Using Aspen Plus in Thermodynamics Instruction: A Step–by–Step Guide

A step–by–step guide for students (and faculty) on the use of Aspen in teaching thermodynamics

Used for a wide variety of important engineering tasks, Aspen Plus software is a modeling tool used for conceptual design, optimization, and performance monitoring of chemical processes. After more than twenty years, it remains one of the most popular and powerful chemical engineering simulation programs used both industrially and academically.

Using Aspen Plus in Thermodynamics Instruction: A Step by Step Guide introduces the reader to the use of Aspen Plus in courses in thermodynamics. It provides the reader with a self–study, step–by–step guide to doing thermodynamic calculations in Aspen Plus (Version 8.x). This is done by providing actual screen shots of the Aspen Plus interface to solve example problems of specific types, including vapor–liquid, liquid–liquid, vapor–liquid–liquid and chemical reaction equilibria, and simple applications to liquefaction, distillation and liquid–liquid extraction. