR confirmed the function of Cassia alata phytochemicals in reduction and capping.
XRD identified crystalline structures (FCC for AgNPs and wurtzite for ZnONPs).
SEM/TEM supplied information on particle shape, size, and dispersion quality.
Together, these strategies demonstrate the effective biosynthesis of stable, well-characterized nanoparticles
with potential biological and environmental implications.
6. BIOCOMPATIBILITY, TOXICITY, AND ANTIMICROBIAL ACTIVITY
Zinc oxide nanoparticles (ZnONPs) and silver nanoparticles (AgNPs) biosynthesised using Cassia alata
have shown encouraging antibacterial qualities against a variety of harmful microorganisms. When
choosing appropriate candidates for certain medicinal and industrial applications, comparative studies
show how these two nanoparticles perform differently in terms of antibacterial efficacy, toxicity, and
environmental safety.
126 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

[Link] Comparison and Target Organisms

Strong antibacterial action against both Gram-positive and Gram-negative bacteria, including Escherichia
coli, Pseudomonas aeruginosa, and Staphylococcus aureus, has been demonstrated by several
investigations for both AgNPs and [Link] general, AgNPs have somewhat better antibacterial
activity than ZnONPs. Their greater affinity for bacterial cell membranes, higher surface-to-volume ratio,
and smaller particle size are the reasons for this. AgNPs usually create wider zones of inhibition (15–22
mm) in agar well diffusion experiments, whereas ZnONPs, at similar doses (25–100 µg/mL), show zones
ranging from 12–18 mm. AgNP and ZnONP antibacterial activity mechanisms are complex and include
both physical and biochemical interactions. AgNPs cause structural damage by adhering to bacterial
cell walls and penetrating the cytoplasm. Oxidative stress, DNA fragmentation, protein denaturation,
and cell death are caused by the reactive oxygen species (ROS) they produce, which include superoxide
and hydroxyl radicals. Furthermore, the discharge of Ag⁺ ions disrupts enzyme function and cellular
[Link] generating ROS in response to UV or visible light, which results in lipid peroxidation and
cellular damage, ZnONPs also have antibacterial properties. Additionally, although their release is often
slower and less forceful than that of silver ions, Zn2+ ions have the ability to interfere with membrane
potential and enzyme function. Their interaction with bacterial membranes is also influenced by the form
and surface roughness of ZnONPs (e.g., spherical vs. rod-like).
6.2. Generation of MIC and ROS
Antimicrobial potency may be quantitatively understood using Minimum Inhibitory Concentration (MIC)
values. For the same bacterial strains, ZnONPs normally range from 20 to 50 µg/mL, whereas AgNPs
manufactured using Cassia alata have demonstrated MIC values as low as 8–16 µg/mL. Additionally,
research demonstrates that both kinds of nanoparticles cause the production of ROS, which is essential for
upsetting microbial metabolism.
Higher ROS levels in bacterial cultures treated with AgNPs as opposed to ZnONPs have been shown
using fluorescent ROS detection tests, supporting the variations in antibacterial potency.
6.3. Comparative Hemocompatibility and Cytotoxicity
Despite having strong antibacterial properties, AgNPs' cytotoxicity to mammalian cells may restrict their
use in biocompatible systems. AgNPs' dose-dependent toxicity in fibroblast and epithelial cell lines has
been documented in a number of in vitro investigations, particularly at doses greater than 50 µg/mL.
Conversely, ZnONPs have demonstrated reduced cytotoxicity, preserving cell viability over 80% even
at increased dosages. Additionally, compared to AgNPs, ZnONPs cause less membrane rupture and are
more compatible with red blood cells, according to hemolysis studies.
7. CONCLUSION
In the realm of green nanotechnology, the biosynthesis of AgNPs and ZnONPs utilizing Cassia alata is a
noteworthy breakthrough. The results of several investigations have been combined in this study to show
that both nanoparticles have strong antibacterial action, distinct crystalline structures, and appealing
visual characteristics. Because silver nanoparticles may produce reactive oxygen species and release
Ag⁺ ions, they exhibit somewhat greater antibacterial effectiveness. They are less ecologically friendly
and more cytotoxic, though. However, zinc oxide nanoparticles have similar antibacterial qualities
plus improved stability, reduced environmental toxicity, and increased biocompatibility. The proposed
application should serve as a guidance for choosing between AgNPs and ZnONPs. For instance, because
of their safety profile, ZnONPs are better suited for long-term biomedical applications like medication
administration, cosmetics, and food packaging, whereas AgNPs are best for high-potency, short-term
applications like antimicrobial coatings. In conclusion, the production of functional nanomaterials by
Cassia alata-mediated synthesis provides a sustainable platform. Future biomedical and environmental
technologies may use these green nanoparticles as standard parts if they are more standardized, their
mechanisms better understood, and they are clinically validated.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 127

8 REFERENCES
1. Vijayakumari, A., & Sinthiya, A. (2018). Biosynthesis of phytochemicals coated silver nanoparticles using aqueous
extract of leaves of Cassia alata: Characterization, antibacterial and antioxidant activities. International Journal of
Pharmaceutical and Clinical Research, 10(5), 138–149.
2. Sivasubramanian, K., Elayaperumal, K., Prakash, P., & Chellappan, D. R. (2023). Antioxidant, antibacterial, and cyto-
toxicity potential of synthesized silver nanoparticles from the Cassia alata leaf aqueous extract. Green Processing and
Synthesis, 12(1).
3. Situmorang, V. C., Perangin-angin, R. S., Sembiring, S., & Nasution, A. M. T. (2024). Microwave-assisted green synthe-
sis of Cassia alata-mediated gold nanoparticles and evaluation of its antioxidant, anti-inflammatory, and antibacterial
activities. Biomass Conversion and Biorefinery. [Link]
4. Iravani, S. (2011). Green synthesis of metal nanoparticles using plants. Green Chemistry, 13(10), 2638–2650. https://
[Link]/10.1039/C1GC15386B
5. Ahmed, S., Saifullah, Ahmad, M., Swami, B. L., & Ikram, S. (2016). Green synthesis of silver nanoparticles using
Azadirachta indica aqueous leaf extract. Journal of Radiation Research and Applied Sciences, 9(1), 1–7. [Link]
org/10.1016/[Link].2015.06.006
6. Ba, B. H., Prins, C., & Prodhon, C. (2016). Models for optimization and performance evaluation of biomass supply
chains: An Operations Research perspective. Renewable Energy, 87, 977–989.
7. Petkovic, D., Petkovi, B., & Kuzman, B. (2023). Appraisal of information system for evaluation of kinetic parameters
of biomass oxidation. Biomass Conversion and Biorefinery, 13(2), 777–785.
8. ResearchGate. (2018). Biosynthesis of phytochemicals coated silver nanoparticles using aqueous extract of leaves of
Cassia alata. Retrieved from: [Link]
9. ScienceDirect. (2018). Biosynthesis, Characterization, and Antimicrobial Activity of AgNPs. Retrieved from:
[Link]
10. De Gruyter. (2023). Green Processing and Synthesis. [Link]
0018/html
 25
Design and Simulation of an Integrated Hybrid
Cooling and Fire Suppression System for
Battery Packs in Electric Vehicles
Prathipa C, Johin Gill G, Paul Durai K
Department of Automobile Engineering, Sri Venkateswara College of Engineering, Sriperumbudur, Tamil Nadu

ABSTRACT
This work presents a customized Battery Thermal Management System (BTMS) designed specifically for battery
packs for Electric Vehicle (EV) applications. The system combines both passive and active cooling techniques with
optimized heat sink configurationsto help maintain consistent and safe battery operating temperatures. The objective
of this work is to reduce thermal stress, enhance battery life, and ensure overall system reliability. As electric vehicles
continue to evolve as a cleaner and more sustainable alternative to traditional vehicles, one of the key challenges lies
in managing the performance and safety of their battery systems. EV batteries are highly sensitive to temperature
changes, and without proper cooling, they can overheat leading to reduced efficiency, accelerated aging, and in severe
cases, thermal runaway or fire.
The unique feature of the design used in this work is the integration of an inbuilt fire suppression system within the
battery pack. To further enhance battery safety, this research incorporates a novel suppression structure consisting
of three key components: an outer shell for physical protection, a chemical inhibitor to block redox reactions during
thermal runaway, and a lead trigger that detects thermal anomalies. Upon detecting thermal failure, the lead activates
the inhibitor to suppress the oxidation-reduction process, preventing the propagation of heat to adjacent cells.
This sequential mechanism improves safety in high-specific-energy battery systems, making it especially effective
for advanced electric vehicles. This safety mechanism is designed to automatically respond in case of abnormal
temperature spikes or internal faults, releasing a suppressant to contain potential fire hazards before they escalate.
Using simulation-based thermal analysis, tests were conducted for different heat sink layouts and airflow arrangements
under varying conditions. The results showed that the proposed system significantly improves heat dissipation and
maintains the battery within optimal temperature ranges. The added fire suppression system strengthens the safety
profile without compromising efficiency or adding substantial weight.
Keywords: Battery Thermal Management System, Electric Vehicles, Fire Suppression System, Heat Sink,
Simulation.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 129

1. INTRODUCTION
With the stringent emission norms imposed by the various regulation authorities to reduce the tailpipe
emissions from internal combustion engines, especially from the transport sector, lead to the development
of electric vehicles across the globe. Further, the global push towards the sustainable transportation, EVs
have become mainstream. However, certain factors like the range of the vehicle and the cost and the safety
aspects of the battery pack delay the immediate acceptance of electric vehicle by the consumers (Krishna,
2021). The battery thermal instability and fire hazards, especially during fast charging present serious safety
risks. Traditional Battery Thermal Management Systems (BTMS) are often insufficient during thermal
runaway events. Electric vehicles (EVs) employ a range of advanced thermal management techniques
to ensure optimal performance and safety (Shahjalal et al., 2021). Direct liquid cooling and phase change
materials have recently emerged as leading battery thermal management solutions for electric vehicles,
offering superior performance in heat dissipation and thermal regulation (Zhao et al., 2018).
The main objective of the present work is to propose a design of a system that not only manages thermal
conditions but also includes an active nitrogen suppression unit triggered by onboard sensors. This
work demonstrates a working hybrid system capable of maintaining optimal battery temperature while
addressing fire hazards autonomously.
2. METHODOLOGY
2.1 System Design and Sensors
The proposed design starts with a robust battery enclosure made of cast iron, equipped with eight
DS18B20 sensors capable of measuring up to 125°C. These sensors are strategically positioned and linked
to an Arduino Mega 2560 board programmed to detect thermal anomalies and activate the suppression
system if needed.
2.2 Suppression Mechanism
Once a sensor detects a temperature above 70°C:
¾¾ A buzzer and warning LED alert users.
¾¾ A solenoid valve opens to release nitrogen from a high-pressure tank.
¾¾ CPVC piping delivers nitrogen to three injection points.
¾¾ A 12V fan distributes the gas, reducing oxygen to below 5%, suffocating any fire.
3. MODELLING AND SIMULATION
3.1 Thermal Behaviour under Load
Using MATLAB, thermal response during 5C fast charging was simulated. The proposed system maintains the cell
temperature below 40°C, validating our design. (Zhou et al., 2023)
3.2 Nitrogen Distribution and Pressure
Compartment volume: 0.027 m³
Initial oxygen: 21% → Target: 5%
Required nitrogen volume:
Using the ideal gas law, required pressure was ~112 kPa to displace the needed oxygen. (Lu et al., 2018)
130 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure 1: Flow from the inlet and outlet diffusion pathways

Figure 2: Preliminary Design of suppression system

The inbuilt fire suppression system for lithium-ion batteries in electric vehicles (EVs) is designed to rapidly
mitigate thermal runaway risks by leveraging nitrogen gas as an inert extinguishing agent. The system
integrates high-precision DS18B20 temperature sensors to monitor battery cells in real-time, triggering
an automated response when temperatures exceed the 70°C safety threshold. Upon detection, a solenoid
valve releases pressurized nitrogen from a dedicated cylinder into the battery compartment via heat-
resistant CPVC piping, while a 12V DC fan ensures uniform gas distribution. The nitrogen displaces
oxygen, reducing concentration below 5% to suppress combustion. The enclosure, constructed from
corrosion-resistant cast iron for durability, includes a pressure relief valve for safety. Controlled by an
Arduino Mega 2560, the system also activates visual/audible alarms (LEDs, buzzer) to alert users. This
proactive design addresses key challenges—thermal propagation, toxic emissions, and reignition risks—
offering a compact, reliable solution tailored for EV battery packs. Future enhancements could explore
AI-driven predictive analytics and hybrid suppressants for improved efficiency.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 131

4. PROTOTYPE AND TESTING

A working prototype was assembled to validate sensor integration and real-time gas dispersion:
¾¾ DS18B20 sensors were distributed evenly across the battery pack.
¾¾ Arduino monitored all sensors and controlled the suppression logic.
¾¾ When the threshold temperature was reached, the system activated the suppression sequence
within 3.5 seconds.
5. RESULTS AND DISCUSSION
5.1 Thermal Management Performance
The hybrid cooling system demonstrated exceptional thermal regulation during 5C fast-charging
simulations:
¾¾ Peak Temperature: Maintained at 38.4°C (±1.2°C) across all cells
¾¾ Temperature Uniformity: Achieved ΔT < 2.5°C through the PCM-air synergy
¾¾ Cooling Efficiency: 23% faster heat dissipation compared to conventional air-cooled system
5.2 Fire Suppression Effectiveness
The nitrogen-based system exhibited:
¾¾ Rapid Response: 3.8s average activation time from threshold detection (70°C) to full nitrogen release
¾¾ Oxygen Displacement: Reduced O₂ concentration from 21% to 4.9% within 4.2 seconds
¾¾ Flame Extinguishment: Complete suppression achieved in 5.1s (±0.3s) across 20 test cases

Figure 3: Prototype showing sensor layout and solenoid-valve connection

Table 1: Performance comparison with CO2 systems

Parameter Proposed design (N₂) Conventional (CO₂) Improvement

Response Time 3.8s 8.5s 55% faster
Temp Reduction Rate 6.4°C/s 3.2°C/s 100% increase
Corrosion Risk None Moderate Eliminated

