Process Engineering & Economics

Course code: CL 306

L-T-P-Credit: 2-2-0-6
Semester: Winter 2023-24
Course Open for: B.Tech 3rd Year (2021-25)

Sumit Kumar, PhD

311, Chemical Engineering
IIT Guwahati
Email: S_kumar@iit.ac.in;
Office Phone: +91361 258 2275

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Process Engineering

Process Design vs Plant Design vs process engineering vs

Process Plant Design ?
Chemical Engineers are often known as process engineers in professional life.

Process plants are made of concrete and steel, wires and pipes, tanks and pumps. Processes happen
in them.
Plant design is about the hardware which actually does processes, like the chip or circuit board
which runs the electronics.

Process design is to design the process diagrams  how the process will take place, how the
plant will look, prepared piping and instrumentation diagrams, heat and mass balances, process
flow diagrams (PFD), list of equipment such as reactor, separator and different type of valves,
pumps etc. to make the plant fully functional.

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 Process Engineering

Chemical Engineers
Mechanical Engineer
Civil Engineer
Structural Engineers
Chemical Engineer’s scheme Control Engineers

Process design Plant design and operation

• Process design is focused on the design of the process itself

• Plant design is the designing of the entire
including flow rates, P&T, sizing and construction of the
facility including the building, utilities,
process equipment and piping, energy input requirements, etc.
placement of the process machinery, etc. (on
 Process Flowsheets design
ground)
• The physical and chemical operations, operating conditions
• Includes plant layout, plant location, other
such as duties, major specifications, construction materials,
plant service facilities
arrangement of equipment, line sizes, and principal
instrumentation.
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Process Engineer

• Chemical Engineers are often known as process engineers in professional life.

• Chemical engineers have to Develop, design and operate an industrial project where useful products will be form.

Process development engineers work on the pilot scale.

They are essentially testing the initial process concept, and working with their pilot operators to run tests
and collect data that validate the process hypothesis. Process development engineers work at the interface
of R&D and process design. Scale up production volume without losing quality.

Process design engineers tend to work at the client phase, delivering design packages based on customer
specifications. They should be providing a design that is already validated in the pilot phase.

Unit engineers troubleshoot problems in an existing operation. i.e., if your column is flooding, a unit engineer
will investigate changes to be made - like possible tray changes for the next revamp or changing the reflux
ration, etc.

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Process Engineer

Some typical tasks include:

• Ensuring compliance with health, safety, and environmental regulations
• Conducting research into improved manufacturing processes
• Designing and planning equipment layout and specifications  Process design
• Incorporating safety procedures for working with dangerous chemicals
• Monitoring and optimizing the performance of production processes
• Estimating production costs

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Process Engineer
Chemical Industry Layers:
• Shell and tube exchanger

• Condenser H
R - Reactor System
• Reboiler
S - Separator (or recycling) system
H – Heat exchangers/recovery system • Distillation column
U – Utility (services) system S
• Packed bed column

• Crystallizer
Fig: Onion Diagram H&S
• Evaporator

Compressors, Refrigeration
systems, Air Conditioning systems,
Water Treatment Plants, Cooling U
Towers etc.

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Process Engineer

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Process Engineering Activities

Process Engineering activities can be divided into the following activates:

• Process simulation
• Heat and mass balance
• Process flow diagram
• Sizing of equipment/datasheet
• Sizing of piping/pipelines
• Line list
• Equipment list
• Cause & effect
• Process control narrative

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 Process Engineering Documents
The “process design basis” is a structures document and is developed
Process Engineering documents can include: sequentially for the ease of developing other process engineering
deliverables for the project:
• Design basis/specifications (LINK) It Includes:
• Process description (battery limit conditions, process technologies,..)
• Symbology • Project scope (facility, location, ownership,..)
• Design philosophy (specifications, delivery, process conditions, turn-
• Block flow diagrams (BFD) down ratio, availability, ..)
• Design criteria for the equipment and system
• Process Flow Diagrams (PFD) • Codes and standards followed as agreed between the company and
contractors.
• Piping and instrumentation diagrams (P&ID) • It may include the basis for, but is limited to:

• Process datasheets 1. Design pressure

2. Design temperature
3. Design or max. velocities for piping
• Process control narratives 4. NPSHA (Pump hydraulics)
5. Fouling factors (heat exchangers)
• Cause and effect diagram 6. Nozzle momentum values (vessels/separators)
7. Piping roughness values
8. Operation, control, safeguarding philosophy
9. Isolation philosophy
10. Insulation requirement
11. Drain philosophy
12. Material & and corrosion philosophy
Symbology 13. Utility requirement & and battery limit conditions for ISBL.
PFD Symbols: https://www.vistaprojects.com/pfd-symbols/ 14. Chemical Dosing requirement
P&ID Symbols: https://www.vistaprojects.com/common-pid-symbols/ 15. Fire, smoke & gas detection philosophy

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Process Engineering: A team work
Process Design
design approval (design PFD, P&ID, plant
layout, equipment list etc.
Client and economics of design)
PFD , P&ID,

⇌
⇌
PO Equipment list

Business development Project and Design

PO
⇌
(prepare techno- project
commercial proposal) BOM (GAD, project structure,
equipment list)
⇌

Purchase PFD, P&ID and GAD

⇌
⇌

Design
(detailed working of the plant, • General arrangement drawing
Vendors material selection) (GAD) or Plot Plan  CL,
EL, BL, ISBL, OSBL, pipe
⇌ arrangement etc.
Automation Department • Bill of material (BOM)

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Syllabus:

CL 306 Process Engineering and Economics 2-1-0-6

Syllabus:
a) Process design/engineering
i. Introduction
ii. Flowsheet synthesis
iii. Design of separation system
1. Economics of process design
i. Economics fundamental
ii. Economic analysis for conceptual designs
iii. Techno-economic feasibility report writing

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Syllabus:
CL 306 Process Engineering and Economics 2-1-0-6

Input information and batch versus continuous; Input-output structure of the flow sheet; Recycle
structure of the flow sheet; Application of separation system principles for case studies;
Cost diagrams and screening of process alternatives; Preliminary process optimization; process
retrofitting; Equipment sizing and costing for different process units; Cost information; Estimating
capital and operating costs; Total capital investment and total product costs; Time value of money;
Measures of process profitability; Simplifying economic analysis for conceptual designs; Techno-
economic feasibility report writing.

Prerequisite: CL 301 and CL 209 CL304 Chemical Process Technology

CL209: Process Equipment Design CL 306 Process Engineering and Economics
CL301: Mass Transfer – II CL312 Computer Aided Process Equipment Design

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Syllabus:

References Books:
1. Douglas, Conceptual Design of Chemical Processes, McGraw Hill, 1989.
2. Timmerhaus, Plant Design and Economics for Chemical Engineers, 5th Edition, McGraw-Hill, 2011.
3. E. Ludwig, Applied Project Engineering, 2nd Edition, Gulf Publishing Company, 1988.
4. Smith, Chemical Process Design and Integration, 8th Edition, Wiley, 2006.
5. T. Biegler, I.E. Grossmann, A.W. Westerberg, Systematic Methods of Chemical Process Design, Prentice
Hall International Series, 1997.

