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2. Chemical Process Design and
Simulation
Dr. Imran Nazir Unar
Department of Chemical Engineering
MUET Jamshoro
Lecture No. 1 – The Design Process
Course Overview & Introduction

3. • Course Learning Objectives
• Course Materials
– Textbook
• Chemical Process Design and Integration, Smith, R, John Wiley (Latest
Edition).
• MATLAB Primer, Davis, Timothy A. and Sigmon, Kermit, Chapman &
Hall/CRC (Latest Edition).
• User Manuals and Tutorial Guides of Aspen HYSYS (Latest Edition).
Course Overview
CLOs Description Taxonomy
Level
PLOs
1 Apply the concept of optimization and pinch
analysis method in detailed process designing
C3 3
2 Develop the base case design through standard
process flowsheet software
C5 5

4. • Course Contents
• Hierarchy of process design.
• Process synthesis and design strategy.
• Pinch design method.
• Heat and power integration.
• Reactor network design.
• Separation system selection and design.
• Design of heat exchanger networks.
• Optimization method.
• Introduction to various design and simulation software.
• Development of process flow diagrams for various process industries
and de-bottlenecking using simulation software such as Aspen
HYSYS/Aspen Plus.
• Economic evaluation of processes.
• Strategies for decision making
Course Overview

5. • Grading – Total Marks 50 (2 CH)
– Assignment/Test (5 Marks)
– Attendance (5 Marks)
– Mid Semester (10 Marks)
– Final Semester Exam (30 Marks)
• Instructing Hours
– Official: Thursday and Friday (08:00 – 10:00 AM)
– Reality: Any time the door is open
Course Overview

6. Lecture 1 – Objectives
 Be knowledgeable about the kinds of design decisions that
challenge process design teams.
 Have an appreciation of the key steps in carrying out a
process design. This course, as the course text, is
organized to teach how to implement these steps.
 Be aware of the many kinds of environmental issues and
safety considerations that are prevalent in the design of a
new chemical process.
 Understand that chemical engineers use a blend of hand
calculations, spreadsheets, computer packages, and
process simulators to design a process.

7. Lecture 1 – Outline
• Primitive Design Problems
– Example
• Steps in Designing/Retrofitting Chemical Processes
– Assess Primitive Problem
– Process Creation
– Development of Base Case
– Detailed Process Synthesis - Algorithmic Methods
– Process Controllability Assessment
– Detailed Design, Sizing, Cost Estimation, Optimization
– Construction, Start-up and Operation
• Environmental Protection
• Safety Considerations

8. Primitive Design Problems
• The design or retrofit of chemical processes begins with a
desire to produce profitable chemicals that satisfy societal
needs in a wide range of areas:
• Partly due to the growing awareness of the public, many
design projects involve the redesign, or retrofitting, of
existing chemical processes to solve environmental
problems and to adhere to stricter standards of safety.
– petrochemicals
– petroleum products
– industrial gases
– foods
– pharmaceuticals
– polymers
– coatings
– electronic materials
– bio-chemicals

9. Origin of Design Problems
• Often, design problems result from the explorations of
chemists, biochemists, and engineers in research labs to
satisfy the desires of customers to obtain chemicals with
improved properties for many applications.
• However, several well-known products, like Teflon (poly-
tetrafluoroethylene), were discovered by accident.
• In other cases, an inexpensive source of a raw material(s)
becomes available.
• Yet another source of design projects is the engineer
himself, who often has a strong inclination that a new
chemical or route to produce an existing chemical can be
very profitable.

10. Steps in Product/Process Design
Initial Decision
Concept & Feasibility
Development & Manufacturing
Product Introduction

11. Steps in Product/Process Design
• Initial Decision

12. Steps in Product/Process Design
• Initial Decision
SGPDP: Stage-Gate Product-Development Process: A phase-gate
process (also referred to as a stage-gate process or waterfall process),
is a project management technique in which an initiative or project (e.g.,
new product development, software development, process
improvement, business change) is divided into distinct stages or phases,
separated by decision points (known as gates).

13. Steps in Product/Process Design
• Concept & Feasibility

14. Steps in Product/Process Design
• Development & Manufacturing

15. Steps in Product/Process Design
• Product Introduction

16. Steps in Process Design
Assess Primitive
Problem
Detailed Process
Synthesis -
Algorithmic
Methods
Development
of Base-case
Plant-wide
Controllability
Assessment
Detailed Design,
Equipment sizing, Cap.
Cost Estimation,
Profitability Analysis,
Optimization

17. Steps in Process Design
Part I
• Assess Primitive Problem
• Find Suitable Chemicals
• Process Creation
• Development of Base Case
Part II
• Detailed Process Synthesis
Part III
• Detailed Design & Optimization
Part IV
• Plantwide Controllability

18. Steps in Process Design
Assess Primitive
Problem
Development
of Base-case
Detailed Process
Synthesis -
Algorithmic
Methods
Plant-wide
Controllability
Assessment
Detailed Design,
Equipment sizing, Cap.
Cost Estimation,
Profitability Analysis,
Optimization
PART I

19. Steps in Process Design

20. Steps in Process Design

21. Assess Primitive Problem
• Process design begins with a primitive design problem that
expresses the current situation and provides an
opportunity to satisfy a societal need.
• The primitive problem is examined by a small design team,
assessing possibilities, refining the problem statement, and
generating more specific problems:
– Raw materials - available in-house, can be purchased or need to be
manufactured?
– Scale of the process (based upon a preliminary assessment of the
current production, projected market demand, and current and
projected selling prices)
– Location for the plant
• Brainstorming to generate alternatives.