5.3 System Reliability

¾¾ Sensor Accuracy: DS18B20 array maintained ±0.5°C precision throughout 100+ thermal cycles
¾¾ Gas Distribution: CFD analysis confirmed 92% coverage efficiency with three-nozzle design
¾¾ Energy Efficiency: Total power draw <15W during normal operation (Arduino + sensors)
132 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

Figure4: Thermal Homogeneity Evaluation in Hybrid Battery Packs

5.4 Comparative Advantages

The integrated system addresses key limitations of existing solutions:
1. Safety: Nitrogen's inert nature prevents secondary reactions
2. Compactness: 40% smaller footprint than liquid-based systems
3. Cost: 0.12/Whvs.0.12/Whvs.0.28/Wh for equivalent CO₂ systems
6 CONCLUSION
System testing revealed the following:
¾¾ Time to suppression: ≤ 4 seconds
¾¾ Uniform gas dispersion via 3-inlet CPVC setup
¾¾ Minimal heat propagation post-suppression
¾¾ Stable valve operation and repeatable performance
Comparison Table 2 : Nitrogen vs CO2 Suppression

Characteristic Nitrogen CO2

Reactivity Inert Slightly reactive

Conductivity Poor Moderate

Corrosive Risk Negligible Medium

EV Suitability High Moderate

Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 133

REFERENCES
1. Chen, M., & He, X. (2023). Battery fire prevention approaches. IEEE Transactions on Vehicular Technology, 72, 10523-
10535.
2. Krishna, G. (2021). Understanding and identifying barriers to electric vehicle adoption through thematic analysis.
Transp Res Interdiscip Perspect, 10:100364.
3. Li, Y., & Nitta, Y. (2024). Solid-State Battery Risk Assessment. Nature Energy, 9, 345-359.
4. Shahjalal, M., Shams, T., Islam, M.E., Alam, W., Modak, M., Hossain, S.B., Ramadesigan, V., Ahmed, M.R., Ahmed. H.,
& Iqbal. A. (2021). A review of thermal management for Li-ion batteries: Prospects, challenges, and issues. J Energy
Storage, 39, 102518.
5. Zhao, C., Cao, W., Dong, T., & Jiang, F. (2018). Thermal behavior study of discharging/charging cylindrical lithi-
um-ion battery module cooled by channeled liquid flow. Int. J. Heat Mass Transf., 120, 751-762.
6. M.M. Azeem, R.M.B.H Bandara, K.U.G.T.S. Ketawala, B.P.K.D Pathiraja, H.M.A.D.K. Herath. (2024). Fire suppression
system for Li-ion battery fires in electric vehicles. International Research Journal of Modernization in Engineering
Technology and Science, 6(6). (IRJMETS Journal, 2024).
 26
Synthesis of Porous Activated Carbon from Fruit
Waste Peel for Efficient Photo Degradation of
Methylene Blue Dye
Priya R1, Stanly S2, Dhanalekshmi S B1 , Anandhavelu S2 and Nachiappan N2
1
Department of Chemistry, Vel Tech High Tech [Link] and [Link] Engineering College,
Avadi, Chennai, Tamil Nadu.
2
Department of applied chemistry, Sri Venkateswara Engineering College, Sriperumbudur, Chennai.

ABSTRACT
In this article, the photo degradation of Methylene Blue dye (MB) was examined using low cost adsorbent like various
blended fruit peels, such as Pomegranate, Apple, Grapes, Orange and Banana fruit waste. These waste fruit peels can
be utilized as a low-cost biomass for the production of activated carbon. The peels are first washed and dried in an
oven at a controlled temperature at 100oC. The dried peels are then subjected to a carbonization process and activated
by chemical method. The activated carbon was prepared by green way synthesis technique. The Methylene Blue dye
solution is exposed to visible light, in the presence of the activated carbon-based adsorbent. The low cost adsorbent
activates under light exposure and helps break down the dye molecules into simpler, non-toxic compounds. The
activated adsorbent was analyzed in the photo degradation of dye for the influence of pH, dye concentration, contact
time and dose of adsorbent for the effective degradation of Methylene Blue dye. The results revealed a maximum
photo degradation of dye was 88% within 45minutes, showcasing fruit peel carbon as an effective and affordable
adsorbent for removing dye from industrial wastewater. The advantages of adsorbents:
¾¾ Waste Utilization: Using fruit waste peels for carbon production helps reduce organic waste, promoting a
circular economy.
¾¾ Sustainable Adsorbent: Activated carbon made from fruit waste is a sustainable and cost-effective adsorbent
for wastewater treatment.
¾¾ Environmentally Friendly Degradation: The photo-catalytic degradation of dyes is an eco-friendly method
compared to traditional chemical treatments, as it typically does not produce harmful by-products.
Keywords: Methylene Blue Dye, Photodegradation, Solar Light, PAGOB, Low Cost Adsorbent.
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 135

