EH2207XX

DESIGN PROJECT I (JANUARY 2023)

PRODUCTION OF 22, 000 METRIC TONNES OF SYNTHETIC NATURAL

GAS

CHAPTER 5: PROCESS SIMULATION

GROUP MEMBERS

MUHAMMAD IHSAN SYAHMI BIN KEFELI 2019405268

SITI FATIMAH BINTI MOHD RAHIM 2019406556
MUHAMMAD FIRDAUS BIN ZAKARIA 2020869346
MAR`IE IZZATI BINTI ZAKARIA 2019883478
AMIRUL IYSKANDAR BIN AMIRUDDIN 2020859654

SUPERVISOR:
MADAM NORASMAH MOHAMMED MANSHOR

SCHOOL OF CHEMICAL ENGINEERING

COLLEGE OF ENGINEERING
UNIVERSITI TEKNOLOGI MARA
SHAH ALAM
 EXECUTIVE SUMMARY

The demand for energy is rising worldwide and one of the most affordable and reliable
energy sources now available in the globe is natural gas. However, natural gas is expected
to lose its availability in the next 40 to 60 years. As a result, this project aims to build a chemical
plant that will produce 22,000 metric tonnes of synthetic natural gas (SNG) per year to support
the energy sector. There are several ways can be used to produce SNG, despite that, coal-
to-SNG process has been chosen in this project through screening and scoring method, and
this process has a proven record of success for large-scale applications over many years. On
top of that, coal is a fossil fuel that is abundant in many parts of the world, and it has a higher
energy density than most types of biomass, which leads to more energy content per unit of
weight.

The plant will be operated in Malaysia. A significant contributor to gas demand in

Malaysia is the power generation industry, which is followed by the industrial and non-energy
sectors in relatively proximity. In the circumstances, three industrial locations have been
identified and short-listed in Malaysia for the SNG plant location which are Kerteh
(Terengganu), Gebeng (Pahang), Pasir Gudang (Johor). The proposed locations are short-
listed based on their strategic location, land availability and economic forecast. To further
identify the most suitable location, elements such as raw material availability, market
availability, labor availability, transportation, utilities, climate change, land size and waste
management are considered. Second time around, screening and scoring method are used
to identify the most suitable site location and Gebeng Industrial Park which located in the state
of Pahang has been chosen.

Mass balance is performed for determining the conversion rate of a process by

considering the conservation of mass in calculations of materials entering or leaving the
system. Mass balance is a fundamental concept in the field of chemistry, physics and
engineering which refers to the balance between the amount of a substance that enters a
system and the amount that leaves the system. In this production, material balance for each
unit operations were calculated manually using excel. To produce 22,000 metric tonnes of
SNG per year using coal as the raw material, there are 10,700 kg/hr of coal are needed to
accomplish the production. Based on the calculation, the final product reach 99% purity of
methane which is the main component in natural gas. Besides, a high purity of oxygen with
7129.34 kg/hr are needed to break the coal composition in the gasification process.
 Energy balance calculation as well was performed in this project to calculate the total
energy used in coal-to-SNG production. Energy balance is a fundamental concept that states
that the amount of energy entering a system must be equal to the amount of energy leaving
the system, and it's used to understand and predict the behaviour of energy in a system. In
this study, the energy balance calculation is assumed to be operated at steady state, no
moving parts in the system, operation unit is an open system and energy such as kinetic and
potential are neglected as well.

To model and analyze the performance of chemical processes and systems in this
work, ASPEN PLUS simulation software has been used. Chemical process simulation
software (CPSS) is one of the most important tools for simulation since the design and
optimization of chemical processes in large quantities of calculations require investigation of
the process's behaviour and analysis of the process's viability. Instead of ASPEN HYSYS,
ASPEN PLUS was chosen due to its ability to handle a non-conventional solid in this
production which is coal. The process involved in the simulation are air separation, coal drying,
coal gasification, water gas shift, acid gas removal and methanation. Peng-Robinson fluid
package was used in this simulation because most of the components’ presence in the
process are gases or non-polar. This simulation achieved 99% mole of methane in the end of
the process, which is deemed to be above and beyond what is required for a synthetic natural
gas (SNG) composition (95%).

After the desired product has been achieved based on the demand and market
needed, a waste generated from this production need to be control and manage in a proper
way according to the regulations set by the Department of Safety and Health (DOE). For this
production, there are three types of waste are generated which are solid, liquid and gas. All
of them are well managed according to Environmental Quality (Industrial Effluent) Regulations
2009 (IER 2009), Environmental Quality (Schedule Waste) Regulations 2005 and
Environmental Quality (Clean Air) Regulations 2014 (CAR 2014). For air pollution control,
waste CO2 will be liquefied and marketed to a chemical plant, waste H2S are diluted with water
and will be injected into a suitable underground reservoir to enhance oil recovery. Besides,
the waste generated in solid form will be sent to a schedule waste for proper waste
management. However, the wastewater generated from this plant is below 60 m3/day,
therefore it can directly discharge into the nearest river or inland water without treatment
system.
 PROCESS FLOW DIAGRAM (PFD) OF 22,000 SYNTHETIC NATURAL GAS PRODUCTION
E-101 E-102 K-101 MIX-101 P-101 R-101 R-102 R-103 R-104 R-105 T-101 T-102 V-101 V-102 V-103 V-104 V-105
E-103 E-106 K-102
E-104 K-103
E-105 K-104

Cooler Heater Compressor Mixer Pump Coal Reactor Gasifier WGS Methanation High - Low - Coal - Separator AGR SNG Water
Dryer Reactor Reactor Reactor Pressure Pressure H2O Separator Separator Separator
Column Column Separator
 SUMMARY TABLE OF MATERIAL BALANCE

Stream 1 2 H20 DRYCOAL 3 4 ASH GASPHASE 14

Temperature
25 100 100 100 645 645 645 1328 1507
(0C)
Pressure
1 1 1 1 1 1 1 5 9
(bar)
Component Mass Mole Mass Mole Mass Flow, Mole Mass Mole Mass Flow, Mole Mass Mole Mass Mole Mass Mole Mass Mole
Flow, Flow, Flow, Flow, kg/hr Flow, Flow, Flow, kg/hr Flow, Flow, Flow, Flow, Flow Flow, Flow, Flow, Flow,
kg/hr kmol/h kg/hr kmol/h kmol/h kg/hr kmol/h kmol/h kg/hr kmol/h kg/hr , kg/hr kmol/h kg/hr kmol/h
kmol/h

COAL 10700.00 5.54 8661.65 4.49 - - 8661.65 4.49 - - - - - - - - - -

H2 - - - - - - - - 424.42 212.21 424.42 212.21 - - 365.31 182.66 365.31 182.66
CH4 - - - - - - - - - - - - - - 157.62 9.85 157.62 9.85
C2H4 - - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO - - - - - - - - - - - - - - 13377.91 477.78 13377.91 477.78

CO2 - - - - - - - - - - - - - - 650.18 14.78 650.18 14.78

O2 - - - - - - - - 1505.39 12043.16 1505.39 12043.16 - - - - - -

N2 - - - - - - - - 137.72 964.04 137.72 964.04 - - 137.68 964.04 137.68 964.04
H2O - - 2038.35 113.24 2038.35 113.42 - - - - - - - - 177.32 9.85 177.32 9.85

NH3 - - - - - - - - - - - - - - 0.04 0.00 0.04 0.00

CL2 - - - - - - - - 2.60 46.06 2.60 46.06 - - - - - -

HCL - - - - - - - - - - - - - - 3.73 0.10 3.73 0.10

ASH - - - - - - - - 536.01 7.41 - - 536.01 7.41 - - - -
S - - - - - - - - 117.80 3.68 117.80 3.68 - - - - - -
C - - - - - - - - 5910.71 492.56 5910.71 492.56 - - - - - -
STEAM - - - - - - - - - - - - - - 177.32 9.85 177.32 9.85
H2S - - - - - - - - - - - - - - 125.16 3.68 125.16 3.68
AR - - - - - - - - - - - - - - 0.66 0.02 0.66 0.02
Total 10700.00 5.54 10700 117.73 2038.35 113.42 8661.65 4.49 8661.65 13769.12 8098.64 13769.12 536.01 7.41 15172.93 1672.61 15172.93 1672.61
Stream 5 6 7 8 9 10 11 12 13
Temperature
25 279 -161 -175 -164 -195 -183 30 265
(0C)
Pressure
1 5.7 5.6 5 5.2 1.2 1.3 1 5
(bar)
Component Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole
Flow, Flow, Flow, Flow, Flow,kg/hr Flow, Flow,kg/hr Flow, Flow,kg/hr Flow, Flow, Flow, Flow, Flow, Flow, Flow Flow, Flow,
kg/hr kmol/h kg/hr kmol/h kmol/h kmol/h kmol/h kg/hr kmol/h kg/hr kmol/h kg/hr , kg/hr kmol/h
kmol/h

COAL - - - - - - - - - - - - - - - - - -
H2 - - - - - - - - - - - - - - - - - -
CH4 - - - - - - - - - - - - - - - - - -
C2H4 - - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO - - - - - - - - - - - - - - - - - -
CO2 - - - - - - - - - - - - - - - - - -
O2 7486.50 233.95 7486.50 233.95 7486.50 233.95 4171.05 130.34 3386.75 105.84 356.50 11.14 7129.34 222.79 7129.34 222.79 7129.34 222.79
N2 27807 993.11 27807 993.10 27807 993.1 27593.10 985.46 106.95 3.82 27807 993.11 0.0071 0.00025 0.0071 0.00025 0.0071 0.00025
H2O - - - - - - - - - - - - - - - - - -

NH3 - - - - - - - - - - - - - - - - - -

CL2 - - - - - - - - - - - - - - - - - -

HCL - - - - - - - - - - - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -
C - - - - - - - - - - - - - - - - - -
STEAM - - - - - - - - - - - - - - - - - -
H2S - - - - - - - - - - - - - - - - - -
AR 356.50 8.924 356.50 8.92 356.50 8.92 320.85 8.03 71.30 1.78 356.50 8.92 0.64 0.016 0.64 0.016 0.64 0.016
Total
35650 1235.98 35650 1235.98 35650 1235.98 32085 1123.84 3565 111.44 28520 1013.17 7130 222.80 7130 222.80 7130 222.80
Stream 15 16 17 18 19 20 21 22 23
Temperat
250 150 40 268.448 268.448 268 200 200 55
ure(0C)
Pressure
8.98 9 8.98 45 44 44.5 43.5 43 42.8
(bar)
Component Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole
Flow, Flow, Flow, Flow Flow, Flow Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow,
kg/hr kmol/h kg/hr , kg/hr , kg/hr kmol/h kg/hr kmol/h kg/hr kmol/h kg/hr kmol/h kg/hr kmol/h kg/hr kmol/h
kmol/h kmol/h