• The knowledge of process design and economics help understand the fundamental
principles and factors involved in designing a technically and economically efficient
chemical process/plant
• The course cover
• Engineering strategies for chemical process design
• Engineering analysis of economics related to the chemical process & operations

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Evaluation scheme :
Evaluation scheme for CL 306

30%  Assignment/quizzes/Class interaction

30%  Mid Semester Exam
40%  End Semester Exam

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Introduction

Chemical engineering and process/plant design

• One important purpose of the chemical engineering is to create new material that are useful for
society .
• Chemical for sustainable development of the society: fuel, food, pharmaceutical, fertilizers,
metal, textiles, soap, detergent, cosmetic, and plastic.
• Chemical plat is a facility for physicochemical or biological transformation of raw material into a
value added chemical products using various resources such as manpower, water, energy,
money, land etc.

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 Introduction
Classes of chemical products:
The range of chemical products are extremely broad. Broadly classified in to three categories:
1. Commodity or bulk chemical: • High capital cost (due to large scale production)
• Produced in large volumes • High operating cost  desirable to keep it as
• Chemical composition, purity and price are important consideration low as possible
• Ex: ethylene, acetone, sulphuric acid, nitrogen, oxygen, etc. • Designated equipment for specific process steps
• Low value addition (finished product sell Price – cost of material • Greater focus on process innovation and little on
purchase) product innovation (as product is already
2. Fine chemicals: established in the market)
• Produced in small volumes
• Chemical composition, purity and price are important consideration • Low capital cost (for small volume production <
• Ex: Chloropropylene oxide, Dimethyl formamide, n-butyric acid etc. 1000 t/yr)  Sharp product life cycle and sharp
• High value addition time to market  product and process
3. Specialty or functional chemicals: development go hand-in-hand
• low volumes, high value products • Low operating cost
• important consideration is given primarily to function not chemical • Product focused innovation
composition • Often manufactured in multipurpose
• Ex: Pharmaceuticals, Pesticides, Perfumes, Flavorings, etc. equipment/plant.
• High value addition

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 Introduction

Process/Plant design is the creative activity where we generate a

Plant Design

 Conceive
 Design
conceptual level ideas and then translate them into inter-connected
 Construct equipment and processes for producing the new materials or for
 Operate significantly upgrading the value of the existing materials in safe,
reliable and economic way.

Various factors that affect the design of these chemical plants/chemical processes
for manufacturing a chemical product.
Chemical plants/chemical processes are the judicious combination of various unit
process and unit operations.

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Process/plant design: Definition
• Chemical process design is the selection and sequencing of units for desired physical, chemical or
biochemical transformation of materials.
• This involves equipment specifications, material of construction, operating conditions, utilities and
auxiliaries, and principal instrumentation.
• Process design can be used to design of a new facility or modification or expansion of the existing
facilities.
• The design starts at a conceptual level and ultimately ends in the form of fabrication and construction plans.
• Process synthesis is the step in design where chemical engineer selects the unit operations, component
parts, their interconnections and operational conditions to create an optimized process flow-sheet (flow
diagram) that meets the given objectives and constraints.
• These objectives and constraints are mostly related to economics, but we must also consider environmental
impact and safety.
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Process/plant design

• Recently, the use of mathematical programming technique for generation of optimal flowsheet
has received considerable attention  Commercial software
• Simulation models to perform techno-economics while designing a process flowsheet.
• Predict process behavior/variables
• Equipment sizing
• Design performance
• Control, monitoring and troubleshooting
• Economic Analysis
• Plant design includes all engineering aspects involved in the development of either a new,
modifies, or expanded industrial plant.
• The engineer will make design specification of the individual piece of equipment and their
interactions, economic evaluation of the processes, select plant location, develop a plant layout
for operational coordination and also perform safety analysis.

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Preliminary/Conceptual Process Design & Analysis

• For a new/modified product, a plant has to be expand/modernize the existing manufacturing

facilities for favorable return on investment
• The design engineer has to do following preliminary process design and analysis:
i. Process design
ii. Selection of process and process equipment, material, design specification of the
individual piece of equipment and their interactions
iii. Preliminary plant layout and location considerations to estimate labor, building and land
cost.
iv. Manufacturing cost analysis
v. environment and safety analysis.

• Based on the preliminary plant design analysis, if a decision is taken to design a plant then only a
detailed commercial plant design is taken up.

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Process/plant design requirement:

• New process/plant /grass-root/greenfield project

• Petrochemicals Design requirement:
• Industrial gases
• Pharmaceuticals Engineering design of new chemical plant
• Polymeric materials (and expansion or revision of existing ones)
• Biochemical require the use of
• Foods, agro etc.  Basic engineering principle
• Known plant, but different location or different capacity  Thermodynamics, reaction
• Add-on project (Plant improvement/retrofitting) engineering, transport processes,
• Debottlenecking plant capacity knowledge of process equipment
• Increase plant capacity design using computer technology
• Backward and forward integration etc.
• Increase plant efficiency  Practical understanding of the limits
• Decrease costs imposed by industrial conditions
• Pollution minimization  wisdom, creativity and imagination
• Increased standards of safely

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Major goals of engineering design

• Eliminate non-optimal solutions with as little effort as possible

• Produce a financial estimate
• Understand the risk the process poses to society and environment
• Produce the documentation required to build the process

 Process design is similar to painting (an artist’s approach)  Engineering method: solve design
problem by first developing very simple design and then adding successive layers of details.

Setting and defining an objective  no. of designs  eliminate and optimize  reaching final
paint/design

 Key decision making tools:

• Economic viability
• Health, Safety concern
• Environmental concern

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Design constraints

During considering various ways of achieving the design objective, the design engineer is
constrained by many factors (constraints), which narrow down the number of possible design.

 External Constraints: Fixed, invariable, where designer has no control. Ex: Physical laws,
govt. regulation and standards

 Internal Constraints: less rigid, designer has some control. Ex: choice of process, choice of
operating conditions, selection of materials and equipments.

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Sustainable Process Design

• Design as per the sustainable industrial activity that retains the capacity of ecosystems to support
both life and industrial activity in the future.

• The present needs must be met without compromising the needs of the future generations.
• Raw materials: minimize waste, preserve it future.
• Energy: preserve fossil-fuels, Prevent the CO2 release
• Water: preserve it for future without contaminating
• Aim for sustainable process development
• Economic
• Safe
• Low environmental impact
• Low waste
• Efficient operation
• Correct raw materials
• Efficient use of energy and water

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Codes and standards for Design

• Plant design should take account of the relevant codes and standards. Conformity between
projects can be achieved if standards designs are used whenever practicable.