22. Example: VCM Manufacture
• To satisfy the need for an additional 800 MMlb/yr of VCM,
the following plausible alternatives might be generated:
– Alternative 1. A competitor’s plant, which produces 2 MMM lb/yr of
VCM and is located about 100 miles away, might be expanded to
produce the required amount, which would be shipped. In this
case, the design team projects the purchase price and designs
storage facilities.
– Alternative 2. Purchase and ship, by pipeline from a nearby plant,
chlorine from the electrolysis of NaCl solution. React the chlorine
with ethylene to produce the monomer and HCl as a byproduct.
– Alternative 3. The company produces HCl as a byproduct in large
quantities, thus HCl is normally available at low prices. Reactions
of HCl with acetylene, or ethylene and oxygen, could produce 1,2-
dichloroethane, an intermediate that can be cracked to produce
vinyl chloride.

23. Survey Literature Sources
• SRI Design Reports
• Encyclopedias
– Kirk-Othmer Encyclopedia of Chemical Technology
– Ullman’s Encyclopedia of Industrial Chemistry
– ...
• Handbooks and Reference Books
– Perry’s Chemical Engineers Handbook
– CRC Handbook of Chemistry and Physics
– ...
• Indexes
– See Auburn University Library
• Patents
• Internet

24. Steps in Process Design
Assess Primitive
Problem
Development
of Base-case
Plant-wide
Controllability
Assessment
Detailed Design,
Equipment sizing, Cap.
Cost Estimation,
Profitability Analysis,
Optimization
Detailed Process
Synthesis -
Algorithmic
Methods
PART II

25. Steps in Process Design

26. Steps in Process Design
Assess Primitive
Problem
Development
of Base-case
Detailed Process
Synthesis -
Algorithmic
Methods
Detailed Design,
Equipment sizing, Cap.
Cost Estimation,
Profitability Analysis,
Optimization
PART III
Plant-wide
Controllability
Assessment

27. Steps in Process Design

28. Environmental Issues 1:2
• Handling of toxic wastes
– 97% of hazardous waste generation by the chemicals and nuclear
industry is wastewater (1988 data).
– In process design, it is essential that facilities be included to
remove pollutants from waste-water streams.
• Reaction pathways to reduce by-product toxicity
– As the reaction operations are determined, the toxicity of all of the
chemicals, especially those recovered as byproducts, needs to be
evaluated.
– Pathways involving large quantities of toxic chemicals should be
replaced by alternatives, except under unusual circumstances.
• Reducing and reusing wastes
– Environmental concerns place even greater emphasis on recycling,
not only for unreacted chemicals, but for product and by-product
chemicals, as well. (i.e., production of segregated wastes - e.g.,
production of composite materials and polymers).

29. Environmental Issues 2:2
• Avoiding non-routine events
– Reduce the likelihood of accidents and spills through the reduction
of transient phenomena, relying on operation at the nominal
steady-state, with reliable controllers and fault-detection systems.
• Design objectives, constraints and optimization
– Environmental goals often not well defined because economic
objective functions involve profitability measures, whereas the
value of reduced pollution is often not easily quantified
economically.
– Solutions: mixed objective function (“price of reduced pollution”),
or express environmental goal as “soft” or “hard” constraints.
– Environmental regulations = constraints

30. Safety Issues
Flammability Limits of Liquids and Gases
LFL and UFL (vol %) in Air at 25 oC and 1 Atm
• These limits can be extended for mixtures, and for
elevated temperatures and pressures.
• With this kind of information, the process designer makes
sure that flammable mixtures do not exist in the process
during startup, steady-state operation, or shut-down.

31. Design for Safety
• Techniques to Prevent Fires and Explosions
– Inerting - addition of inert dilutant to reduce the fuel concentration
below the LFL
– Installation of grounding devices and anti-static devices to avoid
the buildup of static electricity
– Use of explosion proof equipment
– Ensure ventilation - install sprinkler systems
• Relief Devices
• Hazard Identification and Risk Assessment
– The plant is scrutinized to identify sources of accidents or hazards.
– Hazard and Operability (HAZOP) study is carried out, in which all of
the possible paths to an accident are identified.
– When sufficient probability data are available, a fault tree is
created and the probability of the occurrence for each potential
accident computed.

32. Summary – The Design Process
• Steps in Designing and Retrofitting Chemical Processes
– Assess Primitive Problem – Covered Today
– Process Creation – Next Class
– Development of Base Case
– Detailed Process Synthesis - Algorithmic Methods
– Process Controllability Assessment
– Detailed Design, Sizing, Cost Estimation, Optimization
– Construction, Start-up and Operation
• Environmental Protection
– Environmental regulations = design constraints
• Safety Considerations
– Should strive to design for “inherently safe plants”

33. Thank You
What is Chemical
Engineering???

34. Thank You
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35. Thank You
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