COAL - - - - - - - - - - - - - - - - - -
H2 365.31 182.65 616.45 305.78 616.45 305.78 616.45 305.78 - - 616.45 305.78 - - 0.64 0.0001 0.64 0.32
CH4 157.61 9.85 157.61 9.85 157.61 9.85 157.61 9.85 - - 157.61 9.85 - - 2620.57 0.52 2620.57 163.37
C2H4 - - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO 4.4397E- 7.963E-
13377.90 477.78 4817.76 172.00 4817.76 172.00 4817.76 172.00 - - 4817.76 172.00 - - 0.0022 0.0022
05 05
5.76
CO2 650.17 14.77 13457.41 305.78 13457.41 305.78 13457.41 305.78 13457.41 305.78 - - - - 253.75 5.76 253.75

O2 1.8455E- 5.7674E- 1.8455E- 5.7674E-

- - - - - - - - - - - - - -
09 11 09 11
N2 137.68 964.03 137.68 964.03 137.68 964.03 137.68 964.03 137.68 964.03 - - - - - - - -
H2O 177.32 9.85 17.34 0.96 17.34 0.96 17.34 0.96 - - 17.34 0.96 726.21 40.31 2133.03 0.42 2133.036 118.40

NH 0.03 0.00 0.03 0.00 0.03 0.00 0.03 0.00 - - 0.03 0.00 - - - - - -
3
CL2 - - - - - - - - - - - - - - - - - -

HCL 3.73 0.10 3.73 0.10 3.73 0.10 3.73 0.10 3.73 0.10 - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -
C - - - - - - - - - - - - - - - - - -
STEAM 177. 13 9.85 17.34 0.96 17.34 0.96 17.34 0.96 - - 17.34 0.96 - - 15.81 0.87 15.81 0.87
H2S 125.16 3.68 125.16 3.68 125.16 3.68 125.16 3.68 125.16 3.68 - - - - - - - -
AR - - - - - - - - - - - - - - - - - -
Total 15172.27 1672.59 19350.56 1763.16 19350.56 1763.16 19350.56 1763.16 13723.95 1273.60 5626.57 489.56 726.21 40.31 5023.82 288.74 5023.82 288.74
Stream SNG 24 25 RECYCLE 26 WATER 27 28 29
Temperature
55 55 55 55 55 25 37 38 100
(0C)
Pressure
42 42.5 42 42.3 1 1 1 9 8.98
(bar)
Component Mass Mole Mass Mole Mass Flow, Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole Mass Mole
Flow, Flow, Flow, Flow, kg/hr Flow, Flow, Flow, Flow, Flow, Flow,kg/hr Flow, Flow, Flow, Flow, Flow, Flow, Flow,
kg/hr kmol/h kg/hr kmol/h kmol/h kg/hr kmol/h kg/hr kmol/h kmol/h kg/hr kmol/h kg/hr kmol/h kg/hr kmol/h

COAL - - - - - - - - - - - - - - - - - -
H2 - - 0.64 0.32 0.64 0.32 - - - - - - - - - - - -

CH4 2503.96 156.10 116.61 7.27 116.61 7.27 - - - - - - - - - - - -

C2H4 - - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO 3.9815E-05 0.0011 3.9815E-05 - -
1.12E-03 3.98E-05 0.0011 - - - - - - - - - -

CO2 3.40 250.35 5.68 250.35 5.68 - - - - - - - - - - - -

0.07

3.6911E-
1.1534E-14 1.8452E-09 5.7662E-11 1.8452E-09 5.7662E-11 - -
O2 13 - - - - - - - - - -
N2 - - - - - - - - - - - - - - - - - -
H2O 4.05 0.22 2128.98 118.17 106.44 5.90 2022.53 112.26 2022.53 112.26 2992.59 166.11 5015.13 278.38 5015.13 278.38 5015.13 278.38

NH3 - - - - - - - - - - - - - - - - - -

CL2 - - - - - - - - - - - - - - - - - -

HCL - - - - - - - - - - - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -
C - - - - - - - - - - - - - - - - - -
STEAM - - 15.81 0.87 15.81 0.87 - - - - - - - - - - - -
H2S - - - - - - - - - - - - - - - - - -
AR - - - - - - - - - - - - - - - - - -
Total 2511.41 156.40 2512.41 132.33 489.87 20.06 2022.53 112.26 2022.53 112.26 2992.59 166.11 5015.13 278.38 5015.13 278.38 5015.13 278.38
 TABLE OF CONTENTS

5.0 Introduction ................................................................................................................ 1

5.1 Process Simulation ..................................................................................................... 1

5.1.1 Aspen Plus .......................................................................................................... 1

5.1.2 Selection of Simulation Fluid Package ................................................................. 3

5.2 Selection and Sequence of Equipment ....................................................................... 6

5.2.1 Air Separation Unit .............................................................................................. 6

5.2.2 Drying Unit .......................................................................................................... 7

5.2.3 Gasification Unit .................................................................................................. 8

5.2.4 Water-Gas Shift Unit (WGS) ................................................................................ 9

5.2.5 Acid-Gas Removal Unit ..................................................................................... 10

5.2.6 Methanation Unit ............................................................................................... 11

5.3 Separation Process Efficiency .................................................................................. 12

5.4 Fluid Flow Principle .................................................................................................. 12

