Aspen Plus

Kamal I. M. Al-Malah received his PhD degree from Oregon State University in 1993. He served as a Professor of Chemical Engineering in Jordan and other Gulf countries, as well as Former Chairman of the Chemical Engineering Department at the University of Hail in Saudi Arabia. Professor Al-Malah is an expert in both Aspen Plus® and MATLAB® applications. He has created a bundle of Windows-based software for engineering applications.

Ch1. Introducing Aspen Plus

1.1 What does ASPEN stand for?

1.2 What is Aspen Plus Process Simulation Model?

1.3 Launching Aspen Plus V12.0

1.4 Beginning a Simulation

1.5 Entering Components

1.6 Specifying the Property Method

1.7 Improvement of the Property Method Accuracy

1.8 File Saving

1.9 Exercise 1.1

1.10 Good Flowsheeting Practice

1.11 Aspen Plus Built-in Help

1.12 For More Information

1.13 Home/Class Work 1.1 (Pxy)

1.14 Home/Class Work 1.2 (Gmix)

1.15 Home/Class Work 1.3 (Likes Dissolve Likes) as Envisaged by NRTL Property Method

1.16 Home/Class Work 1.4 (The Mixing Rule)

Ch2. More on Aspen Plus Flowsheet Features (1)

2.1 Problem Description

2.2 Entering and Naming Compounds

2.3 Binary Interactions

2.4 The “Simulation” Environment: Activation Dashboard

2.5 Placing a Block and Material Stream from Model Palette

2.6 Block and Stream Manipulation

2.7 Data Input, Project Title, & Report Options

2.8 Running the Simulation

2.9 The Difference among Recommended Property Methods

2.10 NIST/TDE Experimental Data

2.11 Home-/Class-Work 2.1 (Water-Alcohol System)

2.12 Home-/Class-Work 2.2 (Water-Acetone-EIPK System with NIST/DTE Data)

2.13 Home-/Class-Work 2.3 (Water-Acetone-EIPK System without NIST/DTE Data)

Ch3. More on Aspen Plus Flowsheet Features (2)