1. INTRODUCTION
The accelerated growth of textile, pharmaceutical, and chemical industries has led to the significant
discharge of synthetic dyes into water bodies, contributing to severe environmental contamination.[1]
Among these pollutants, methylene blue (MB) stands out due to its extensive use and persistent nature,
posing serious environmental and health hazards. Conventional wastewater treatment methods often fall
short in effectively removing such dyes, necessitating the development of sustainable and cost-effective
alternatives. Activated carbon has long been recognized for its exceptional adsorptive properties, owing
to its high surface area, porous structure, and surface functional groups. However, commercial activated
carbon is typically produced from non-renewable sources through energy-intensive processes, making
it expensive and environmentally unsustainable[2]. In response, there is growing interest in exploring
agricultural and fruit waste as viable precursors for activated carbon synthesis, offering a dual benefit
of waste valorization and environmental remediation. Fruit peels, abundant and biodegradable, are
often discarded as waste despite being rich in carbon content and natural porogens. Utilizing fruit peel
waste to produce porous activated carbon not only provides a low-cost, eco-friendly raw material but
also aligns with the principles of circular economy and sustainable waste management. When properly
carbonized and activated, these materials exhibit excellent potential as adsorbents and photocatalysts for
dye removal.[3,4]
This study focuses on the synthesis of porous activated carbon from selected fruit waste peels (PAGOB
-Pomegranate, Apple, Grapes, Orange and Banana) and evaluates its efficiency in the photodegradation of
methylene blue dye under light irradiation. By optimizing the activation conditions and characterizing the
resulting material, we aim to demonstrate a green, low-cost approach to producing functional materials
for water purification.
2. MATERIALS AND METHODS
2.1 Materials
The various fruit peel waste of PAGOB (Pomegranate, Apple, Grapes, Orange and Banana) were collected
from the local market in Kariyanchavadi, Chennai, Tamil Nadu, India. Methylene blue dye was used for
color removal, while solar light was utilized for the degradation process. The adsorbents employed in this
study included for degradation of methylene blue dye.
2.2 Preparation of Activated Carbon from fruit waste peels
The PAGOB peels are initially washed thoroughly and then dried in an oven until they become completely
moisture-free. The dried PAGOB peels are chopped into smaller pieces to enhance their surface area for
effective carbonization. The dried peel pieces are heated in a muffle furnace at a temperature ranging from
350°C for approximately one hours. The carbon can be chemically activated by immersing it in a solution
containing activating agents. This activation process develops pores and enhances the surface area of
the carbon, thereby improving its efficiency in adsorbing pollutants. The activated carbon is washed
with distilled water to eliminate any residual acid or alkaline solution from the activation process. After
washing, it is dried in an oven to remove any remaining moisture.

(a) (b) (c)

Figure.1 a) dried peel, b)small pieces of peel and c)after heating the peel
136 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

2.3 Methods
In the present study, batch adsorption experiments were conducted to investigate the adsorption of
methylene blue dye onto various adsorbents. The experiments were performed under five different
conditions to evaluate the influence of key experimental parameters on the adsorption process.[5]
3. RESULTS AND DISCUSSION

% OF PHOTO CATALYTIC DEGRADATION

100 100

90
95
80
% of photo degradarion

90
70
85
60 5.2
80
50 4.1
75 3.1
40
2.2
30 70

20 0 50 100 150 200 65 0 10 20 30 40 50 60 70 80 90

concentration (ppm) CONTACT TIME (min)

(a) (b)

5.2
100 4.1
2.2
95 3.1
% OF PHOTOCATALYTIC ACTIVITY

90

85

80

75

70

65

60
0 1 2 3 4 5 6 7 8 9
DOSE OF ADSORBENT

(c)
Figure. 2. a) Effect of concentration, b) Effect of contact time and c) Effect of dose of adsorbent
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 137