5.5 PFD and Material Streams Generated from The Simulation ..................................... 13

5.6 Conclusion ............................................................................................................... 18

References ......................................................................................................................... 19
 LIST OF FIGURES

Figure 1 Guideline for Fluid Package Selection ..................................................................... 4

Figure 2 Air Separation Unit in Aspen Plus ........................................................................... 6
Figure 3 Drying Unit in Aspen Plus........................................................................................ 7
Figure 4 Gasification Unit in Aspen Plus ............................................................................... 8
Figure 5 Water Gas Shift Unit in Aspen Plus ......................................................................... 9
Figure 6 Acid-Gas Removal Unit in Aspen Plus .................................................................. 10
Figure 7 Methanation Unit in Aspen Plus ............................................................................ 11
Figure 8 Process Flow Diagram of SNG Production from Aspen Plus ................................. 13

LIST OF TABLES

Table 1 List of components present in the simulation of SNG production using Aspen Plus .. 3
5.0 Introduction

Process simulation is utilized to design, develop, analyze, and optimize technical

processes including chemical plants, chemical processes, environmental systems, power plants,
complex manufacturing operations, biological processes, and other similar technical functions.
Chemical process simulation software (CPSS) is one of the most important tools for simulation
since the design and optimization of chemical processes in large quantities of calculations require
investigation of the process's behaviour and analysis of the process's viability based on the
parameters set by the user.

Some examples of CPSS that are currently available on the market include Aspen Hysys,
Aspen Plus, CHEMCAD, ProSim, and SuperPro. The application of these tools provides
manufacturing companies with benefits due to the virtual optimization of the process.
Therfore, simulation tools have become a significant phenomenon in the manufacturing industry,
connecting the decision-making, engineering, and operation phases of the production system's
entire life cycle.

5.1 Process Simulation

The chemical process simulation software (CPSS) that we chose for the SNG production
is Aspen Plus. The process involved in the simulation are air separation, coal drying, coal
gasification, water gas shift, acid gas removal and methanation.

5.1.1 Aspen Plus

Chemical engineering is well-versed in the use of process simulation. In recent years, the use
of process simulation has become increasingly widespread. Many design engineers now have
powerful process simulation programs installed on their personal computers, and there are a
variety of modern simulation tools available Aspen Hysys and Aspen Plus. In this simulation,
Aspen Plus was chosen as it can process a non-conventional solid which is coal. Aspen Plus is
a widely used process simulation software developed by AspenTech. It is commonly used in the
chemical, petrochemical, and oil and gas industries to model and optimize process systems. The
software is designed to provide a comprehensive and user-friendly platform for simulating
complex process systems. Aspen Plus allows users to model and optimize process flows, heat

1
and mass transfer, chemical reactions, and equipment performance. It also enables users to
analyze the economic and environmental impact of their process designs. According (Aspen Plus
| Leading Process Simulation Software | AspenTech, n.d.), Aspen Plus is one of the most widely
used process simulation software in the oil and gas industry, with over 70% of survey respondents
reporting that they use the software for process simulation.

One of the key features of Aspen Plus is its user-friendly interface. The software is designed
to be intuitive and easy to use, even for those without a background in process simulation. It also
includes a wide range of pre-built models and templates, which can be used to quickly set up
simulations for common process systems. Aspen Plus is widely used in the chemical,
petrochemical, and oil and gas industries. It can be used to model and optimize everything from
simple distillation columns to complex refinery processes. The software is also commonly used in
the pharmaceutical and food and beverage industries, as well as in the power generation and
renewable energy sectors (Zheng & Furimsky, 2003). Overall, Aspen Plus is a comprehensive
and user-friendly process simulation software that can be used to model and optimize a wide
range of process systems. It is widely used in the chemical, petrochemical, and oil and gas
industries, as well as in other industries such as pharmaceuticals, food and beverage, and power
generation.

2
5.1.2 Selection of Simulation Fluid Package

Fluid package, also known as a thermodynamic model, is utilized to represent the phase
equilibrium behavior and energy level of pure compound and mixture systems, including the
enthalpy, entropy, density, and vapor-liquid equilibrium. Therefore, the selection of an appropriate
fluid package is crucial to ensure that the thermodynamic model used is compatible with the
simulation's components.

The components involved for the simulation process on Aspen Plus are shown in Table 1.
The polarity of these components is determined by the relative electronegativities of the atoms in
these chemicals that share electrons. Polar molecules form when electrons are not evenly
distributed among atoms.

Table 1 List of components present in the simulation of SNG production using Aspen Plus

Components Chemical formula Type

Coal COAL -
Hydrogen H2 Non-polar
Methane CH4 Non-polar
Ethylene C2H4 Non-polar
Ethane C2H6 Non-polar
Carbon Monoxide CO Polar
Carbon Dioxide CO2 Non-polar
Oxygen O2 Non-polar
Nitrogen N2 Non-polar
Water H2O Polar
Ammonia NH3 Polar
Chlorine CL2 Non-polar
Hydrochloric Acid HCL Polar
Sulfur S -
Carbon C -
Hydrogen sulfide H2 S Non-polar
Argon AR Non-polar

3
 From Figure 1, it represents the decision tree created by Eric Carlson, staff engineer at
Aspen Technology Incorporation, to assist the plant in considering the selection of the appropriate
fluid packages associated with the plant's process framework. (Eric C Carlson, 1996).

