Process Design Development

Flowsheeting
Development of Design Database
Literature Search and Design Information
• To develop effective and profitable process designs, engineers must conduct thorough research
to gather essential information. This involves exploring various resources to obtain the latest
data, process flowsheets, equipment specifications, and simulation models.
• Key Information Sources:
ü Literature Databases: Platforms like Chemical Abstracts provide comprehensive access to
scientific research and articles related to chemical engineering.
ü Handbooks and Reference Books: Comprehensive resources such as Perry's Chemical
Engineers' Handbook offer fundamental principles, design guidelines, and equipment data.
ü Design Reports: Detailed process documentation from organizations like SRI can provide
valuable insights into specific chemical processes.
ü Process Simulators: Software tools like ASPEN PLUS, CHEM CAD, and PRO-II offer extensive
databases of compounds and enable simulation of process conditions, equipment sizing, and
energy balances.
Information Sources for Chemical Process Design
• To effectively design chemical processes, engineers rely on a variety of information sources.
These resources provide essential data on chemical properties, process parameters, economic
factors, and intellectual property.
• Key Information Sources
ü Chemical Properties and Safety: Databases like the Toxic Chemical Release Inventory (TCRI)
and handbooks such as Sittig's provide crucial information on chemical hazards and properties.
Flammability data can often be found in engineering handbooks like Perry's Chemical Engineers'
Handbook.
ü Process Information: Design reports from organizations like SRI offer detailed process
flowsheets and operational data for various chemical processes.
ü Economic Data: Chemical market reports, such as those provided by Chemical Market Reporter,
supply real-time pricing information for chemicals and utilities.
ü Physical Property Estimation: Numerous publications offer methods for estimating physical
properties when experimental data is unavailable.
ü Patent Information: Patent databases are essential for understanding the intellectual property
landscape and avoiding infringement while potentially identifying opportunities for process
improvement.
Process Creation
• New process creation involves the synthesis of various configurations of
processing operations that will produce a product in a reliable, safe, and
economical manner with a high yield and minimum by-product or waste.
• In the process of synthesizing a flowsheet of process operations to convert raw
materials to desired products, the design engineer first must select the
üprocessing mode: either batch or continuous.
üraw materials,
üproducts, and
üby-products
üa review of the principal operations required to achieve the desired product and
ü assembling different configurations of these process operations
Operation mode: Batch Versus Continuous Operation

• Continuous processing is the preferred mode of operation used in the production of

commodity chemicals, petroleum products, plastics, paper, solvents, etc., because of
reduced labor costs, improved process control, and more uniform product quality.
• However, batch and semicontinuous processes are often utilized when production rates are
small, such as in the manufacture of specialty chemicals, pharmaceuticals, and electronic
materials, or when the product demand is intermittent.
• The choice between continuous or batch as well as semicontinuous processing is commonly
made very early in the process synthesis step.
• Normally, continuous processing is assumed unless a qualitative analysis indicates that
batch or semicontinuous processing provides a better mode of operation.
• In the case of low or intermittent demand, the design engineer may opt for batch and
semicontinuous operation when the process involves hazardous or toxic chemicals or when
safety of the process is a major concern
Raw Materials and Product Specifications