3.1 Problem Description: Continuation to Chapter Two Problem

3.2 The Clean Parameters Step

3.3 Simulation Results Convergence

3.4 Adding Stream Table

3.5 Property Sets

3.6 Adding Stream Conditions

3.7 Printing from Aspen Plus

3.8 Viewing the Input Summary

3.9 Report Generation

3.10 Stream Properties

3.11 Adding a Flash Separation Unit

3.12 The Required Input for “Flash3”-Type Separator

3.13 Running the Simulation and Checking the Results

3.14 Home-/Class-Work 3.1 (Output of Input Data & Results)

3.15 Home-/Class-Work 3.2 (Output of Input Data & Results)

3.16 Home-/Class-Work 3.3 (Output of Input Data & Results)

3.17 Home-/Class-Work 3.4 (The Partition Coefficient of a Solute)

Ch4. Flash Separation & Distillation Columns

4.1 Problem Description

4.2 Adding a Second Mixer and Flash

4.3 Design Specifications Study

4.4 Exercise 4.1 (Design Spec)

4.5 Aspen Plus Distillation Column Options

4.6 “DSTWU” Distillation Column

4.7 “Distl” Distillation column

4.8 “RadFrac” Distillation Column

4.9 Home/Class Work 4.1 (Water-Alcohol System)

4.10 Home/Class Work 4.2 (Water-Acetone-EIPK System with NIST/DTE Data)

4.11 Home/Class Work 4.2 (Water-Acetone-EIPK System without NIST/DTE Data)

4.12 Home/Class Work 4.4 (Scrubber)

Ch5. Liquid-Liquid Extraction Process

5.1 Problem Description

5.2 The Proper Selection for Property Method for Extraction Processes

5.3 Defining New Property Sets

5.4 Property Method Validation versus Experimental Data Using Sensitivity Analysis

5.5 A Multi-Stage Extraction Column

5.6 The Triangle Diagram

5.7 References

5.8 Home/Class Work 5.1 (Separation of MEK from Octanol)

5.9 Home/Class Work 5.2 (Separation of MEK from Water Using Octane)

5.10 Home/Class Work 5.3 (Separation of Acetic Acid from Water Using Iso-Propyl Butyl Ether)

5.11 Home/Class Work 5.4 (Separation of Acetone from Water Using Tri-Chloro-Ethane)

5.12 Home/Class Work 5.5 (Separation of Propionic Acid from Water Using MEK)

Ch6. Reactors with Simple Reaction Kinetic Forms

6.1 Problem Description

6.2 Defining Reaction Rate Constant to Aspen Plus Environment

6.3 Entering Components and Method of Property

6.4 The Rigorous Plug Flow Reactor (RPLUG)

6.5 Reactor and Reaction Specifications for RPLUG (PFR)

6.6 Running the Simulation (PFR Only)

6.7 Exercise 6.1

6.8 Compressor (CMPRSSR) and RadFrac Rectifying Column (RECTIF)

6.9 Running the Simulation (PFR + CMPRSSR + RECTIF)

6.10 Exercise 6.2

6.11 RadFrac Distillation Column (DSTL)

6.12 Running the Simulation (PFR + CMPRSSR + RECTIF+DSTL)

6.13 Reactor and Reaction Specifications for RCSTR

6.14 Running the Simulation (PFR + CMPRSSR + RECTIF+DSTL+RCSTR)

6.15 Exercise 6.3

6.16 Sensitivity Analysis: The Reactor’s Optimum Operating Conditions

6.17 References

6.18 Home/Class Work 6.1 (Hydrogen Peroxide Shelf-Life)

6.19 Home/Class Work 6.2 (Esterification Process)

6.20 Home/Class Work 6.3 (Liquid-Phase Isomerization of n-Butane)

Ch7. Reactors with Complex (Non-Conventional) Reaction Kinetic Forms

7.1 Problem Description

7.2 Non-Conventional Kinetics: LHHW Type Reaction

7.3 General Expressions for Specifying LHHW Type Reaction in Aspen Plus

7.3.1 The “Driving Force” for the Non-Reversible (Irreversible) Case

7.3.2 The “Driving Force” for the Reversible Case

7.3.3 The “Adsorption Expression”

7.4 The Property Method: “SRK”

7.5 RPLUG Flowsheet for Methanol Production

7.6 Entering Input Parameters

7.7 Defining Methanol Production Reactions as LHHW Type

7.8 Sensitivity Analysis: Effect of Temperature and Pressure on Selectivity

7.9 References

7.10 Home/Class Work 7.1 (Gas-Phase Oxidation of Chloroform)

7.11 Home/Class Work 7.2 (Formation of Styrene from Ethyl-Benzene)

7.12 Home/Class Work 7.3 (Combustion of Methane over Steam-Aged Pt-Pd Catalyst)