Figure 1 Guideline for Fluid Package Selection

Based on Table 1, most of the components are non-polar. Thus, the next consideration is
either real or pseudocomponents. Pseudo-components are one method of characterizing fluids
which the idea is to merge several components into a single component. This is rather common
in the oil and gas business. So, the components in our SNG production are not considered to fall
into this category. The next route taken for the fluid package selection will be the real components
which is either Peng-Robinson, Soave-Redlich-Kwong and Lee-Kesler-Plocker.

For Peng-Robinson method, the estimation for the activity model interaction parameters
can be derived using this method. Plus, Peng-Robinson also suitable for the vapour phase
association which can be found in this process reaction.

Therefore, the chosen fluid package for this simulation is the Peng-Robinson because
most of the components’ presence in the process are gases or non-polar as in the previous study

4
done by Liu et al., (2017). For the purpose of determining the volume of methane gas that is
composed entirely of methane, the equation of state known as the Peng-Robinson model was
utilized (Peng and Robinson, 1976). Besides, calculations of VLE and the densities of liquid
hydrocarbons can be obtained from the Peng-Robinson fluid package (Eisa, 2014). Since the
components employed in this simulation has the ability to reach high temperature and pressure,
thus the Peng-Robinson fluid package was utilized for the simulation of SNG production.

5
5.2 Selection and Sequence of Equipment

5.2.1 Air Separation Unit

Figure 2 Air Separation Unit in Aspen Plus

Air separation unit (ASU) is a facility that separates oxygen from the atmospheric air. The
Aspen Plus model that was designed is a double-column unit, with the feed going into the high
pressure column (HPC) and the distillate going into the low pressure column (LPC) (Omer et al.,
2017). The feed is the cryogenic atmospheric air. The feed goes through a compressor (K-101)
and a cooler (E-101) before it enters the distillation columns with a temperature and pressure of
-1610C and 6 bar. According to Park and Scott (2020), the HPC number of stages is (n=10) which
is lower than LPC (n=30) to optimize oxygen concentration. Then, the HPC reflux ratio is (R=0.75)
which is lower than the LPC (R=3). The feed locations of the LPC are at stage 13 (stream S9)
and 15 (stream S8) while the feed location of the HPC is at stage 5 (stream S7). The products
are a gaseous oxygen stream at stream S11 and a nitrogen-rich gas mixture at stream S10.
Lastly, the gaseous oxygen product (stream S11) goes through a heater (E-102) and a
compressor (K-102) to increase the temperature and pressure of the stream to 2650C and 5 bar.
Overall, these optimization process produced a gaseous oxygen stream with a concentration of
0.999908.

6
5.2.2 Drying Unit

Figure 3 Drying Unit in Aspen Plus

The purpose of the drying unit is to remove moisture from the wet coal. It is essential to
keep coal dry, as wet coal is notoriously difficult to burn as it does not sustain a flame. Chemical
characterization of coal used in the simulation is shown in Table 2. Coal can be dried out by
heating it to a temperature of 100°C (Jorge, 2020). Thus, a stoichiometric reactor (R-101) is used
to remove the water from the coal by heating the coal from 25°C to 100°C at 1 bar. The product
stream (stream S2) which contains dry coal and water then goes to a separator (V-101) to
separate water at top stream and dry coal at bottom stream.

Table 2: Chemical Characterization of Coal Used in Simulation

Characterization Value (%)

Proximate Analysis (wt.% wet)
Ash 6.5
Volatile matter 45.89
Fixed carbon 47.61
Moisture content 19.05
Ultimate Analysis (wt.% dry)
C 68.24
H2 4.9
N2 1.59
S 1.36
O2 17.38
Cl2 0.03
Ash 6.5
([Link]

7
5.2.3 Gasification Unit

Figure 4 Gasification Unit in Aspen Plus

In the simulation, coal and ash are treated as unconventional components in the Aspen
Physical Database. For the purpose of calculating their enthalpy, the built-in models known as
HCOALGEN and DCOALIGT are utilized (Liu et al., 2017). Conventional components involved in
gasification include C, S, CO, CO2, CH4, H2, H2O, O2, N2, CL2, H2S and etc. In gasification unit, a
reactor yield (R-102) is used to break up the dry coal to several components such as ash, C, H2,
N2, Cl2, S, and O2 at 645°C and 1 bar. Then, the product stream goes to a separator (V-102) to
remove ash at bottom stream. Stream S4 and stream S13 are fed to a Gibbs reactor (R-103) for
gasification to occur. The gasifier converts coal into syngas (primarily CO and H2) using steam
and oxygen (O2), generally at a high temperature and under high pressure (Chandel & Williams,
2009). As a result, stream GASPHASE which contains mostly of CO is produced at 1329°C and
5 bar.

8
5.2.4 Water-Gas Shift Unit (WGS)

Figure 5 Water Gas Shift Unit in Aspen Plus

Compressor which is GASPHASE as inlet stream and S14 as outlet stream is used to
increase the pressure of the stream from 5 bar to 7 bar. As the pressure increases, the
temperature also increases automatically by the software from 1,329 °C to 1,507 °C. S17 stream
is then connected to a heat exchanger to reduce the stream temperature to 250 °C. The outlet of
this heat exchanger (S15) is then connected to the gas shifting reactor. The pressure drop for this
heat exchanger was set to 0.02 bar. Fresh water at 25 °C and recycled water was fed into the
heat exchanger through the pump to increase the pressure to 9 bar. The heat exchanger heated
up the water to its boiling point level which is 100 °C to convert the phase of the water from liquid
to steam. The pressure drop for S28 to S29 was set to 0.02 bar. S15 and S29 streams were then
connected to the gas shifting reactor which is an equilibrium reactor. As the reaction occurs in
this unit is an endothermic reaction, the reactor was set to operate at 150 °C while the pressure
was set to 9 bar by regulating the parameter in the simulation process. Since it is an equilibrium
reactor, only 50% of CO component was reacted. The remaining components flowed into stream
S16 and reduced the temperature to 40 °C via heat exchanger which flowed out as stream S17.

