Class Overview & Introduction

CHEN 4460 – Process Synthesis, Simulation and Optimization

Dr. Mario Richard Eden Department of Chemical Engineering Auburn University

Lecture No. 1 – The Design Process August 21, 2012 Contains Material Developed by Dr. Daniel R. Lewin, Technion, Israel

My Background

•

Background

– M.Sc. (Chem. Eng.), Tech. Uni. of Denmark (1999) – Ph.D. (Chem. Eng.), Tech. Uni. of Denmark (2003)

•

Professional Experience

– Department Chair, Auburn University (2012 – Present) – Professor, Auburn University (2012 – Present) – Associate Professor, Auburn University (2008 – 2012) – Assistant Professor, Auburn University (2004 – 2008) – Visiting Lecturer, Auburn University (2002 – 2003)

Where is Denmark?

A Few Facts about Denmark

Constitutional Monarchy A little smaller than the state of Alabama (not including Greenland) Population approximately 5500000.

National sport – SOCCER!

Where I moved to go to college My hometown

My Research Interests

•

Computer Aided Process Engineering

– Property prediction & CAMD for solvent selection/design – Process modeling and simulation

•

Process/Product Synthesis and Design

– Develop novel efficient methods for emerging problems – Develop strategies for simultaneous solution – Systematic identification/generation of alternatives

•

Process Integration and Optimization

– Application of holistic methods to ensure sustainability – Fuels reforming and biorefinery optimization

Class Overview 1:3

• • • Lectures (Start Today)

– Tuesday 9:30 – 10:20 AM (Ross Hall 136) – Additional recitation lectures during lab sessions

Labs (Start Today)

– Sections • • • I: Tuesday & Thursday 11:00 AM - 12:20 PM (Ross 306) II: Tuesday & Thursday 6:30 PM - 7:45 PM (Ross 306) Large part of labs consist of multimedia based instruction • Headphones are available upon request

Homework

– Assigned for both lecture and lab parts – Some homework assignments can/should be solved using Aspen

Class Overview 2:3

• Teaching Assistants

– Dr. Zheng Liu • • Office hours: Wed. 1:00–3:00 PM Ross 349 – Ms. Zhelun Li • • Office hours: TBA Location TBA Mr. Alexander Kelly Office hours: TBA Location: TBA

• Course Materials

– Textbook • Seider, W.D., J.D. Seader, D.R. Lewin, S. Widagdo “Product and Process Design Principles”, 3rd edition Wiley (2008).

• Eden, M. R. "ASPEN Lab Notes", Auburn University (Posted as PDF on class webpage).

Class Overview 3:3

• Grading

– Simulation Project (10%) – Homework (10%) – Midterm (30%) – Final exam (50%)

• Instructors Office Hours

– Official: Tuesday 1:00 – 3:00 PM – Reality: Any time the door is open

Tentative Class Schedule

Date

8/21 8/28 9/4 9/11 9/18 9/25 10/2 10/9 10/16 10/23 10/30 11/6 11/13 11/20 11/27 12/3

Topic #1:

Course Introduction and Overview  Introducing Simulation Multimedia Package  Introducing Design and Synthesis Process

#2:

Process Creation  Preliminary Database Creation  Preliminary Process Synthesis  Development of Base-Case Design

#3:

Heuristics for Process Synthesis  Chemical Reaction  Mixing and Recycle    Separation Temperature, Pressure and Phase Change Task Integration

#4:

Algorithmic Methods for Process Synthesis – Part I  Reactor Design and Reactor Network Synthesis  Synthesis of Separation Trains

#5:

Algorithmic Methods for Process Synthesis – Part II  Sequencing of Ordinary Distillation Columns

#6:

Review of Thermodynamics of Non-Ideal Mixtures  Azeotropy  Residue Curves  Distillation Boundaries

#7:

Algorithmic Methods for Process Synthesis – Part III  Separation of Non-Ideal Mixtures Review for Midterm Exam Midterm Exam

#8:

Mathematical Optimization  Solution of LP, NLP, MILP, MINLP  Introducing LINGO Solver Software

#9:

Heat and Power Integration - Targeting  Temperature Interval Method  Composite Curve Method  Thermal Pinch Analysis AIChE Annual Meeting, Pittsburgh, PA

#10 :

Heat and Power Integration – Network Design  Maximum Energy Recovery Networks Class Review Thanksgiving Holiday Class Review Final Exam (8:00 – 10:30 AM)

Reading

SSLW Chapter 1 Pages 1-31 SSLW Chapter 4 Pages 77-94, 101-109 SSLW Chapter 6 Pages 152-180 SSLW Chapter 7+8 Pages 181-216 SSLW Chapter 8 Pages 216-223 SSLW Chapter 8 Pages 223-230 SSLW Chapter 8 Pages 230-251 SSLW Chapter 24 Pages 642-661 SSLW Chapter 9 Pages 252-261 SSLW Chapter 9 Pages 261-280

Homework Due #1:

8.1, 8.2, 8.3

#2:

8.14b-d, 8.15

#3:

24.1 + Handout

#4:

9.1, 9.2

Tentative Lab Schedule

Week

1 2 3 4 5 6 7

Week

8

Dates

8/16 8/21, 8/23 8/28, 8/30 9/4, 9/6 9/11, 9/13 9/18, 9/20 9/25, 9/27

Dates

10/2, 10/4

Lecture and Multimedia Material

No labs MM: Principles of Flowsheet Simulation  Getting Started in Aspen o Brief Introduction o Setting Up o Sample Problem