• Modern engineering codes and standards cover a wide range of areas including:
 Material, properties and compositions
 Testing procedure for performance, compositions and quality
 Preferred sizes for tubes, plats and standard sections
 Design method, inspection and fabrication
 Codes of practice for plant operation and safety
• Many countries have their own national standards organizations, which are responsible for the
issue and maintenance of standards.
 India: Bureau of Indian Standards.
 USA: National Bureau of Standards, American National Standards Institute (ANSI), American
Petroleum Institute (API), American Society for Testing Materials (ASTM), American Society for
Mechanical Engineers (ASME), etc.
 UK: British Standard Institute

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Design factors (design margins)

• Uncertainties in design arise from uncertainties in the design data and also from the
approximation made for the design.
• Include a degree of over-design- design Factor, design margin or safety factor to ensure that the
design meets product specifications and operational safety.
• A factor of 4 on the tensile strength is normally used in general structural design to allow uncertainty
in material properties, fabrication etc.
• The process stream average flows calculated from material balance are usually increased by a factor of
10% to give some flexibility in process operation.

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Feasibility survey:

• Before any detailed work is done on the design, the technical and economic factors of the
proposed process should be examined.
• The various reactions and physical processes involved must be considered along with the
existing and potential market conditions for the particular product.

Items to be considered:
• Raw materials (availability, quality, quantity and cost)
• Thermodynamics and kinetics of the chemical reaction involved (equilibrium, yield, rates and
optimized conditions)
• Facilities and equipment available at present • Completion and Operation
• Facilities and equipment which mist be purchased • Properties of products
• Estimation of production costs and total investment • Plant location
• Profits (probable, per year, return on investment) • Sales and sales services
• Material of construction • Shipping
• Safety consideration • Patent situation and legal restriction etc.
• Market

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 Integrated Process Design

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Integrated Process Design

Input Process design (or Process Selection, construction Operation

creation/synthesis)
• New ideas. and installation • Continuous
• Examples • Batch
• Literature review
• patent search
• Survey

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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

• Traditional process design comprises a hierarchy of activities, which can be depicted by the
successive layers of an Onion Diagram.

Hierarchy of chemical process creation/design

• Process Synthesis focuses on the sub-systems of
Reaction (R) and Separation (S), which in the end
define the basic process architecture.

Heat exchanger network

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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

Approach for Process synthesis and development:

• Hierarchical process
• Generalized superstructure-based framework
https://www.sciencedirect.com/science/article/pii/S0098135419308415
• Algorithm based (Software/AI/ML)

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https://processdesign.mccormick.northwestern.edu/index.php/Process_alternatives_and_flowsheeting

• A Modified Hierarchy for Designing Chemical Processes https://pubs.acs.org/doi/pdf/10.1021/ie051443k

• The Hierarchy of Process Design https://www.ou.edu/class/che-design/a-
design/The%20Hierarchy%20of%20Process%20Design.pdf
• IntegrateProcess Simulationand Process Synthesis
http://www.geocities.ws/foodominic/CEP2005_OnionModel.pdf
• A General Framework for Process Synthesis, Integration, and Intensication
https://www.osti.gov/pages/servlets/purl/1642429
• Modular Integrated Framework for Process Synthesis and Optimization Based on Sequential Process
Simulator https://www.aidic.it/cet/13/35/008.pdf

• Industrial best practices of conceptual process design

https://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.595.9330&rep=rep1&type=pdf

• chemical engineering design (CHME 417) https://www.studocu.com/row/course/orta-dogu-teknik-

universitesi/chemical-engineering-design/4542593
• https://www.slideshare.net/sajjad_al-amery/episode-47-conceptual-design-of-chemical-processes
• Economic and environmental strategies for process design
https://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.664.6870&rep=rep1&type=pdf
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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

Hierarchy of decisions levels for inventing/synthesizing process flowsheet for the conceptual (base
case ) design:

1. Production mode: Batch vs continuous

2. Input-output structure of the flowsheet
3. Recycle structure of the flowsheet It is the five elements of the
4. General structure of the separation system hierarchy of process design
a) Vapour recovery system
b) Liquid separation system
5. Heat-Exchanger network

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Integrated Process Design
Process Synthesis + Process Integration  Integrated process design

• Process Integration emphasizes on the efficient use of energy

(significant energy saving can be achieved by analyzing the problem in
the context of the whole process (system), contrary to the viewpoint of
the stand-alone units)

• A complex plants are characterized by the existence of recycles of

materials and energy, which necessitates their efficient integration.

• Process Integration deals mainly with heat exchange network (H),

management of utilities including wastewater treatment (U),
environmental issues (E) and plantwide control issues (C).

 Process Synthesis and Integration activities are interrelated leading to

Integrated Process Design (IPD).
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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

 Process Synthesis and Process Integration are separate

but highly complementary activities that form the
paradigm of the Integrated Process Design (IPD).

Integrated process design

i. Material balance envelope: two inner layers of
Reactor (R) and Separations (S)  scope of
Process Synthesis

ii. Heat balance envelope: outer layers of Heat

Fig: Integrated Process Design approach
Exchange (H) and Utility (U) systems  scope of
Process Integration U: management of utilities including wastewater treatment
E: Environmental issues
C: plantwide control issues

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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

• Integrated process design is the conceptual design (base-case) approach.

• Figure also highlights some important features regarding the conceptual design
approach:
• Some strategic integration issues may be tackled at the synthesis stage,
particularly at the flowsheet input/ output level, such as the optimal energy
targets and type of utilities for reactors, environmental burdens for handling the
toxic materials and emissions.

• Significant heat saving issues can be tackled at the synthesis of separations,

namely those involving distillation

• plantwide control issues regarding the management of the overall material

balance can be addressed at the level Reactor–Separation–Recycles.

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Integrated Process Design

https://doi.org/10.1016/B978-0-444-62700-1.00007-3

Fig: Hierarchical Approach with integrated conceptual process design

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Integrated Process Design

Process Synthesis + Process Integration  Integrated process design

Some key features of an IPD are:
 main objective of the conceptual design is the process’ architecture: the optimal targets for
sizing of units
 systemic approach consists in developing alternatives rather than a single solution
 Computer simulation is a key tool for both analysis and synthesis.
 IPD deals with both new (grassroots) plants, as well with debottlenecking and retrofitting
existing plants.

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Process design development and selection

Conceptual Design or Feasibility Study

FEED Design

Detailed Engineering Design

Conceptual design – the first phase of detailed engineering, during which the primary output is
drawings.
FEED Design – this step takes the idea and transforms it into a practical system that may be
expanded further.
Detailed Design – this is the last step of the process, during which the design is improved and
plans, specifications, and estimates are produced. Detailed engineering produces outputs such as
two-dimensional and three-dimensional models.