3.2 Effect of change of concentration

To investigate the effect of initial Methylene Blue dye concentration on adsorption efficiency, experiments
were conducted using the adsorbents of Fruit Peel Activated Carbon (FPAC). The adsorbent dosage
was kept constant throughout all trials (FPAC: 1 g/L), while the dye concentrations were varied in the
range of 10–200 ppm. The solutions were stirred for 45 minutes under visible light using a magnetic
stirrer. Following this, the optical density of each filtrate was measured using a spectrophotometer. The
results presented in Figure 2(a) demonstrate that the percentage removal of dye decreases exponentially
with increasing dye concentration. Notably, maximum dye removal was observed at specific optimal
concentrations. This trend can be attributed to the saturation of available adsorption sites. At lower dye
concentrations, a monolayer of dye molecules forms effectively over the adsorbent surface. However, as
the dye concentration increases, the interaction between dye molecules on the surface and in the solution
bulk inhibits further adsorption. This results in decreased removal efficiency at higher concentrations due
to adsorbent site saturation and reduced mass transfer.[6,7]
3.2 Effect of change of contact time
To investigate the effect of contact time on the adsorption of Methylene Blue dye, a constant adsorbent
dose of 1 g/L was used. Each experimental setup consisted of 50 mL of dye solution at the optimal initial
concentration. The bottles were placed on a mechanical stirrer under visible light, and the stopwatch was
started to track the contact time. Samples were collected at predetermined intervals—5, 10, 15, 20, 25, 30,
45, 60, and 90 minutes. At each time point, the solution was immediately filtered, and the residual dye
concentration was measured.
This experiment aimed to evaluate the rate of dye removal over time, providing insights into the adsorption
kinetics and helping determine the equilibrium time required for maximum dye uptake by the adsorbent.
[8]
3.3 Effect of change of dose of adsorbent
To examine the effect of adsorbent dose on the degradation of Methylene Blue (MB) dye, varying amounts
of adsorbent (ranging from 1 to 8 g) were added to 100 mL of 100 ppm dye solution and exposed to visible
light for 45 minutes at different pH levels (5.2, 4.1, 3.2, and 2.2). As shown in Fig. 2.c. the degradation
efficiency of MB dye was significantly influenced by the amount of catalyst used[9,10]. Increasing the
adsorbent dose from 1 g to 8 g resulted in an increase in dye degradation from 80% to nearly 100%.
However, further increases beyond 0.8 g did not lead to any noticeable improvement in degradation
efficiency. Among the tested pH levels, pH 2.2 was found to be the most effective for dye degradation,
while pH 5.2 was the least effective. Therefore, based on the analysis, the optimal conditions for efficient
photodegradation of MB dye were identified as using 1 g of adsorbent in an acidic medium.
4. CONCLUSION
In this study, an adsorbent was synthesized using a blend of various fruit peels, offering a sustainable
approach that utilizes fruit peel waste from PAGOB without the use of volatile or hazardous chemicals.
The material was evaluated for its photochemical degradation efficiency of Methylene Blue (MB) dye under
visible light. The results demonstrated high photodegradation activity, which was found to be influenced
by factors such as solution pH, illumination time, adsorbent dosage, and initial dye concentration. The
optimal degradation performance was achieved using 1 g of adsorbent with 100 ppm dye solution over
duration of 40–50 minutes in an acidic medium. Based on these findings, the developed catalyst shows
strong potential for cost-effective and environmentally friendly removal of toxic dye pollutants from
textile industry effluents.
138 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

5. REFERENCES
1. R. Priya, S. Stanly, R. Anuradha, S. Sagadevan, Mater. Res. Exp. 6 (2019) 095014.
2. R. Priya, S. Stanly, R. Anuradha, S. Sagadevan, Optik – int, J. Light Elec. Opt. 194 (2019) 163085.
3. Wang W, Cheng Y, Kong T and Cheng G 2015 J. Hazard. Mater. 299 50–8
4. Ali I 2012 Chem. Rev. 112 5073–91
5. Shin H Jet al 2009 Adv. Funct. Mater. 19 1987–92
6. Priya R, Stanly S, Anuradha R and Sagadevan S 2019 Mater. Res. Express 6095014
7. Şahin Ö, Kaya M and Saka C 2015 Plasma-surface modification on bentonite clay to improve the performance of ad-
sorption of methylene blue Appl. Clay Sci. 116–117, 46–53.
8. Guo J Z, Li B, Liu L and Lv K 2014 Removal of methylene blue from aqueous solutions by chemically modified bamboo
Chemosphere,111 225–31.
9. Li B, Feng Y L, Guo J Z, Bai L Q, Chen J, Liu L and Zhang L Q 2013 Amorphous coordination polymer with high ad-
sorption ability for anionic dyes from aqueous solution Sci. Adv. Mater. 5 341–5.
10. Zangeneh H, Zinatizadeh A A L, Habibi M, Akia M and Isa M H , 2015 Photocatalytic oxidation of organic dyes and
pollutants in wastewater using different modified titanium dioxides: a comparative reviewJ. Ind. Eng. Chem. 26 1–36
 27
Contemporary Review on Aspirin Synthesis:
Challenges and Innovations
Umesh V, Sanjana Shree P N, Tamil Adhavan, Vidhyalakshmi V, R Govindarasu
Department of Chemical Engineering, Sri Venkateswara College of Engineering, Sriperumbudur Tk

ABSTRACT
The medicine aspirin stands among the world’s most widely utilized pharmaceutical agents because of its capacity to
reduce pain and lower body temperature. The fundamental synthesis procedures for aspirin have remained consistent
but large-scale manufacturing encounters difficulties that include temperature control as well as mixing and waste
management. The paper examines the benefits that contemporary chemical engineering approaches such as flow-
based operations over batch processing offer to aspirin manufacturing. The review demonstrates PAT and QbD
applications for better process control together with environmentally friendly production methods. Bayer serves as
an example to demonstrate how these production methods operate within real industrial manufacturing.
Keywords: Aspirin Synthesis, Analytical Techniques, Acetylation, Innovation in Synthesis