• Once the operational mode is determined, the design engineer should establish a
number of specifications that can define the state condition of the raw material and
product.
• Generally, the flow rate required for the product, as established by a market
analysis, is of primary interest. This will have a direct effect on the flow rate of the
raw material(s).
• After the flow rates have been established, the composition (mol or mass fraction
of each chemical species), phase (liquid, gas, or solid), form (particle size
distribution and particle size), temperatures, and pressures of each raw material
and product stream are established as well.
• Although other specifications may be required, the specifications listed are usually
sufficient to establish the condition of both the raw material and the product
streams.
Process design
1. Technical factors 2. Raw materials
a. Process flexibility a. Present and future availability
b. Continuous, semicontinuous, or batch b. Processing required
operation c. Storage requirements
d. Materials
c. Special controls involved
d. Commercial yields 3. Waste products and by-products
e. Technical difficulties involved a. Amount produced
b. Value
f. Energy requirements c. Potential markets and uses
g. Special auxiliaries required d. Manner of discard
h. Possibility of future developments e. Environmental aspects
i. Health and safety hazards involved
 Process design 6. Costs
a. Raw materials
4. Equipment b. Energy
a. Availability c. Depreciation
d. Processing and overhead
b. Materials of construction
f. Special labour requirements
c. Initial costs g. Real estate
d. Maintenance and installation costs h. Patent rights
e. Replacement requirements i. Environmental controls
f. Special designs
7. Time factor
5. Plant location a. Project completion deadline
a. Amount of land required b. Process development required
b. Transportation facilities c. Market timeliness
d. Value of money
c. Proximity to markets and raw material
sources
8. Process considerations
d. Availability of service and power facilities a. Technology availability
e. Availability of labor b. Raw materials common with other processes
f. Climate c. Consistency of product within company
g. Legal restrictions and taxes d. General company objectives
 Process Flow diagrams
• Flow diagrams used to show the sequence of equipment and unit operations involved in the
overall process, principally to simplify visualization of the manufacturing procedures and
indicate the quantities of materials and energy that were transferred.
• These diagrams were generally identified as qualitative, quantitative, or combined-detail.
• A qualitative flow diagram indicated the flow of material, unit operations involved, equipment
necessary, and special information on operating temperatures and pressures.
• A quantitative flow diagram showed the quantities of materials required for the process
operation.
• Preliminary flow diagrams were made during the early stages of the design project.
• As the design moved toward completion, detailed information on flow quantities and
equipment specifications became available, and combined detail flow diagrams were
prepared.
• This type of diagram showed the qualitative flow pattern and served as a base reference for
providing equipment specifications, quantitative data, and sample calculations.
Flow diagram/ Flowsheet
• The most effective way of communicating information about a process is
using flow diagrams
• Typical flow diagrams are:
üBlock flow diagram (BFD)
üProcess flow diagram (PFD)
üPiping and instrumentation Diagram (P&ID)
(Major difference is an increase in conceptual understanding as well as complexity of the
diagrams)
• Other common diagrams are:
üPlot Plan
üPiping Isometrics
üTechno-economic analysis diagram
Block flow diagram (BFD)
• BFD incorporates very few
process details like throughput,
major equipment and flow
direction
• Operations are shown by blocks
• Major flow lines are indicated with
arrows giving the direction of flow
• Flow goes from left to right
wherever possible
• Light streams (like gases) toward
the top with heavy stream (liquids
and solids) toward the bottom
• If lines cross, then the horizontal
line is continuous and the vertical
line is broken
Process flow diagram (PFD)
• PFD is the most important and used diagram to describe with an
adequate level of detail of the process
• There is no universal accepted nomenclature. In general, a PFD Topology of
contains the following information: the process
1. The important equipment is shown together with a unique
number and a descriptive name
2. All process flow streams will be shown and identified by a
number Information on
the streams
3. Description of the process conditions and chemical
compositions of each stream will be included
4. These data will be either displayed directly on the PFD or
included in an accompanying flow summary table
Information on
5. All utility streams supplied to major equipment that provides a equipment
process function will be shown
6. Basic control loops, illustrating the control strategy used to
operate the process during normal operations.
Importance of Process flow diagram

• A process flow diagram represents the most important information used to

understand the overall cost and value of the process

• PFD provide enough information to determine if the project should go to the next
stage of detailed design

• Process flow diagrams can also be used to quickly compare different processes
making the same product or different processes making different products

• Through side-by side comparisons, we can determine which processes are

profitable and, more easily see their advantages and disadvantages
Process flow
diagram for
production of
antibiotic
(bacitracin)
Pilot plant recovery
of levo-2,3-
butanediol from
whole wheat mashes
fermented by
Aerobacilluspolymyxa
, Can.J. Res.26F, 469-
496.)
 Piping and Instrumentation Diagram
• The piping and instrumentation diagram (P&ID) , also known as Mechanical flow
diagram (MFD), provides information needed by engineers to begin planning for
the plant’s construction
• P&ID includes every mechanical aspect of the plant except:
- Operating T,P
- Stream flows
- Equipment location
- Pipe Routing
o Pipe length
o Pipe fittings