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Process Engineering/Design Development

Process Engineering Milestones:

FEED (Front End Engineering Design):
 Basic Engineering Development • Basic Engineering which is conducted after the completion of a
Conceptual Design or Feasibility Study.
• Concept development • At this stage, before the start of EPC (Engineering, Procurement,
and Construction), various studies take place to figure out
• Pre-feasibility development technical issues and estimate rough investment costs.

• Feasibility development through conceptual design

• Basic Engineering cost estimate Detailed Engineering Development
• Developing process engineering deliverables for plant, and process
• Front End Engineering Design (FEED) equipment datasheets
• creates a full definition of every aspect of a project development. It
 Detailed Engineering Development includes all the studies to be performed before project construction
starts.
 Pre-commissioning and Commissioning deliverables
• Detailed engineering follows Front End Engineering Design (FEED)
 Start-up and performance test deliverables and Basic Engineering, it contains in detail diagrams and drawings
for construction, civil works, instrumentation, control system,
electrical facilities, management of suppliers, schedule of activities,
costs, procurement of equipment, economic evaluation and also
environmental impacts before starting of construction of a project.

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 Typical Design steps of a chemical process
The process of design development passes through various steps:
Feasibility survey
1. Recognize a societal or engineering need.
2. Create one or more solutions to meet this need.
3. Undertake conceptual design / preliminary process synthesis of these solutions.
Feasibility development
4. Assess profitability of preliminary process and processes.
Techno-Economics Feasibility Report
5. Refine required design data (input information).
6. Prepare detailed engineering design.
7. Reassess the economic viability of the process Note:
8. Review the process again for the HS&E effect. • All these design steps may not be
9. Provide a written process design report. necessary for a simple design
10. Complete the final engineering design. projects.
11. Provide process equipment specifications
12. Assist in the construction phase. • Commercially unproven technology
13. Installation and operation may require additional design steps.
• The order of design steps may be
altered.

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Types of Process Design

Depending on the accuracy and detail required, design

engineers generally classify process designs in the following
five levels:
1. Order of magnitude of design a) No actual process design is involved
2. Study of factored design b) Used to determine quickly the level of
investment required for a proposed design
3. Preliminary designs
project
4. Detailed-estimate designs c) Identify raw materials, products and utilities
5. Final process designs

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 Types of Process Design
Preliminary designs
a) Used as a basis for determining whether further
work should be done on a proposed process.
Depending on the accuracy and detail required, design b) Approximate process methods and approximate
engineers generally classify process designs in the following cost estimates are prepared.
five levels: c) Design details and the time spent on calculations
1. Order of magnitude of design are kept to a minimum.
2. Study of factored design
Detailed-estimate designs
3. Preliminary designs a) This is done when preliminary design shows good prospect.
4. Detailed-estimate designs b) Here the cost-and-profit potential of the process is determined.
5. Final process designs c) Exact specification are not given for the equipment.
d) Piping and layout work is minimized.
Final process designs
a) Undertaken if the detailed-estimate design indicates commercial success.
b) Complete specifications are presented for all components of the plat.
c) Accurate cost analysis based on quoted price is done.
d) Profit analysis and plant-wide controllability studies are done.
e) Includes detail documentation for immediate construction of project.

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Design problem?

• Design problems are generally under-defined and many solutions are possible
• There is no absolutely correct solution to a design problem
• A better solution may exist

Design problem: Store a cryogenic liquid with minimized seasonal variation in temperature.
Solution 1: design of an under-ground tank
Solution 2: design of an above –ground tank
• Easy maintenance
• Using extra heavy insulation

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How to chose from alternatives?

• Alternatives  If appropriate material of construction is chosen and executed properly, either

design will function satisfactorily.
• To chose one design from many alternatives, several factors may contributes:
1. Economics
2. Environmental and safety concerns
3. Location
4. Political climate
5. Aesthtics
6. Etc..

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 45
Process Design selection

Large number of processes with different flow sheets are left to screen even after elimination of less
profitable process. Before detailed design, these processes must be compared (weighted comparison)
in order to select the one that is best suited for the existing conditions.

Criteria for selection or the basis for comparison

• Technical factor
• Raw materials
• Waste products and by-products
• Equipments
• Plant location
• Cost
• Time factor
• process consideration

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 46
Process design selection
Technical factor
Criteria for selection or basis for comparison a) Process flexibility
b) Mode of operation
1. Technical factor c) Special control involved
2. Raw materials d) Commercial yields
3. Waste products and by-products e) Technical difficulties involved
4. Equipments f) Energy requirement
g) Special auxiliaries required
5. Plant location h) Possibility of future developments
6. Cost i) Health and safety hazards involved
7. Time factor
8. process consideration
Raw materials Waste products and by-products
a) Present and future availability a) Amount produced
b) Processing required b) Value
c) Storage requirements c) Potential markets and uses
d) Materials d) Manner of discard/disposal
e) Environmental aspects

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Process Design selection
Equipments
Criteria for selection or basis for comparison a) Availability
b) Materials of construction
1. Technical factor
c) Initial costs
2. Raw materials d) Maintenance and installation costs
3. Waste products and by-products e) Replacement requirements
4. Equipments f) Special design
5. Plant location
6. Cost Plant location
7. Time factor a) Land requirement
8. process consideration b) Transportation facilities
c) Proximity to markets and raw
materials sources
d) Availability of service and
power facilities
e) Availability of labor
f) Climate
g) Legal restrictions and taxes

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Process Design selection

Cost
Criteria for selection or basis for comparison a) Raw materials
1. Technical factor b) Energy
2. Raw materials c) Depreciation
d) Other fixed charges
3. Waste products and by-products
e) Processing and overhead
4. Equipments f) Special labor equipment
5. Plant location g) Real estate
6. Cost h) Patent rights
Time factor i) Environmental controls
7. Time factor
a) Project completion deadline
8. Process consideration Process consideration
b) Process development required
a) Technology availability
c) Market timeliness
b) Raw materials common
d) Value for money
with other processes
c) Consistency of product
within company
d) General company
objectives

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Input information
• Definition of design problem  mostly under define

• Updated design (developed not only for new reaction scheme/idea but also for competitor’s new
process)  to ensure that company’s technology will remain competitive.