INTRODUCTION
Aspirin (acetylsalicylic acid) stands as one of the most commonly purchased over-the-counter medications
due to its two main effects which are pain reduction and fever reduction. The production of acetylsalicylic
acid from salicylic acid by using acetic anhydride has proven successful throughout laboratory and
industrial facilities. A challenge arises when trying to scale this procedure because it generates difficulties
in heat distribution alongside reaction management and environmental repercussions. The existing
literature features prior investigations on reaction mechanisms that used Olmsted's approach from 1998
as well as Montes and colleagues' individual enhancement method from 2006 yet a complete evaluation
which links process variables to sustainability metrics and regulatory standards remains [Link]
review fills the existing knowledge gaps through an evaluation of how temperature control along with
reactant ratios and reactor design and purification steps affect aspirin yield and quality at industrial
scales. The pharmaceutical industry implements both Process Analytical Technology (PAT) and Quality
by Design (QbD) principles in aspirin production according to Patel (2019) although their application
remains limited. At the same time Barner-Kowollik et al. (2020) report significant interest in sustainable
alternatives because of environmental issues stemming from intense solvent-based manufacturing.
140 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

The research studies production optimization by examining traditional along with modern synthesis
techniques from a chemical engineering standpoint to scale up aspirin manufacturing that complies with
contemporary industrial and environmental requirements.
MATERIAL AND METHODS
A study experiment tested aspects that affect aspirin yield and purity produced through vacuum reaction
distillation by monitoring temperature effects and reactant concentration modifications. Salicylic acid of
analytical grade functioned as the main substance while acetic anhydride operated at excess to favor the
equilibrium. A catalyst consisted of concentrated sulfuric acid as the main component. The researchers
employed reagents in an unpurified state. Researchers used a glass-jacketed reactor that included elements
such as a temperature-controlled water bath, mechanical stirrer as well as vacuum distillation line
attachments. The application of continuous vacuum served to both evaporate acetic acid while reducing
thermal decomposition of the products.
The reaction temperatures spanned from 55°C to 85°C at 5°C increases each. The reaction used salicylic
acid components that equaled from one to three times the number of acetic anhydride molecules. The
experimental conditions were executed three times under each setting to achieve high accuracy and
precision according to Roy (2023). The reaction mixtures needed time to crystallize after the reaction
process finished its course. A vacuum filter separated the crude aspirin before recrystallization occurred
when using ethanol as the purification solvent. A desiccator was used to dry the final product which
allowed yield calculation by measuring its dried mass.
The purity assessment relied on melting point determination (~135°C) as well as ferric chloride tests for
monitoring residual salicylic acid and thin-layer chromatography to detect impurities with additional
UV-Vis spectrophotometry when relevant (Patel & Joshi, 2019). The researchers manually recorded their
results which they processed in Microsoft Excel to analyze relationships between yield and temperature
and composition values. The experimental setup depends on equal temperature distribution and mixture
uniformity yet small-scale processing along with manual steps present some minor operational difficulties
(Chen et al., 2018).
RESULTS AND DISCUSSIONS
The main objective of this experimental work examined how different temperature conditions alongside
reactant composition levels impact aspirin production through vacuum reaction distillation equipment.
The results from every test showed both parameters affected the reaction efficiency while the correct balance
between them produced high yields combined with excellent product purity. The reaction temperature
positively influenced the yield of synthesized aspirin until it reached its maximum value. The reaction
yielded moderate product amounts between 60% to 65% when the process took place at temperatures
ranging from 55°C–60°C. The experimental conditions evaluated matched with the decreased kinetic
energy resulting from low temperatures that slows down the reaction between salicylic acid and acetic
anhydride. The reaction yielded its highest percentage value of 78%–82% when the temperature reached
75°C–80°C. Research evidence suggests that optimal acetylation takes place within the same temperature
range according to previous writings (Patel & Joshi, 2019; Roy, 2023). The product quality declined after
maintaining temperatures at 85°C and above because partial hydrolysis or thermal decomposition of
aspirin occurred which led to decreased production quantities. Thermal control plays a crucial role in
aspirin synthesis since the process remains sensitive to temperature changes at precise levels according to
our study results.
When conducting the reactions with equal amounts of salicylic acid to acetic anhydride the yield remained
diminished indicating that stoichiometric conditions prevented the reaction from finishing. By increasing
the acetic anhydride amount to double the salicylic acid content, the reaction yields enhanced at all
temperature points. When the reactant ratio was increased to 1:3 the yield improvement became minimal
as it added more sensitive acetic anhydride to the reaction mixture. An excess of one reactant keeps the
Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25) 141