- Supports, Structures and foundations

Piping and Instrumentation Diagram
• The P&ID presented provides information on the piping, and this is included as part of
the diagram
• Each pipe can be numbered, and every line’s specifics can be provided in separate
table accompanying this diagram
• When possible, the large-sized unit operation’s physical size is reflected by the size of
the symbol in the diagram
• Utility connections are identified by a numbered box in the P&ID. The number within the
box identifies the specific utility.
• All process information that can be measured in the plant is shown on the P&ID by
circular flags. This includes the information to be recorded and used in process control
loops.
• The circular flags on the diagram indicate where the information is obtained in the
process . It identifies the measurement’s taken and how the information is dealt with
Detailed equipment diagram for pilot-plant fermentation system. (LH Engineering Ltd, a member of the Inceltech Group of companies
 Piping and Instrumentation Diagram
• Based on the P&ID diagram:

- Mechanical engineers and civil engineers will design and install pieces of equipment

- Instrument engineers will develop plant layout and elevation drawings

- Project engineers will develop plant and construction schedules

- Before final acceptance, the P&IDs serve as a checklist against which item in the plant
is checked

• The P&ID is also used to train operators, once the plant is built and is operational

• The P&ID is particularly important for developing start-up procedures when the plant is
not under the influence of installed process control systems
Plot plan design
• Plot plan helps in
positioning of all
equipment considering
safety standards and
considering spaces
required for mechanical
maintenance
Piping Isometrics

• Piping isometrics provide

all the bends, flanges,
vents, drains on the
respective piping
Techno-Economic Analysis Diagram
• TEA analysis is the advanced diagram that
includes
- Process CAPEX
- Cost of utilities
- Operational and maintenance cost
- Payout period

TCI– Total Capital investment

ROI- Return on investment
PBP- Payback period
IRR- Internal rate of return
Flowsheet synthesis and development
• The preparation of a flowsheet encompasses the steps of synthesis, development,
evaluation, and selection of the most appropriate processing arrangement of a chemical
process

• It is one of the most important steps in the design of a chemical plant, because only
from the most optimal flowsheet can the most profitable, safe, and environmentally
sound final design be obtained

• Two design procedures for flowsheet synthesis and design:

1. Hierarchical methods : based on heuristic rules derived from past experience
2. Algorithmic methods: utilizes mathematical programming procedures that include
optimization techniques.

• The hierarchical approach has been used in flowsheet development of more routine
chemical processes and not in more complex chemical processes.
Procedure for Hierarchical method
Process Information
• Given a product that is to be manufactured, conduct a search of the technical and patent
literature for information about the product.
• Study market conditions and the pricing of the product.
• Key property data are obtained from the literature or must be estimated.
• For a new product, there presumably may be laboratory and perhaps pilot-plant data plus a
market evaluation.
Input/Output Diagram
• Examine all potential chemical reaction paths, and do a preliminary economic analysis of each
path.
• Eliminate those for which the value of the raw materials exceeds that of the products and those
which appear infeasible for other reasons.
• For the rest, construct an input/output (I/O) diagram, showing all major material input and output
streams with a stoichiometric balance
Functions Diagram:
• For each particular chemical reaction path, indicate all the major functions of the process and
the material flows to and from these functions.
• There is a reaction box for each reaction that must be carried out separately from the rest of
the process.
• For each raw material input, determine, if possible, whether preprocessing is needed to meet
process requirements.
• When it is needed, or if it is uncertain, show a preprocessing box
• Each reactor output stream enters a separation box that produces a recycle to the reactor,
intermediate streams to the next reaction step or steps, and possibly products to the finishing
steps.
• A finishing box represents converting each final product to its final form.
• Heat flows are suggested by the symbol Q into or out of each reactor, and into and out of each
preprocessing, separation, and finishing step, to serve as reminders to examine the heating,
cooling, and other energy requirements of each processing step
Operations Diagram
• In this step the technology to be used to accomplish each of the operations is selected.
• Preprocessing technologies are chosen to accomplish the temperature change, phase change, or purification
needed like choice of plug flow or continuous stirred tank reactors
• Ranges of temperature, pressure, reactant conversion, and product selectivity are estimated.
• Each purification and separation is examined to determine whether phase separation, stripping, distillation,
membrane separation, extraction, or some other technology should be used. Similarly, the technologies
needed for finishing are selected.
Flowsheet
Selection of optimized process and elimination of other operations
Base-Case Design and Optimization
• The preceding method usually results in several candidate flowsheets that individually must be evaluated
• To do so requires that detailed mass and energy balances be prepared for each flowsheet. Which gives key
design parameters of the process equipment, such as reactor volumes and heat loads, can be calculated.
• Such design information provides a base-case design for each flowsheet.
• Each base-case design is reviewed to determine whether it can meet product specifications, environmental
requirements, health and safety needs and economic feasibility
• With these reviews and evaluations, it may be possible to eliminate some of the flowsheets because process
or economic requirements are not met.
Development stages for Alkyl benzene sulfonate (ABS) production