• Process design must be based on minimum amount of input information on:

1. Reactions and reaction conditions information
2. Desired production rate (yield)
3. Desired product purity (vs price)
4. Raw materials (quality vs price)
5. Information on rate of reaction and catalyst deactivation
6. Process constraints
7. Other plant and site data
8. Physical properties of all components
9. Information on safety, toxicity and environmental impact of the process
10.Cost data of the by-product, equipment and utilities

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 50
Input information

 Reaction information
Literature 1. Stoichiometry of all the reactions (primary and side reactions)
Patent 2. Tem & Press range for reactions
Research 3. Phase/phases of the reaction system
Consultation 4. Info on product distribution change with conversion and/or reactor
Wise guess 5. Info on conversion vs space velocity or residence time
6. Catalyst information (if used)  state, deactivation rate, regenerability, method of
regeneration.
 Max yield

 focus  reaction condition for max. yield (neglecting optimum economic operating
condition)

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Input information
 Catalyst deactivation rate
• Catalyst deactivation rate info  time consuming experiments
• Sensitivity study (to include large uncertainty) for highest potential profitability experimental development

 Production rate (plant size)

• survey  plant already built and operating (max size)
• Size vs risk vs market share
• Changing market size  Must be design for a range of production rate (operating flexibility)
 Product purity
• Marketing considerations
• Range of product purity  range of product price
• Consistency on product purity
 Raw materials
• Laboratory used pure raw materials
• Actual ground raw material quality and price  purification facility (feed preparation)cost
• Impurities effect on reactions, separation system
• Impurities handling in the plant

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Input information
 Constraints
• Safety  process operation under explosive limits
• Special safety features
• Processing condition (HP-HT)/materials (toxic/corrosive) knowledge  to plan better safety aspect
 Plant and site data
• Design compatibility with existing process plant on the site
• Battery limit conditions and costs
 Physical property data
• Not available in the literature
• Estimation based on group contributions
• Data on molecular weights, boiling points, vapour pressure, heat capacities, heat of vaporization, heat of
reaction, liquid density, fugacity coefficient etc.  Software packages
 Cost data
• Capital cost
• Operating cost
Available input information  Conceptual design (preliminary design) associated with sensitivity analysis,
since we never have the right data.

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 53
Input information
B 𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐵 𝑝𝑟𝑜𝑑𝑢𝑐𝑒𝑠
Ex: A 𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 𝑆 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑
C

A: Raw material 𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐶 𝑝𝑟𝑜𝑑𝑢𝑐𝑒𝑠

B: Major product 𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 𝑙𝑜𝑠𝑠 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑
C: By product (low value)
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑 𝑖𝑛 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
𝐶𝑜𝑛𝑣𝑒𝑟𝑖𝑠𝑜𝑛 𝑥 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑓𝑒𝑑 𝑖𝑛𝑡𝑜 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

 Raw material cost and selectivity losses are important in the design of a process.
 The optimum economic conversion is normally fixed by an economic trade-off
between large selectivity loss and large reactor cost at high conversions balanced
against large recycle cost at low conversions.

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 54
Input information
Ex: Input information for Hydrodealkynation (HDA) of toluene to process benzene
1. Reaction information
a. Reactions 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 + 𝐻2 → 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 + 𝐶𝐻4
a. At reactor level Toluene Unreacted
2𝐵𝑒𝑛𝑧𝑒𝑛𝑒 ⇋ 𝐷𝑖𝑝ℎ𝑒𝑛𝑦𝑙 + 𝐻2 (1-x) mol
Toluene Feed
b. Reaction inlet temperature >1150oC; reactor pressure = 500 psia. 1 mol Sx Benzene Produced
x mol
c. Toluene reacted
1
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 𝑎𝑡 𝑟𝑒𝑎𝑡𝑜𝑟 𝑜𝑢𝑡𝑙𝑒𝑡 0.0036 2
(1-S)x
𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 𝑆 = 𝑆 =1− Diphenyl Produced
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑 (1 − 𝑥)1.544
a. At plant level

𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑 𝑖𝑛 𝑟𝑒𝑎𝑐𝑡𝑜𝑟 Toluene Toluene = 1-x

𝐶𝑜𝑛𝑣𝑒𝑟𝑖𝑠𝑜𝑛 𝑥 = 𝑥 < 0.97 Benzene = Sx
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑓𝑒𝑑 𝑖𝑛𝑡𝑜 𝑟𝑒𝑎𝑐𝑡𝑜𝑟 Toluene Feed 1 mol Benzene = Sx
Feed x mol Reactor 1 Separator
Diphenyl = (1-S)x
2 1
Diphenyl = (1-S)x
2
d. Gas phase Toluene recycled = 1-x mol
e. No catalyst
2. Production rate of Benzene: 265 mol/hr
3. Product purity of benzene: xD = 0.9997
4. Raw materials: pure toluene at ambient conditions; H2 stream containing 95% H2; 5% CH4 at 550 psia, 100oF.
5. Constraints:
6. Plant and site data

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Batch vs Continuous operation
Continuous operations Batch and semi-batch operations
• Preferred for large scale production – commodity • Preferred when production rates are small –
products such as chemical, petroleum, plastics, manufacture of specialty chemicals,
pharmaceuticals, bio-chemicals or when the
paper, solvents etc. product demand is intermittent.
• Runs for 24hr/day, 7 day/wk  90-95% time of a • Batch operation units are design to be started and
year (8760h) stopped frequently  drained and clean for reuse
Advantage: Advantage:
• Improved process control • Flexibility
• More uniform quality product • Multi-product batch units
• Reduced labor costs • Improved control in semi-batch operations
• Easy scale-up from laboratory and
• More economical for large volumes maintenance, etc.
• Less fouling, etc. Drawback:
• Large continuous plant with one/two batch • Batch-to-batch variability
operation (Adsorption unit  a batch operation)

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Batch vs Continuous operation  selection (Decision level-I)
 Decision level-1 of the process synthesis
Guidelines for batch processes selection  when batch process be favored over continuous process
Production rates:
• Sometime batch if < 10x106 lb/yr
• Usually batch if < 1x106 lb/yr
• Simpler and more flexible -> satisfactory product can be
Fig: Continuous operation
produced with a larger uncertainty in the design
• Greater flexibility  most common Multiproduct plant
Market price/forces:
• Seasonal product demand
• Products with short life time
Operational or scale-up problems:
• Slow reaction  batch operation are reasonable alternatives
• Low capacity slurry handling
• When cleaning is required at frequent interval. Fig: Batch operation
Multiple operation in a single vessel:
Design a continuous process first  screen process alternatives
• Less equipment required  low budget & best process flowsheets  optimize for batch process plant.
• Merge processing steps
07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 57
 Input and output structure of a process (Decision level-II)
Input Output • Raw material (30-85% of the total processing cost) fist calculate
this cost and then add any other details to the flowsheet design.
Product • Rule of thumb  Desirable to recover more than 99% of all the
Raw Total valuable materials  completely recover and then recycle all
material feed
Process valuable reactants, i.e, No reactants leave the system  Fig. a
Byproduct
• Reactants (air/water)  some time it is cheaper to release in the exit
stream rather than recover and recycle them  Fig b

Process
Process

Fig. a: No reactants leave the system Fig. b: Some cheap reactants leave the system

Fig. : Input-output structure of a flow sheet

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Input -output structure selection

 Decision level-2 of process synthesis

Level-2 decisions involve:

1. Should we purify the feed streams before they enter the process?
2. Should we remove or recycle a reversible by-product?
3. Should we use gas recycle and purge stream?
4. Should we not bother to recover and recycle some reactants?
5. How many product stream will be there?
6. What are the design variables for the input-output structure, and what economics trade-offs are
associated with these variable?