9
5.2.5 Acid-Gas Removal Unit

Figure 6 Acid-Gas Removal Unit in Aspen Plus

Stream S17 which came from the WGS unit was at 9 bar, therefore a compressor was
placed to increase the pressure up to 49 bar and it flowed out at stream S18. The temperature
also increases up to 268 °C due to the pressure increase from the compressor. To remove the
unwanted component, a separator was used in this simulation. Stream S19 contains unwanted
components generated from the reaction such as CO2, N2, NH3, H2S, Cl2, HCL and S while the
remaining component was flowed out via stream S20.

10
5.2.6 Methanation Unit

Figure 7 Methanation Unit in Aspen Plus

Stream S20 from AGR unit connected to methanation reactor which is modelled as an
equilibrium reactor as methanation process involves equilibrium reaction. The feed stream (S20)
enters the reactor at 268 °C and 44.5 bar. The operating temperature for this reactor was set to
200 °C based on (He et al., 2015) and the conversion achieved for CO component was 99%. The
reaction between CO and H2 in this reactor produced methane and water components. More than
90% of the water component produced from the reaction flowed out to stream S21 while the others
flowed out to the top stream which is stream S22. Stream S22 was then connected to a heat
exchanger to reduce the temperature to 55 °C as the previous reaction occurs in exothermic
reaction. Outlet stream from the heat exchanger connected to a separator to increase the purity
of SNG from stream S23. The desired product separated to top stream at 2504.14kg/hr of SNG
with 99% purity while the undesired product separated to bottom stream. Since there are a lot of
water components in stream S24, it is decided to recycle the water component. Therefore, stream
S24 was connected to a separator to separate water from another component. There are 2014.74
kg/hr of water that can be recycled to feed the WGS unit.

11
5.3 Separation Process Efficiency

Separating a component from a mixture gas or liquid to achieve the desired component
with high purity is called the separation process. This process is used mainly in the chemical
industry to increase the purity of desired product by increasing the efficiency of the separator
column. Typical natural gas contains more than 95% mole of methane (DGG & Avt, n.d.). On the
other hand, this simulation achieved 99% mole of methane where it is considered more than good
enough for a synthetic natural gas composition. It can be concluded that this simulation has
achieved the objective of this process to produce synthetic natural gas. The SNG product flowed
out through stream SNG, and the undesired product flowed out in stream S27. Most of
components in stream S27 are water, therefore it is then recycled to WGS process. However,
some of the undesired components in small volume will be released to the atmosphere or will be
sent to the treatment plant.

5.4 Fluid Flow Principle

All the equipment is generally do not cause severe processing difficulties. As for the
significant temperature rise, this is due to limitation in providing the same catalyst as proposed in
the process design. As such, the exothermic reaction undergoes completely without the aid of
catalyst. The activation energy is then not reduced, thus higher temperature rise occurs. A catalyst
is a substance that speeds up a chemical reaction, or lowers the temperature or pressure needed
to start one, without itself being consumed during the reaction.

The higher temperature rise is counter by placing in cooler or heat exchanger so that the
temperature is reduce to the desired value. The inlet stream of each equipment is designed to
have a higher-pressure value as compared to the outlet stream of the respective equipment since
the flow between the units is governed by the pressure difference between them. In addition, this
is to ensure the fluid will flow and no backflow happens at the stream or equipment. Therefore, a
compressor or a pump is used to increase the pressure of the streams before they reach the
major equipment

12
5.5 PFD and Material Streams Generated from The Simulation

Figure 8 Process Flow Diagram of SNG Production from Aspen Plus

13
Material Streams Generated from Aspen Plus

Stream 1 2 H20 DRYCOAL 3 4 ASH GASPHASE 14

Temperature
25 100 100 100 645 645 645 1328.64 1507.46
(0C)
Pressure
1 1 1 1 1 1 1 5 9
(bar)
Component Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass
Flow, Flow, Flow,kg/hr Flow, Flow, Flow, Flow, Flow, Flow,
Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction
kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr

COAL 10700 1 8661.65 0.81 - - 8661.65 1 - - - - - - - - - -

H2 - - - - - - - - 424.42 0.052 424.42 0.052 - - 351.21 0.023 351.21 0.023

CH4 0.17 1.11252E- 0.17 1.11252E-

- - - - - - - - - - - - - -
05 05
C2H4 - - - - - - - - - - - - - - 0.012 1.216E-09 0.012 1.216E-09

C2H6 - - - - - - - - - - - - - - 0.0009 6.641E-12 0.0009 6.641E-12

CO - - - - - - - - - - - - - - 13364.08 0.877 13364.088. 0.877

660.066 0.0433 660.066 0.0433
CO2 - - - - - - - - - - - - - -
O2 - - - - - - - - 1505.39 0.18 1505.39 0.18 - - 0.00023 1.207E-13 0.00023 1.207E-13
N2 - - - - - - - - 137.72 0.016 137.72 0.016 - - 137.69 0.00904 137.69 0.00904