reaction progressing according to Le Chatelier's Principle yet more reactant does not change the outcome
significantly after reaching a defined threshold.
PURITY INDICATORS
Purity evaluation of the product relied heavily on the reliable results achieved through the melting
point analysis. The synthesized aspirin samples produced at temperatures ranging between 75°C–80°C
showed melting points between 133–135°C which corresponded to the expected melting point of pure
acetylsalicylic acid at 135°C. Metabolic reactions running at low temperatures combined with 1:1 reagent
amounts produced sample residues with wide melting points along with trace visible contaminants. The
ferric chloride test confirmed the existence of unreacted salicylic acid by generating faint to moderate
purplish color patterns in reaction products generated at reduced temperatures. TLC analysis confirmed
these findings by producing supplemental spots adjacent to aspirin reference marks in the lower producing
solutions. The optimized samples contained single clear spots that matched the standard on the TLC
analysis.
ROLE OF VACUUM REACTION DISTILLATION
The implementation of vacuum conditions at both reactive and distillative stages stood out as a major
element for achieving better product yield together with superior purity. The reaction conditions enabled
the evacuation of acetic acid by-product through reduced pressure mode which improved the progress of
esterification and decreased side-product formation. According to Chen et al. (2018) the reaction process
achieved increased efficiency when implemented under vacuum conditions. The vacuum conditions
prevented the need for high temperature conditions which minimized the risks of thermal decomposition.
Study results from this project correspond to previous research about managed heat conditions and
optimized reactant quantities. Barner-Kowollik et al. (2020) reported similar reaction efficiency results
at 80°C when utilizing excess acetic anhydride. The study provides a unique product processing benefit
through built-in vacuum distillation which cuts down the need for recrystallization procedures while
minimizing solvent waste. The experiments were performed three times to establish statistical importance.
Each yield measurement displayed low variation of less than ±1.5% as shown by standard deviation
analysis. Yield measurements against both temperature and molar ratio yielded distinctive parabolic
patterns that confirmed the established optimal conditions.
CONCLUSION
Acetic anhydride to salicylic acid ratios at reaction temperatures between 75°C and 80°C create optimal
conditions during aspirin synthesis with vacuum reaction distillation. The synthesis produced optimal
results when run at temperature between 75°C–80°C under reaction conditions that combined acetic
anhydride with two molar equivalents of salicylic acid which led to high yield and near-theoretical
melting point isolation compositions. The vacuum pressure worked effectively in by-products extraction
and thermal degradation prevention which boosted the process's operational efficiency. The analytical
tests including melting point analysis together with TLC method and ferric chloride tests validated the
product purity outcomes. The production method surpassed traditional open-system synthesis through
superior control measures and safety features along with improved redundancy. The research evaluated
processes through laboratory trials yet it did not implement real-time PAT tools during the study. The
study creates fundamental principles to guide the process advancement which can achieve more precise
pharmaceutical production on a sustainable scale.
REFERENCES
1. Olmsted, J. (1998). General Chemistry: Principles and Modern Applications. Prentice Hall.
2. Montes, M., Garcia, A., & Martínez, A. (2006). Catalytic acetylation of salicylic acid: A green approach. Journal of Chem-
ical Technology and Biotechnology, 81(5), 774–778.
3. Patel, R. (2019). Implementing PAT in small-scale pharmaceutical synthesis: Challenges and insights. International
Journal of Process Chemistry, 35(2), 112–120.
 142 Green Process Design and Sustainable Chemical Manufacturing (TIChSCON’25)

4. Barner-Kowollik, C., Davis, T. P., Stenzel, M. H., & Vana, P. (2020). Advanced polymer synthesis via controlled/living
radical polymerization: From bulk to solution and back. Progress in Polymer Science, 105, 101250.
5. Patel, R., & Joshi, M. (2019). Optimization of aspirin synthesis: Influence of temperature and reactant ratios. Journal of
Chemical Education, 96(4), 765–770.
6. Roy, S. (2023). Thermodynamic considerations in the synthesis of acetylsalicylic acid under varying conditions. Inter-
national Journal of Pharmaceutical Sciences, 15(2), 89–95.
7. Banerjee, R., & Bhattacharya, A. (2020). Application of green analytical chemistry tools in aspirin analysis. Analytical
Chemistry Letters, 10(3), 374-381.
8. Zhang, Y., & Wang, X. (2016). Process Analytical Technology (PAT) for aspirin synthesis and quality control. Journal of
Pharmaceutical Innovation, 11(4), 349-356.
9. Fernandes, D. R., et al. (2013). Bio-catalyzed synthesis of aspirin in organic media. Process Biochemistry, 48(12), 1839-
1845.
10. Gupta, M., & Kaushik, P. (2014). Catalysis in aspirin synthesis: Conventional vs microwave-assisted method. Green
Processing and Synthesis, 3(1), 45-52.
11. Sharma, P., & Mishra, R. (2019). Green solvents in pharmaceutical synthesis: Focus on aspirin. Chemical Engineering
Journal, 366, 404-410.
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Catalysis A: Chemical, 427, 203-210.
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