SSLW Chapter 5, pp. 110-120

MM: Principles of Flowsheet Simulation  Getting Started in Aspen o

SSLW Chapter 5, pp. 120-131 Lab Recitation Lecture #1

 Heuristics for Process Synthesis MM: Pumps, Compressors and Expanders  Overview o Pumps o Compressors and Expanders MM: Heat Exchangers  Overview o Introduction o Heat Requirement Models o Shell-and-Tube HX o Multiple-Stream HX MM: Separators  Overview o Phase Equil. And Flash MM: Physical Property Estimation  Overview o Property Estimation  Phase Equilibria  Equil. Diagrams  Property Data Regression

Lab Recitation Lecture #2

 Separation Trains MM: Separators  Overview o Introduction o o o Convergence Split-Fraction Model (SEP2) Phase Equil. and Flash Distillation

Lecture and Multimedia Material Lab Recitation Lecture #3+4

 Azeotropic Distillation  Choosing Property Models MM: Physical Property Estimation  Property Package Selection

Computer Exercises

MM: Tutorials  Material and Energy Balances o Ammonia/Water Separation MM: Tutorials  Material and Energy Balances o Ethylchloride Manufacture

Homework #1 (Due Week 4 in lab)

 Exercise A.1 (Aspen Notes)

Homework #2 (Due Week 6 in lab)

 Exercise B.1 (Aspen Notes)  Exercise B.2 (Aspen Notes)  Exercise B.3 (Aspen Notes) MM: Tutorials  Heat Transfer o Toluene Manufacture MM: Tutorials  Separation Principles o Flash and Distillation  Flash  Distillation

Computer Exercises Homework #3 (Due Week 9 in lab)

 Exercise D.1 (Aspen Notes)

Week

8 9 10

Dates

10/2, 10/4 10/9, 10/11 10/16, 10/18

Lecture and Multimedia Material Lab Recitation Lecture #3+4

 Azeotropic Distillation  Choosing Property Models MM: Physical Property Estimation  Property Package Selection MM: Chemical Reactors  Overview o Introduction o Stoichiometric Reactors o o o Equilibrium Reactors PFR CSTR

Lab Recitation Lecture #5

 Introducing LINGO

Lab Recitation Lecture #6

Solution for Midterm Exam 11 12 13 14 15 16 10/23, 10/25 10/30, 11/1 11/6, 11/8

Lab Recitation Lecture #7

 Simulation Project Overview  Preparing Reports

Lab Recitation Lecture #8

 Heat Integration 11/13, 11/15 11/20, 11/22 11/27, 11/29

Homework #3 (Due Week 9 in lab)



Computer Exercises

Exercise D.1 (Aspen Notes) MM: Tutorials  Reactor Design Principles o Overview  Theory  Setting Up Reactors MM: Tutorials  Reactor Design Principles o Ammonia Converter

Homework (Due 10/23 in class)

 SSLW 24.1  Problems in Handout

Homework #4 (Due Week 12 in lab)

 Exercise E.1 (Aspen Notes)

Simulation Project

 Report due 11/29  Build Steady State Simulation

Simulation Project

 Finalize Initial Simulation  Perform Integration Analysis

Simulation Project

 Simulate Integrated Process Thanksgiving Holiday

Simulation Project

 Finalize Report MM: Multimedia material to review using headphones at your own pace.

MM Tutorials: Perform simulation while following multimedia presentation.

Multimedia 1:2

Choice of Simulator Software

• Aspen Plus • Hysys • Matlab

Multimedia 2:2

Contents Navigation

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.

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

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: – petrochemicals – petroleum products – industrial gases – foods – pharmaceuticals – polymers – coatings – electronic materials – bio-chemicals 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.

• • • •

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.

Steps in Product/Process Design

Initial Decision Concept & Feasibility Development & Manufacturing Product Introduction

•

Steps in Product/Process Design

Initial Decision

•

Steps in Product/Process Design

Concept & Feasibility

•

Steps in Product/Process Design

Development & Manufacturing

•

Steps in Product/Process Design

Product Introduction

Steps in Process Design

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

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

Steps in Process Design

PART I 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

Steps in Process Design

Steps in Process Design

Assess Primitive Problem

• • • Process design begins with a primitive design problem that expresses the

opportunity current situation

to satisfy a societal need.

and provides an – – – 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.

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.

vinyl chloride.

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

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

Steps in Process Design

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

Steps in Process Design

Steps in Process Design

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

Steps in Process Design

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).

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

• •

Safety Issues

Flammability Limits of Liquids and Gases LFL and UFL (vol %) in Air at 25 o C and 1 Atm Compound Acetylene Cyclohexane Ethylene Gasoline Hydrogen LFL (%) UFL (%) 2.5 100 1.3 2.7 8 36 1.4 4.0 7.6 75 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.

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.

Summary – The Design Process

• – – – – – – – Steps in Designing and Retrofitting Chemical Processes

Assess Primitive Problem – Covered Today (SSLW p. 1-31) Process Creation – Next Week (SSLW p. 77-94, 101-109)

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”

Final Comments

• – – – – – – – Capabilities upon Completion of this Class How to simulate complete flowsheets and predict their performance.

How to identify best achievable performance targets for a process WITHOUT detailed calculations.

How to systematically enhance yield, maximize profit, maximize resource conservation, reduce energy, and prevent pollution?

How to debottleneck a process?

How to choose units and screen their performance?

How to understand the BIG picture of a process and use it to optimize any plant?

And much more…..



Other Business

• – – – – Lab Starts today in Ross 306 Aspen notes are available online and could be made available for purchase at Engineering Duplicating Services if desired Headphones can be checked out with me or in the lab Multimedia software is located under “Chemical Engineering Apps” • – Next Lecture – August 28 Process Creation (SSLW p. 77-94, 101-109) • – Class Webpage http://wp.auburn.edu/eden/?page_id=75