H2O - - 2038.37 0.19 2038.37 1 - - - - - - - - 293.50 0.0192 293.5 0.0192

- 0.029 1.904E-06 0.029 1.904E-06
NH3 - - - - - - - - - - - - -
CL2 0.00032 0.00032 0.00015 2.2299E- 0.00015 2.2299E-
- - - - - - - - 2.60 2.60 - -
14 14
HCL - - - - - - - - - - - - - - 2.67 0.000175 2.672 0.000175

ASH - - - - - - - - 563.007 0.065 - - 563.007 1 - - - -

S - - - - - - - - 117.80 0.013 117.80 0.014 - - - - - -

C - - - - - - - - 5910.71 0.68 5910.71 0.73 - - - - - -

STEAM - - - - - - - - - - - - - - 293.50 0.0192 293.5 0.0192

H2S - - - - - - - - - - - - - - 125.20 0.00822 125.20 0.00822

AR - - - - - - - - - - - - - - 0.65 4.304E-05 0.655 4.304E-05

Total
10700 1 10700 1 2038.37 1 8661.65 1 8661.65 767.50 8098.64 1 563.007 1 15228.50 1 15228.50 1

14
Stream 5 6 7 8 9 10 11 12 13
Temperature
25 279 -161 -175 -164 -195 -183 30 265
(0C)
Pressure
1 5.7 5.6 5 5.2 1.2 1.3 1 5
(bar)
Component Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mas Mass Mass Mass
Flow, Flow, Flow,kg/hr Flow,kg/hr Flow,kg/hr Flow, Flow, s Flow,
Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction
kg/hr kg/hr kg/hr kg/hr Flow kg/hr
,
kg/hr

COAL - - - - - - - - - - - - - - - - - -
H2 - - - - - - - - - - - - - - - - - -
CH4 - - - - - - - - - - - - - - - - - -
C2H4 - - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO - - - - - - - - - - - - - - - - - -
CO2 - - - - - - - - - - - - - - - - - -
O2 7486.50 0.21 7486.50 0.21 7486.50 0.21 4087.42 0.12 3399.07 0.95 357.15 0.012 7129.34 0.9999 7129.34 0.9999 7129.34 0.9999
N2 0.78 0.78 0.78 0.86 0.028 0.97 5.5124E- 5.5124E- 5.5124E-
27807 27807 27807 27706.53 100.47 27807 0.0097 0.0097 0.0097
10 10 10
H2O - - - - - - - - - - - - - - - - - -

NH3 - - - - - - - - - - - - - - - - - -

CL2 - - - - - - - - - - - - - - - - - -

HCL - - - - - - - - - - - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -
C - - - - - - - - - - - - - - - - - -
STEAM - - - - - - - - - - - - - - - - - -
H2S - - - - - - - - - - - - - - - - - -
AR 0.01 0.01 0.01 0.00907 0.018 0.012 9.1943E- 9.1943E- 9.1943E-
356.50 356.50 356.50 291.04 65.45 355.84 0.65 0.65 0.655
05 05 05
Total
35650 1 35650 1 35650 1 32085 1 3565 1 28520 1 7130 1 7130 1 7130 1

15
Stream 15 16 17 18 19 20 21 22 23
Temperature
250 150 40 268.448 268.448 268 200 200 55
(0C)
Pressure
8.98 9 8.98 45 44 44.5 43.5 43 42.8
(bar)
Component Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass
Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow,
Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction
kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr

COAL - - - - - - - - - - - - - - - - - -
H2 351.21 0.023 973.33 0.048 973.33 0.04808 973.33 0.048 - - 973.38 0.17 0.03 6.38E-08 0.64 0.00012 0.644 0.00012

CH4 0.17 1.11252 0.17 8.369E- 0.17 8.369E- 0.17 8.369E- - - 0.17 2.95E-05 0.70 0.00096 2610.47 0.52 2610.47 0.52
E-05 06 06 06
C2H4 0.012 1.216E- 0.012 9.151E- 0.012 9.151E- 0.012 9.151E- 0.012 1.277E-09 - - - - - - - -
09 10 10 10
C2H6 0.0009 6.641E- 0.0009 4.996E- 0.0009 4.996E- 0.0009 4.996E- 0.0009 6.971E-12 - - - - - - - -
12 12 12 12
CO 13364.087 0.87 4719.76 0.233 4719.76 0.233 4719.76 0.233 - - 4719.76 0.822 0.0012 1.908E-10 0.0022 4.439E- 0.0022 4.439E-
07 07
660.066 0.043 14241.98 0.703 14241.98 0.703 14241.98 0.703 14241.9 0.981 - - 0.15 0.000204 252.77 0.050 252.77 0.050
CO2 8
O2 0.00023 1.207E- 0.00023 9.084E- 0.00023 9.084E- 0.00023 9.084E- - - 0.00023 3.206E-13 1.33 8.103E-16 0.00023 3.673E- 0.00023 3.673E-
13 14 14 14 13 13
N2 137.69 0.0090 137.69 0.0068 137.69 0.0068 137.69 0.0068 137.69 0.0094 - - - - - - - -

H2O 293.5 0.019 21.208 0.00104 21.208 0.00104 21.208 0.00104 - - 21.208 0.0037 724.90 0.99 2124.81 0.42 2124.81 0.42
0.029 1.904E- 0.029 1.432E- 0.029 1.432E- 0.029 1.432E- 0.029 1.999E-06 - - - - - - - -
NH3 06 06 06 06
CL2 0.00015 2.2299 0.00015 1.676E- 0.00015 1.676E- 0.00015 1.676E- 0.00015 2.339E-14 - - - - - - -
-
E-14 14 14 14
HCL 2.67 0.00017 2.67 0.00013 2.67 0.00013 2.67 0.00013 2.67 0.00018 - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -

C - - - - - - - - - - - - - - - - - -
STEAM 293.50 0.019 21.208 0.001 21.208 0.001 21.208 0.001 - - 21.208 0.0037 5.39 0.0073 15.81 0.0031 15.81 0.0031

H2S 125.20 0.0082 125.20 0.0062 125.20 0.0062 125.20 0.0062 125.20 0.008 - - - - - - - -

AR 0.65 4.304E- 0.65 3.23E- 0.65 3.23E-05 0.65 3.23E-05 0.65 4.518E-05 - - - - - - - -
05 05
Total 20243.9
5735.68 1 731.15 1
15228.50 1 20243.92 1 1 20243.92 1 14508.24 1 5004.53 1 5004.53 1
2

16
Stream SNG 24 25 RECYCLE 26 WATER 27 28 29
Temperature
55 55 55 55 56 25 37 38 100
(0C)
Pressure
42 42.5 42 42.3 1 1 1 9 8.98
(bar)
Component Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass Mass
Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow, Flow,
Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction Fraction
kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr kg/hr

COAL - - - - - - - - - - - - - - - - - -
H2 0.644 0.00025 0.0013 - - - - - - - - - -
- - 0.644 - -

CH4 2494.30 0.997 116.16 0.046 116.61 0.238 - - - - - - - - - - - -

C2H4 - - - - - - - - - - - - - - - - -
C2H6 - - - - - - - - - - - - - - - - - -
CO 0.001 0.001 4.43E-07 2.27E-06
0.001 - -
4.44E-07 - - - - - - - - - -

3.38 249.39 0.0996 0.51

CO2 249.39 - - - - - - - - - - - -
0.00135

3.67E-13 1.46E-16 0.00023 7.344E-13 3.76E-12

0.00023 - -
O2 - - - - - - - - - -
N2 - - - - - - - - - - - - - - - - - -
H2O 4.03 0.0016 2120.77 0.847 0.217 1
106.038 2014.74 1 2014.74 1 3000 5014.74 1 5014.74 1 5014.74 1

NH3 - - - - - - - - - - - - - - - - - -

CL2 - - - - - - - - - - - - - - - - - -

HCL - - - - - - - - - - - - - - - - - -
ASH - - - - - - - - - - - - - - - - - -
S - - - - - - - - - - - - - - - - - -
C - - - - - - - - - - - - - - - - - -
STEAM 15.81 0.0063 15.81 0.0324 - -
- - - - - - - - - - - -
H2S - - - - - - - - - - - - - - - - - -
AR - - - - - - - - - - - - - - - - - -
Total 2501.74 1 2502.79 1 488.055 1 2014.74 1 2014.74 1 3000 1 5014.74 1 5014.74 1 5014.74 1

17
5.6 Conclusion

In this simulation, Aspen Plus was chosen as it can process a non-conventional solid which
is coal. Since the majority of the process's components are gases or non-polar, the Peng-
Robinson fluid package was selected for this simulation. The process involved in the simulation
are air separation, coal drying, coal gasification, water gas shift, acid gas removal and
methanation. This simulation achieved 99% mole of methane in the end of the process, which is
deemed to be above and beyond what is required for a synthetic natural gas (SNG) composition.
Therefore, it can be concluded that the process simulation for the production of SNG was
successful.

18
References

Aspen Plus | Leading Process Simulation Software | AspenTech. (n.d.). Retrieved January 20,
2023, from [Link]
Chandel, M., & Williams, E. (2009). Synthetic Natural Gas (SNG): Technology, Environmental
Implications, and Economics.
DGG, & Avt. (2014). NATURAL GAS SPECS SHEET. 2004.
Eisa, F. (2014). Simulation of SNG Production Through Catalytic Gasification of Biomass.
He, Z., Wang, • Xiaolong, Gao, S., & Xiao, T. (2015). Effect of reaction variables on CO
methanation process over NiO–La2O3–MgO/Al2O3 catalyst for coal to synthetic natural
gas. Applied Petrochemical Research 2015 5:4, 5(4), 413–417.
[Link]
Jorge, W. (2020). How to Dry Coal. 911 Metallurgist.
Liu, Y., Qian, Y., Zhou, H., Xiao, H., & Yang, S. (2017). Conceptual design of the coal to
synthetic natural gas (SNG) process based on BGL gasifier: Modeling and techno-
economic analysis. Energy and Fuels, 31(1), 1023–1034.
[Link]
Omer, Q., Mukhtar, A., Shafiq, U., Safdar, F., & Iqbal, C. (2017). Simulation Study for Energy
Minimization and Performance Enhancement Using Cryogenic Plate and Packed Bed
Column Networks for Air Separation. Austin Publishing Group.
Park, I., & Scott, W. (2020). Optimization of an Air Separation Unit (ASU) using Aspen Plus.
Zheng, L., & Furimsky, E. (2003). ASPEN simulation of cogeneration plants. Energy Conversion
and Management, 44(11), 1845–1851. [Link]

19
 APPENDIX

Aspen Plus simulation file can be access through this link:

[Link]
0ZH7gAzTZyaeDL8OusGLMs1rvX6/view?usp=sharing

20