Ch8. Pressure Drop, Friction Factor, NPSHA, and Cavitation

8.1 Problem Description

8.2 The Property Method: “STEAMNBS”

8.3 A Water Pumping Flowsheet

8.4 Entering Pipe, Pump, & Fittings Specifications

8.5 Results: Frictional Pressure Drop, the Pump Work, Valve Choking, and ANPSH versus RNPSH

8.6 Exercise 8.1

8.7 Model Analysis Tools: Sensitivity for the Onset of Cavitation or Valve Choking Condition

8.8 References

8.9 Home/Class Work 8.1 (Pentane Transport)

8.10 Home/Class Work 8.2 (Glycerol Transport)

8.11 Home/Class Work 8.3 (Air Compression)

Ch9. The Optimization Tool

9.1 Problem Description: Defining the Objective Function

9.2 The Property Method: “STEAMNBS”

9.3 A Flowsheet for Water Transport

9.4 Entering Stream, Pump, and Pipe Specifications

9.5 Model Analysis Tools: The Optimization Tool

9.6 Model Analysis Tools: The Sensitivity Tool

9.7 Last Comments

9.8 References

9.9 Home/Class Work 9.1 (Swamee-Jain Equation)

9.10 Home/Class Work 9.2 (A Simplified Pipe Diameter Optimization)

9.11 Home/Class Work 9.3 (The Optimum Diameter for a Viscous Flow)

9.12 Home/Class Work 9.4 (The Selectivity of Parallel Reactions)

Ch10. Heat Exchanger (H.E.) Design

10.1 Problem Description

10.2 Types of Heat Exchanger Models in Aspen Plus

10.3 The Simple Heat Exchanger Model (“Heater”)

10.4 The Rigorous Heat Exchanger Model (“HeatX”)

10.5 The Rigorous Exchanger Design and Rating (EDR) Procedure

10.5.1 The EDR Exchanger Feasibility Panel

10.5.2 The Rigorous Mode within the “HeatX” Block

10.6 General Footnotes on EDR Exchanger

10.7 References

10.8 Home/Class Work 10.1 (Heat Exchanger with Phase Change)

10.9 Home/Class Work 10.2 (High Heat Duty Heat Exchanger)

10.10 Home/Class Work 10.3 (Design Spec Heat Exchanger)

Ch11. Electrolytes

11.1 Problem Description: Water De-Souring

11.2 What is an Electrolyte?

11.3 The Property Method for Electrolytes

11.4 The Electrolyte Wizard

11.5 Water De-Souring Process Flowsheet

11.6 Entering the Specifications of Feed Streams and the Stripper

11.7 Appendix: Development of “ELECNRTL” Model

11.8 References

11.9 Home/Class Work 11.1 (An Acidic Sludge Neutralization)

11.10 Home/Class Work 11.2 (CO2 Removal from Natural Gas)

11.11 Home/Class Work 11.3 (pH of Aqueous Solutions of Salts)

Ch12. Polymerization Processes

12.1 The Theoretical Background

12.1.1 Polymerization Reactions

12.1.2 Catalyst Types

12.1.3 Ethylene Process Types

12.1.4 Reaction Kinetic Scheme

12.1.5 Reaction Steps

12.1.6 Catalyst States

12.2 High-Density Poly-Ethylene (HDPE) High Temperature Solution Process

12.2.1 Problem Definition

12.2.2 Process Conditions

12.3 Creating Aspen Plus Flowsheet for HDPE

12.4 Improving Convergence

12.5 Presenting the Property Distribution of Polymer

12.6 Home/Class Work 12.1 (Maximizing the Degree of HDPE Polymerization)

12.7 Home/Class Work 12.2 (Styrene Acrylo-Nitrile (SAN) Polymerization)

12.8 References

12.9 Appendix A: The Main Features & Assumptions of Aspen Plus Chain Polymerization Model

12.9.1 Polymerization Mechanism

12.9.2 Co-polymerization Mechanism

12.9.3 Rate Expressions

12.9.4 Rate Constants

12.9.5 Catalyst Pre-Activation

12.9.6 Catalyst Site Activation

12.9.7 Site Activation Reactions

12.9.8 Chain Initiation

12.9.9 Propagation

12.9.10 Chain Transfer to Small Molecules

12.9.11 Chain Transfer to Monomer

12.9.12 Site Deactivation

12.9.13 Site Inhibition

12.9.14 Co-Catalyst Poisoning

12.9.15 Terminal Double Bond Polymerization

12.9.16 Phase Equilibria

12.9.17 Rate Calculations

12.9.18 Calculated Polymer Properties

12.10 Appendix B: The Number Average Molecular Weight (MWN) and Weight Average Molecular Weight (MWW)

Ch13. Characterization of Drug-Like Molecules Using Aspen Properties

13.1 Introduction

13.2 Problem Description

13.3 Creating Aspen Plus Pharmaceutical Template