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 59
Input -output structure selection
 Purification of feed streams?
Decision to design a preprocess purification system  Yes/NO?
• At the synthesis and analysis procedure  no clarity about kind of separation system required for processing
the feed  so no definite decision.
• Only qualitative design guidelines can be followed on the guess basis better to process the gas and stream
feed until and unless byproduct separation is cheaper. Catalyst impurity remove it.

• In this case of not certain about decision  list the opposite decision as a process alternative.

Decision  design a preprocess purification system  YES  next?

• Again, in the case of uncertain about decision  list the opposite decision as a process alternative  have a
systematic way of generating a list of process alternative.

• There is always economic tradeoff between (a) building a preprocesses separation system (capital & operating
cost) for better selectivity and yield and (B) additional cost for process operation (high flow rate case of inert
material).
07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 60
Input -output structure selection
 Recover or recycle reversible by-products? 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 + 𝐻2 → 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 + 𝐶𝐻4
• Reaction to produce Benzene from toluene  𝟐𝑩𝒆𝒏𝒛𝒆𝒏𝒆 ⇋ 𝑫𝒊𝒑𝒉𝒆𝒏𝒚𝒍 + 𝑯𝟐 Reversible reaction

• recycle loop? Diphenyl  Benzene

Benzene  Diphenyl =
Recycle loop at equilibrium level

For recycle loop at equilibrium flow  all If recycle loop is not provided in the process 
oversized equipment is required in recycle loop pay economic penalty in terms of increased cost
 increased recycle cost of reactants (here, toluene as raw material) 
Result is sensitive to equilibrium constant. increased raw material cost

• In this case, generation of another process alternative is needed.

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Input -output structure selection
 Gas recycle and purge?
Recycle and purge stream add degree of freedom to the design
 Recycle to purge ratio
 Composition of the purge
 Molar ratio or excess of the gaseous reactants fed to the process.
Decision to made at input-output structure:
• light feeds (light reactants) impurity or light by-products  Gas recycle and purge
• Light components  boils at lower than propylene (-55oF or -48oC)
• Such reactants can not be condensed at high pressure  expensive refrigeration/separation processing operation
• If reactants cost is low better purge them  gaseous reactants (Purged) vs organic liquid (recycle)

CO2  Purging Environmental constraint Process alternative consideration:

 need for cost effective gas separation technology 1. Amine based gas separation
2. Membrane based gas separation
 Do not recover or recycle some reactants?
• Less valuable reactants, such as air, water.
• Cost of handling excess air/water for complete conversion/utilization is high or pollution treatment is costly

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Input -output structure selection
 Number of product streams?
• Component list (feed, reactor, separator)
• Classify components that leaves the reactor  assign a destination code to each

Destination code Component classification

1. Vent Gaseous by-product and feed impurities

2. Recycle and purge Gaseous reactants + inert and/or gaseous by-product
3. Recycle Reactants Thumb rule 
Reaction intermediates Never separate and then
Azeotropes with reactants (sometimes)
remix two streams
Reversible by-products (sometimes)
4. None Reactants –if complete conversion or unstable reaction intermediates
5. Excess- vent Gaseous reactant not recovered or recycled
6. Excess-waste Liquid reactant not recovered or recycled
7. Primary product Primary product
8. Valuable by-product Separate destination for different by-products
9. Fuel By-products to fuel
10. Waste By-products to waste treatment

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Input -output structure selection
 Number of product streams?
Ex: For the 10 component listed below in order of their boiling points with the destination code, how many
product stream will be there?
Steps:
1. Identify components in he reactions
2. Arrange the components in order of normal boiling points (Table)
3. Identify the number of product streams
Component Destination Code
A Waste
B Waste
C Recycle
Solution:
D Fuel Increasing BP
1. A +B  waste
E Fuel 2. D+E  Fuel
F Primary product 3. F  Primary product 5 number of product streams
G Recycle 4. I  Valuable by-product 1
H Recycle 5. J  separate fuel
I Valuable by-product 1
J Fuel

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Input -output structure selection

 Find the number of product streams for HDA process ?

𝑇𝑜𝑙𝑢𝑒𝑛𝑒 + 𝐻2 → 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 + 𝐶𝐻4 • Identify components in he reactions

2𝐵𝑒𝑛𝑧𝑒𝑛𝑒 ⇋ 𝐷𝑖𝑝ℎ𝑒𝑛𝑦𝑙 + 𝐻2 • Arrange the components in order of
normal boiling points (Table)

Purge: H2, CH4

Component BP (oC) Destination code
Benzene H2 - 253 Recycle and purge
H2, CH4
Process CH4 - 161 Recycle and purge
Toluene Diphenyl Benzene 80 Primary product
Toluene 111 Recycle
Fig.: Input-output structure of HDA process Diphenyl 253 Fuel

• Three product streams

• H2, CH4 Purge stream
• Benzene as primary product stream
• Diphenyl as Fuel (by product)

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Input -output structure selection (Decision level-2)
 Evaluation of flowsheet

At each stage of development of a flowsheet, it is imperative to assure that all products, by-
products and impurities leave the process.

Suggestion:
• Identify the impurities, even traces (Toluene  Source) and how they will exit the
process
• Other by-products  must leave the process or can be recycled
• Any side reaction (crucial)

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 66
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost

• To achieve overall process material balance and the stream cost  we must access whether the problem
definition is complete or some information is missing (design variable)

• Design variable add degree of freedom to process design in order to calculate material balance

• Single product and complete conversion of reactants (no loss) such process has zero degree of freedom

• In general, the problem definition is not complete  so, impossible to have a unique set of material balance
for a process  stream costs also not unique

In the case of no unique material balance:

Consider all the unknown design variables  develop material balances and stream costs  economic
optimization

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 67
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost

 Design variables
• Variables are used to define the design problem
• Design variable  add degree of freedom to process design problem
• In case of process with multiple/complex reactions, there will always be a correction of product distribution in
terms of process varieties.