Input/Output diagram

Functions diagram
Operations diagram
Final flow sheet
Process Design Approaches
• There are three primary strategies for developing a new chemical process:
[Link] an Existing Design: Utilizing a complete, proven design as a starting point.
[Link] an Existing Design: Adapting an existing process to suit specific requirements.
[Link] a Novel Design: Developing a completely new process to meet unique specifications.
Information Sources:
Regardless of the chosen approach, thorough research is essential. Key information sources
include:
ØGeneral References: Textbooks, encyclopedias, and handbooks provide foundational
knowledge and overviews of chemical engineering principles and processes.
ØSpecialized Literature: Journals, patents, and conference proceedings offer detailed
information on specific processes, technologies, and research advancements.
ØCommercial Databases: Online databases provide access to a vast amount of technical
information, including chemical properties, process data, and market trends.
ØExpert Consultation: Seeking advice from experienced engineers can provide valuable insights
and alternative perspectives.
Data Requirements
• Once potential processes have been identified, detailed information is needed to
evaluate their feasibility and performance.
• Critical data includes:
üReaction Kinetics: Understanding how reaction rates vary with temperature,
pressure, and reactant concentrations.
üThermodynamic Data: Enthalpy, entropy, and equilibrium constants for reactions
and phase equilibria.
üPhysical Properties: Density, viscosity, heat capacity, and other properties of
materials involved in the process.
üEquipment and Cost Data: Information on equipment sizes, materials of
construction, and cost estimates.
üMarket Information: Prices of raw materials, products, and utilities.
• By systematically gathering and analysing this information, engineers can make
informed decisions during the process design phase.
Molecular Path Synthesis - Designing New Molecules:
• Creating novel molecules requires a systematic and strategic approach. The process involves
identifying the target molecule, understanding its structure, and then devising a synthetic pathway to
build it.
• Understanding the Target Molecule:
o Functional Groups: Identifying the key functional groups within the molecule is crucial. These groups
dictate the potential reactions and building blocks required for synthesis.
o Molecular Structure: Analysing the molecule's structure helps determine the complexity of the
synthesis and potential challenges.
• Developing a Synthetic Pathway:
o Retrosynthesis: Working backward from the target molecule, chemists break down the structure into
simpler intermediates.
o Reaction Selection: Choosing appropriate chemical reactions to convert starting materials into desired
intermediates and the final product.
o Reaction Sequence: Arranging reactions in a logical order to maximize yield and minimize side
products.
o Feasibility Assessment: Considering factors like reaction conditions, reagent availability, and cost-
effectiveness.
Challenges in Molecular Synthesis:
Ø Complexity: Large molecules with multiple functional groups often present significant synthetic
challenges.
Ø Yield: Maximizing product yield while minimizing waste is essential.
Ø Stereochemistry: Controlling the spatial arrangement of atoms can be complex, especially for
chiral molecules.
Ø Reaction Conditions: Optimizing reaction conditions (temperature, pressure, solvent) to achieve
desired product formation.

Key Considerations:
ü Raw Material Availability: Selecting readily available and cost-effective starting materials.
ü Reaction Efficiency: Choosing reactions with high yields and minimal side products.
ü Process Economics: Considering the overall cost of the synthesis process, including labor, energy,
and waste disposal.
ü Safety: Prioritizing safety throughout the synthesis process.

• By following these steps and carefully considering the challenges involved, chemists can design
efficient and practical synthetic routes for new molecules.
Selecting a Process Pathway
• If a commercial chemical process exists for the desired product, it may be utilized.
• If patent rights cover the process and are available for licensing, then the cost of
using this process must be compared with the cost of a different process not
covered by patents or the development of a new process.
• To develop a new process usually is expensive and time-consuming, but potentially
it may provide a competitive advantage.
• Using nonprotected aspects of the known technology may reduce the cost and
time.
• However, for a new product, research and development generally must be
performed.
• The ultimate decision is based largely on economic comparisons.
Production Mode
• A key criterion in designing a chemical process is the production mode.
• The choices are batch, continuous, or combinations of the two modes.
• Continuous processes result in relatively high production rates per unit of equipment
size, consistent product quality, and relatively constant operating conditions and
requirements.
• Batch operation may result in less consistent product quality, lower average production
rates per unit of equipment size, and variable operating conditions and requirements.
• Moreover, labor requirements are usually much less than for batch operation.
• Batch operation does provide for greater flexibility of operating schedule, opportunity to
use the same equipment for different products, and product identification and
characterization by batch.
• Combination modes can offer many of the advantages and disadvantages of both
continuous and batch modes
• Some rules of thumb for the selection of batch processing are as follows:
1. Usually when the production rate is less than 5 x 105 kg/yr.
2. If heavy fouling is expected.
3. For biological processes.
4. For pharmaceutical processes.
5. Short, 1 to 2-yr, product life spans.
6. When product value far exceeds total product cost

Recording Decisions
• The branching nature that occurs in flowsheet development requires that at each branch
point a decision be made to determine the path to be followed in the process.
• Some of these decisions are based upon clear and unambiguous criteria and need not be
revisited.
• Other decisions, however, may be more or less arbitrary at the time they are made and
eventually need to be revisited to investigate the implications of pursuing the alternate
decision.
• One way of doing this is to keep a list of decision points that need to be re-examined
Example :Develop information on potential reaction pathways and physical and
operational properties involved in the production of vinyl chloride (C2H3CI)

• Vinyl chloride is a major chemical, which essentially serves as the monomer for making
polyvinyl chloride (PVC)
• Vinyl chloride monomer and nearly all the materials used and coproduced in its production are
flammable and toxic.
• This requires strict limitations on emissions from such plants and on the concentrations within
the plant working areas. Plant design must allow for control of these substances.
• The chlorinated species, hydrogen chloride in particular, are corrosive at higher temperatures,
especially in the presence of water. Feed and hydrogen chloride streams must be very dry, less
than 10 ppm of water.
• Equipment at elevated temperatures must use corrosion-resistant alloys, such as Inconel,
Hastelloy B, or nickel cladding, which greatly increases equipment costs, and although
selection of materials of construction comes later in the design, it should be borne in mind when
making decisions about process conditions.

Ref: M.S Peters

 Five potential reaction pathways to vinyl chloride from
two possible organic raw materials were identified in
the literature:

• The purpose of an investment in a chemical process

is to produce a product and derive a profit.
• The raw materials typically represent a substantial
fraction of the total cost of producing a product.
• If the value of the products does not exceed the value
of the raw materials, the process cannot be
economical.
• However, if the reverse is true, only further analysis
can find whether the process is truly economical.
• Any reaction path for which this is not true can be
eliminated from further consideration.
• Examination of the value of inputs relative to outputs
is therefore an important screening tool.
Input –Output structure : Product and Raw Material Values for the Vinyl Chloride
Paths

Vinyl chloride reaction path comparisons using Jan 2002 prices

• Reaction path 1 is not economical because of the high price of acetylene and can therefore be eliminated.
• Reaction paths 2 and 3 give the same result because the net reaction is the same in both cases
• The literature makes it clear, however, that when chlorine and ethylene react, the product is almost entirely
EDC and not vinyl chloride. Thus, reaction path 3 is chemically feasible, but reaction path 2 is not and can also
be eliminated.
Chemical cost trends for vinyl chloride production process raw materials and
products
 Vinyl chloride reaction path comparisons using long-term average prices