13.3.1 Entering the User-Defined Benzamide (BNZMD-UD) as Conventional

13.3.2 Specifying Properties to Estimate

13.4 Defining Molecular Structure of BNZMD-UD

13.5 Entering Property Data

13.6 Contrasting Aspen Plus Databank (BNZMD-DB) versus BNZMD-UD

13.7 References

13.8 Home/Class Work 13.1 (Vanillin)

13.9 Home/Class Work 13.2 (Ibuprofen)

Ch14. Solids Handling

14.1 Introduction

14.2 Problem Description #1: The Crusher

14.3 Creating Aspen Plus Flowsheet

14.3.1 Entering Components Information

14.3.2 Adding the Flowsheet Objects

14.3.3 Defining the Particle Size Distribution (PSD)

14.3.4 Calculation of the Outlet PSD

14.4 Exercise 14.1: (Determine Crusher Outlet PSD from Comminution Power)

14.5 Exercise 14.2: (Specifying Crusher Outlet PSD)

14.6 Problem Description #2: The Fluidized Bed for Alumina Dehydration

14.7 Creating Aspen Plus Flowsheet

14.7.1 Entering Components Information

14.7.2 Adding the Flowsheet Objects

14.7.3 Entering Input Data

14.7.4 Results

14.8 Exercise 14.3: (Re-Converging the Solution for an Input Change)

14.9 References

14.10 Home/Class Work 14.1 (KCl Drying)

14.11 Home/Class Work 14.2 (KCl Crystallization)

14.12 APPENDIX A: Solids Unit Operations

14.12.1 Unit Operation Solids Models

14.12.2 Solids Separators Models

14.12.3 Solids Handling Models

14.13 APPENDIX B: Solids Classification

14.14 APPENDIX C: Predefined Stream Classification

14.15 APPENDIX D: Substream Classes

14.16 APPENDIX E: Particle Size Distribution (PSD)

14.17 APPENDIX F: Fluidized Beds

Ch15. Aspen Plus Dynamics

15.1 Introduction

15.2 Problem Description

15.3 Preparing Aspen Plus Simulation for Aspen Plus Dynamics (APD)

15.4 Conversion of Aspen Plus Steady-State into Dynamic Simulation

15.4.1 Modes of Dynamic CSTR Heat Transfer

15.4.2 Creating Pressure-Driven Dynamic Files for APD

15.5 Opening a Dynamic File Using APD

15.6 The “Simulation Messages” Window

15.7 The Running Mode: Initialization

15.8 Adding Temperature Control (TC) Unit

15.9 Snapshots Management for Captured Successful Old Runs

15.10 The Controller Faceplate

15.11 Communication Time for Updating/Presenting Results

15.12 The Closed-Loop Auto-Tune Variation (ATV) Test versus Open-Loop Tune-Up Test

15.13 The Open-Loop (Manual Mode) Tune-Up for Liquid Level Controller

15.14 The Closed-Loop Dynamic Response for Liquid Level Load Disturbance

15.15 The Closed-Loop Dynamic Response for Liquid Level Set-Point Disturbance

15.16 Accounting for Dead/Lag Time in Process Dynamics

15.17 The Closed-Loop (Auto Mode) ATV Test for Temperature Controller (TC)

15.18 The Closed-Loop Dynamic Response: “TC” Response to Temperature Load Disturbance

15.19 Interactions between “LC” and “TC” Control Unit

15.20 The Stability of a Process without Control

15.21 The Cascade Control

15.22 Monitoring of Variables as Functions of Time

15.23 Final Notes on the Virtual (Dry) Process Control in APD

15.24 References

15.25 Home/Class Work 15.1 (A Cascade Control of a Simple Water Heater)

15.26 Home/Class Work 15.2 (A CSTR Control with “LMTD” Heat Transfer Option)

15.27 Home/Class Work 15.3 (A PFR Control for Ethyl-Benzene Production)

Ch16. Safety & Energy Aspects of Chemical Processes

16.1 Introduction

16.2 Problem Description

16.3 The “Safety Analysis” Environment

16.4 Adding a Pressure Safety Valve (PSV)

16.5 Adding a Rupture Disk (RD)

16.6 Presentation of Safety-Related Documents

16.7 Preparation of Flowsheet for “Energy Analysis” Environment

16.8 The “Energy Analysis” Activation

16.9 The “Energy Analysis” Environment

16.10 The Aspen Energy Analyzer

16.11 Home/Class Work 16.1 (Adding a Storage Tank Protection)

16.12 Home/Class Work 16.2 (Separation of C2/C3/C4 Hydrocarbon Mixture)

Ch17. Aspen Process Economic Analyzer (APEA)