• Decision related design variables selection depends upon:

1. Conversion of limiting reactants
2. Molar ratio of reactants
3. Reactor temperature and/or pressure
4. Catalyst and kinetic model

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 68
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Procedure:
• Where to start?
- For grass root plants  production rate of desired product
- Expansion (forward integration) plants  feed rate of the raw materials (or by-products of the existing
process)

• Steps in developing material balance:

1. Start with a specific production rate
2. From basic reaction and stoichiometry, determine the reactant(s) flow rate and also the flow rate of all the
by-products.
3. Calculate the impurity levels at inlet of the process, and also the at the reactor outlet, if we recover all
unreacted reactants and recycle them.
4. Calculate the outlet flow of the reactants in terms of the specific amount of the excess – for stream where
reactants are not completely recovered or recycled (typically the case of recycle/purge).
5. Calculate the inlet and outlet flows for impurities that enter with reactant streams (recycle stream)

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Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances

Limitation:
1. Assume complete or 100% recovery of all volatile material (reactants/products)
2. Find neighborhood or group of optimum values of design variable that decide inlet/outlet flows than it is
to determine the losses.
3. Process having multiple variable products  challenge of product distribution
• Chlorination of methane (CH3Cl, CH2Cl2, CHCl3, CCl4)
• Amine process (MEA, DEA, TEA)
For such reactions, product distribution is the starting point. Product distribution is governed by market
demand.

Monoethanolamine (MEA)
Diethanolamine (DEA)
Triethanolamine (TEA)

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Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost Toluene + H2 → Benzene + CH4
2Benzene ⇋ Diphenyl + H2
 Overall material balances
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑 𝑖𝑛 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
Example of HDA process: 𝐶𝑜𝑛𝑣𝑒𝑟𝑖𝑠𝑜𝑛 𝑥 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑓𝑒𝑑 𝑖𝑛𝑡𝑜 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 𝑎𝑡 𝑟𝑒𝑎𝑡𝑜𝑟 𝑜𝑢𝑡𝑙𝑒𝑡
𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 𝑆 =
• Three product stream 𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑
• All the toluene that is fed, gets converted in a pass (x =1)
Note: Usually per pass conversion of toluene in reactor (x)
is always less than one, i.e x < 1
• Recover and remove all benzene produced

• Given, Desired production rate of Benzene (PB) = 265 mol/hr

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Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost Toluene + H2 → Benzene + CH4

 Overall material balances 2Benzene ⇋ Diphenyl + H2

Example of HDA process:

 Selectivity and reaction stoichiometry:

𝑃𝐵
• Feed rate of fresh toluene (𝐹𝐹𝑇 ) to he process: 𝐹𝐹𝑇 =
𝑆
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑 𝑖𝑛 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
𝑃𝐵 𝐶𝑜𝑛𝑣𝑒𝑟𝑖𝑠𝑜𝑛 𝑥 =
• From stoichiometry, Amount of methane produced: 𝑃𝑅,𝐶𝐻4 = 𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑓𝑒𝑑 𝑖𝑛𝑡𝑜 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
𝑆 𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐵𝑒𝑛𝑧𝑒𝑛𝑒 𝑎𝑡 𝑟𝑒𝑎𝑡𝑜𝑟 𝑜𝑢𝑡𝑙𝑒𝑡
𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 𝑆 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝑇𝑜𝑙𝑢𝑒𝑛𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑡𝑒𝑑
• If fraction S of toluene converted to benzene, 1-S will be lost to
diphenyl. Amount of diphenyl produced :

(1 − 𝑆) 𝑃𝐵 (1 − 𝑆)
𝑃𝐷 = 𝐹𝐹𝑇 =
2 𝑆 2

Fresh toluene  contains no impurities

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 72
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost Toluene + H2 → Benzene + CH4

 Overall material balances 2Benzene ⇋ Diphenyl + H2

Example of HDA process:

 Recycle and purge:

H2 balance of the process:

H2 fed (FFH) - H2 utilized + H2 generated = Excess H2 (FE)
𝑃𝐵
+
𝑃𝐵 (1−𝑆) 𝑃𝐵 𝑃𝐵 (1−𝑆) F
yFHFG - 𝑆 𝑆 2
= FE ⟹ yFHFG - 𝑆
+ 𝑆 2
= yPHPG  Purge stream yPH = P E
G

FH = yPHPG
CH4 balance of the process: PCH4 = (1-yPH)PG
Total production of methane (PCH4) = methane fed + methane generated
𝑃𝐵
PCH4 = (1- yPH)PG = (1- yFH)FG +  Purge stream
𝑆

Purge stream (PG) = FH + PCH4 ⟹ yPHPG + (1- yPH)PG

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 73
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost Toluene + H2 → Benzene + CH4
 Overall material balances 2Benzene ⇋ Diphenyl + H2

Example of HDA process:

 Recycle and purge:
H2 balance of the process:

FH = yPHPG
𝑃𝐵 𝑃𝐵 (1−𝑆)
yFHFG - + = yPHPG  Eqn. I
𝑆 𝑆 2
FE= amount of H2 in Purge stream
(1-yPH)PG = amount of CH4 Purge stream
CH4 balance of the process:
FG = Total Fed stream rate
𝑃𝐵 PG = Total Purge stream rate
(1- yFH)FG + = (1-yPH)PG  Eqn. II yFH = fraction of H2 Fed stream
𝑆
yPH = fraction of H2 purge stream

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 74
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Example of HDA process:

Adding Eqn I. and II.

𝑃𝐵 𝑃𝐵 (1−𝑆)
yFHFG - + = yPHPG  Amount of H2 in Purge stream
𝑆 𝑆 2
𝑃𝐵
(1- yFH)FG + = (1-yPH)PG  Amount of CH in Purge stream
𝑆 4
𝑃𝐵 (1−𝑆)
FG + = PG
𝑆 2

𝑷𝑩 (𝟏−𝑺)
PG = FG +
𝑺 𝟐

(1−𝑆)
𝑷𝑩 1−(1−𝑦𝑃𝐻 )
From Eqn I.  FG = 2
𝑺(𝒚𝑭𝑯−𝒚𝑷𝑯)

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 75
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Example of HDA process:

(𝟏−𝑺)
𝑷𝑩 (𝟏−𝑺) 𝑷𝑩 𝟏−(𝟏−𝒚𝑷𝑯 ) 𝟐
PG = FG + & FG =
𝑺 𝟐 𝑺(𝒚𝑭𝑯 −𝒚𝑷𝑯 )

FE FE
𝑦𝑃𝐻 =
PG
Variable preference for recycle and
purge? 𝒚𝑷𝑯  Chosen for numerical limit (0 -1)

FG and PG is calculated in terms of design variables  𝒚𝑷𝑯 (design variable)

For given value of PB, S and either FE or yPH  calculation for fresh fed rate of toluene (FFT) and purge
streams can be made.
07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 76
Input - output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Material balances in terms of extent of reaction:

 There is a common practice of describing MBal in terms of the extent of reaction, 𝜉𝑖 (or fractional extent of reaction).