• The results show that reaction path 4 shows essentially zero excess value of products over reactants and can
therefore be eliminated from further consideration
• Path 3 shows a larger excess than does path 5, but without the sale of the by-product HCl, path 3 shows a
negative excess.
• The choice between paths 3 and 5, then, depends on the market potential for the by-product HCl.
• In case less market potential, it is advisable for the purpose of the preliminary economic analysis to assign a zero
value to HCI as a saleable by-product.
• When this is done, the result for reaction path 3 is negative. Only reaction path 5 remains with a positive excess
value of products over reactants, so it becomes the choice for further analysis
 Input/Output Diagram for vinyl chloride production

Arrows into and out of the box show the raw material inputs and product outputs on the basis of 2 mols of vinyl chloride
product
Functions Diagram
Based upon reaction path 5, develop a function diagram for the
vinyl chloride process
• Preprocessing
• Reactions: The three principal reactions of the path require distinctly different
conditions, so each must be conducted in a separate reactor.
1. direct chlorination,
2. oxychlorination, and
3. pyrolysis
• Recycle
• By-products, Intermediates, and Wastes
• Separations
Functions Diagram
Operations diagram

• Preprocessing

• Reactors

• Separation methods

• Heating and cooling requirements

Preprocessing
• The state and composition of feed streams may not meet the needs of the chemical
reactions in a process. When this is so, the feed streams must be processed so as to
meet those requirements.
• Here are some guidelines (sometimes referred to as rules of thumb, or heuristics) for
preprocessing:
1. Raw material feeds may need to be heated or cooled or may undergo a change in
phase before being fed to a process.
2. Unless the effects of feed impurities on process operations are known to be negligible,
they should be removed to an acceptable level.
3. Impurities that are known to be catalyst poisons should be removed as completely as
possible.
4. If a raw material stream contains final products or by-products, it may be useful to feed
that stream to the separation box where these products or by-products are recovered.
5. If a feed impurity is present in a quantity large enough to affect the economics of the
process, remove it from the feed.
6. Inert components of feeds that are necessary for the process, or are difficult to
remove, should not be removed.
Separation guidelines:
• Use distillation if the relative volatility of
key components is greater than 1.2
• Favor known techniques, such as
distillation, extraction and filtration
• Avoid introducing foreign species; but if
they are used, remove them immediately
after use
• Favor energy over mass separation
technologies
Operations diagram
Flowsheet for vinyl
chloride production
Algorithmic flowsheet generation
• Algorithmic flowsheet generation is a computational approach to automatically designing process
flowsheets based on specified design objectives and constraints.
• It involves the application of mathematical algorithms and optimization techniques to explore a vast
design space and identify optimal process configurations.
• Key Components of Algorithmic Flowsheet Generation
[Link] Representation:
1. Unit Operations: A library of standardized unit operations (e.g., reactors, separators, heat
exchangers) with associated models and parameters.
2. Process Streams: Definition of material and energy streams connecting unit operations.
[Link] Specifications:
1. Product Specifications: Desired product properties and quantities.
2. Feedstock Information: Properties and availability of input materials.
3. Process Constraints: Operational limits, environmental regulations, and economic factors.
 Algorithmic flowsheet generation
3. Optimization Algorithms:
• Mathematical Models: Formulation of mathematical models to represent process performance,
energy consumption, and cost
• Optimization Techniques: Application of optimization algorithms (e.g., linear programming,
nonlinear programming, genetic algorithms) to find optimal process configurations.

4. Flowsheet Synthesis:
• Topology Generation: Creation of different process structures (series, parallel, recycle) based on
design specifications and available unit operations.
• Parameter Estimation: Determination of optimal operating conditions for each unit operation.
• Flowsheet Simulation: Evaluation of process performance using process simulators.
Hierarchical vs. Algorithmic Flowsheet Generation

Hierarchical Flowsheet Generation

o Top-down approach: Breaks down the overall process into smaller subprocesses,
which are further divided into unit operations.
o Human-centric: Requires significant human expertise and intuition.
o Flexibility: Allows for incorporating expert knowledge and design preferences.
o Limitations: Can be time-consuming and prone to suboptimal solutions due to human
bias.
• Algorithmic Flowsheet Generation
o Bottom-up or combinatorial approach: Builds flowsheets by combining unit operations
from a library.
o Computer-based: Utilizes mathematical optimization and computational algorithms.
o Efficiency: Can explore a vast design space rapidly.
o Limitations: Requires accurate process models and can be computationally intensive
for complex problems.