17.1 Optimized Process Flowsheet for Acetic Anhydride Production

17.2 Costing Options in Aspen Plus

17.2.1 Aspen Process Economic Analyzer (APEA) Estimation Template

17.2.2 Feed and Product Stream Prices

17.2.3 Utility Association with a Flowsheet Block

17.3 The First Route for Chemical Process Costing

17.4 The Second Route for Chemical Process Costing

17.4.1 Project Properties

17.4.2 Loading Simulator Data

17.4.3 Mapping and Sizing

17.4.4 Project Evaluation

17.4.5 Fixing Geometrical Design-Related Errors

17.4.6 Executive Summary

17.4.7 Capital Costs Report

17.4.8 Investment Analysis

17.5 Home/Class Work 17.1 (Feed/Product Unit Price Effect on Process Profitability)

17.6 Home/Class Work 17.2 (Using European Economic Template)

17.7 Home/Class Work 17.3 (Process Profitability of Acetone Recovery from Spent Solvent)

17.8 Appendix

17.8.1 Net Present Value (NPV) for a Chemical Process Plant

17.8.2 Discounted Payout (Payback) Period (DPP)

17.8.3 Profitability Index

17.8.4 Internal Rate of Return (IRR)

17.8.5 Modified Internal Rate of Return (MIRR)

Ch18. Term Projects (TP) 

18.1 What is Aspen Custom Modeler

18.2 Main Feature of ACM

18.3 Modeling and Simulation of a Simple Constant-Temperature Mixing Tank

18.4 Modeling and Simulation of a non-Isothermal Mixing Tank

18.5 Modeling and Simulation of a Flash Drum

18.6 Modeling and Simulation of Heat Slab

18.7 Modeling and Simulation of an Absorber

18.8 Modeling and Simulation of a Jacketed Reactor

18.9 Modeling and Simulation of a Heat Exchanger

18.10 Merging of ACM models into AP Model Palette

Ch19. Aspen Custom Modeler (ACM)

19.1 TP #1: Production of Acetone via the Dehydration of Iso-Propanol

19.2 TP #2: Production of Formaldehyde from Methanol (Sensitivity Analysis)

19.3 TP #3: Production of Di-Methyl Ether (Process Economics & Control)

18.3.1 Economic Analysis

18.3.2 Process Dynamics & Control

19.4 TP #4: Production of Acetic Acid via Partial Oxidation of Ethylene Gas

19.5 TP #5: Pyrolysis of Benzene

19.6 TP #6: Re-Use of Spent Solvents

19.7 TP#7: Solids Handling: Production of Potassium Sulfate from Sodium Sulfate

19.8 TP #8: Solids Handling: Production of CaCO3-Based Agglomerate as a General Additive

19.9 TP #9: Solids Handling: Formulation of Di-Ammonium Phosphate and Potassium Nitrate Blend Fertilizer

19.10 TP #10: “Flowsheeting Options” | “Calculator”: Gas De-Souring and Sweetening Process

19.11 TP #11: Using More Than One Property Method and Stream Class: Solid Catalyzed Direct Hydration of Propylene to Iso-Propyl Alcohol (IPA)

19.12 TP #12: Polymerization: Production of Poly-Vinyl Acetate (PVAC)

19.13 TP #13: Polymerization: Emulsion Copolymerization of Styrene and Butadiene to Produce SBR

19.14 TP #14: Polymerization: Free Radical Polymerization of Methyl-Methacrylate to Produce Poly (Methyl Methacrylate)

19.15 TP #15: LHHW Kinetics: Production of Cyclo-Hexanone-Oxime (CYCHXOXM) via Cyclo-Hexanone Ammoximation Using Clay-Based Titanium Silicalite (TS) Catalyst