For HDA process,

mol
Toluene + H2 → Benzene + CH4
• 𝜉1 𝑚𝑜𝑙 𝑜𝑟 hr Toluene react with 𝜉1 𝑚𝑜𝑙 of H2 to produce 𝜉1 𝑚𝑜𝑙 of Benzene
and 𝜉1 𝑚𝑜𝑙 of CH4 . Also,
2Benzene ⇋ Diphenyl + H2 • 2𝜉2 𝑚𝑜𝑙 of Benzene produces 𝜉2 𝑚𝑜𝑙 of Diphenyl 𝑎𝑛𝑑 𝜉2 𝑚𝑜𝑙 of H2

In short;
Net Benzene produced = ξ1 − 2ξ2
Methane Produced = ξ1
Diphenyl Produced = ξ2
Toluene consumed = ξ1
Hydrogen consumed = ξ1 − ξ2

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 77
 Input - output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Extent vs selectivity:
Ways of defining 𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 (𝑆):
𝑷𝒓𝒐𝒅𝒖𝒄𝒕𝒊𝒐𝒏 𝒐𝒇 𝒅𝒆𝒔𝒊𝒓𝒆𝒅 𝒄𝒐𝒎𝒑𝒐𝒏𝒆𝒏𝒕
𝑺𝒂 = 𝑜𝑟
Toluene + H2 → Benzene + CH4 𝑨𝒎𝒐𝒖𝒏𝒕 𝒐𝒇 𝒍𝒊𝒎𝒊𝒕𝒊𝒏𝒈 𝒓𝒆𝒂𝒄𝒕𝒂𝒏𝒕 𝒄𝒐𝒏𝒗𝒆𝒓𝒕𝒆𝒅
2Benzene ⇋ Diphenyl + H2 𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑖𝑜𝑛 𝑜𝑓 𝑑𝑒𝑠𝑖𝑟𝑒𝑑 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡
𝑆𝑏 =
In short; 𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑖𝑜𝑛 𝑜𝑓 𝑢𝑛𝑑𝑒𝑠𝑖𝑟𝑒𝑑 𝑐𝑜𝑚𝑝𝑜𝑛𝑒𝑛𝑡
Net Benzene produced = ξ1 − 2ξ2
Methane Produced = ξ1 For HAD process, 𝝃𝟏 − 𝟐𝝃𝟐
Diphenyl Produced = ξ2 𝑺𝒂 =
𝝃𝟏
Toluene consumed = ξ1
Hydrogen consumed = ξ1 − ξ2 ξ1 − 2ξ2
𝑆𝑏 =
ξ2

So, 𝑆𝑒𝑙𝑒𝑐𝑡𝑖𝑣𝑖𝑡𝑦 (𝑆) must be defined and used consistently.

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 78
 Input - output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Extent vs selectivity: Example

The stream expression combining 𝑆, ξ and production rate (PB) for HDA process?
Toluene + H2 → Benzene + CH4
2Benzene ⇋ Diphenyl + H2
𝑃𝐵
Toluene consumed = ξ1 =
In short; 𝑆
Net Benzene produced = ξ1 − 2ξ2
Methane Produced = ξ1 Benzene produced (PB) = ξ1 − 2ξ2
Diphenyl Produced = ξ2
Toluene consumed = ξ1
1 𝑃𝐵 (1−𝑆)
Hydrogen consumed = ξ1 − ξ2 Diphenyl Produced = ξ2 = 2 ξ1 − 𝑃𝐵 = 𝑆 2

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 79
Input - output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances
Stream Tables:
 to report Material Balance calculation
 Every stream in the flowsheet is numbered and components flow are reported with a particular set of
design variable values.

Production rate = 265 mol/hr

Design variable: FE and x

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 80
Input - output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
 Overall material balances Table: Stream table for HDA process
 Stream table: Component 1 2 3 4 5
H2 FH2 0 0 0 F𝐸

MBAL Calculation
CH4 FM 0 0 0 FM +𝑃𝐵 /S
HDA
Benzene 0 0 𝑃𝐵 0 0
Process
Toluene 0 𝑃𝐵 /S 0 0 0
Production rate (PB) = 265 Diphenyl 0 0 0 𝑃𝐵 (1 − 𝑆) 0
Design variable: FE and x 2𝑆
Temperature 100 100 100 100 100
Pressure 550 15 15 15 465

Where, 0.0036 𝑃𝐵 (1+𝑆)

Best values of Design variable (FE and x)? 𝑆 =1− FH2 = F𝐸 +
(1 − 𝑥)1.544 2𝑆
 Depends on process economics 𝑃𝐵 (1+S)
(1−𝑦FH ) 𝐹𝐸 + FG = FH2 + F𝑀
S
F𝑀 =
𝑦FH
07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 81
 Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
Stream costs: Economic potential

• Stream costs = f{Cost of raw materials, product streams (f(design variables))}

• The economic potential is the annual profit that could be made without considering for capital and
operating costs.
• Economic Potential, defined at level 2 decision as;

EP2 ($/yr) = Product value + by-product value – raw material cost

EP2 for HDA process ($/yr) = Benzene value

+ fuel value of Diphenyl
+ fuel value of purge
– Toluene cost
– makeup gas cost
– annualized capital and operating cost of feed compressor (neglect at level 2)

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 82
 Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
Stream costs: Economic potential
4,000,000
Cost data for HAD process 3,000,000
Value of Benzene = $0.85/gal = $9.04/mol 2,000,000
Value of Toluene = $0.50/gal = $6.40/mol 1,000,000

$/yr 
Value of H2 fed = $3.00/1000 ft3 = $1.14/mol 0 yPH
Fuel = $4.0/10^6 Btu - 1,000,000 0.1
Fuel value (×10^6 Btu/mol) of:
- 2,000,000
0.7
H2 = 0.1123 0.9
Ch4 = 0.383 - 3,000,000
Benzene = 1.41 - 4,000,000
Toluene = 1.68 0.1 0.2 0.3 0.4 0.5 0.6 0.7
Diphenyl = 2.688 Conversion x 

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 83
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
Stream costs: Economic potential

• Graph  at high conversion, the process is uneconomical  so unfavourable (↑ selectivity loss and
high purge of H2 as fuel)
• Max profit at x =0 and YPH = 0 i.e., no selectivity loss and zero purging of hydrogen  large
Toluene recycle loop

If the economic potential is negative  terminate the design project  look alternative for the less
expensive source of raw materials or another chemistry route

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 84
Input -output structure selection (Decision level-2)
 Design variables, overall material balances, and stream cost
Process alternatives:

• In the HDA design (as done before), decision made:  Any change in the HDA process  need
1. Not to purify the fed stream to generate process alternatives:
2. To remove the diphenyl process 1. Purify the hydrogen fed stream
3. To use a gas recycle and purge stream 2. Recycle the diphenyl to extinction
3. Purify the H2-recycle stream

Evaluation of the process alternatives:

• Simultaneously design development corresponding to each process alternatives  see economic
potential
• Less than 1% ideas for new process design converts into commerciality.
• Initial aim should be to eliminate unfavourable design with little efforts.
• Design for one alternative quickly  See EP, identify factors  base case design  then go for
other process alternatives examination  compare and select
• AI application in process design and selection

07-02-2024 CL 306 Process Engineering & Economics, Dr. Sumit kumar IITG 85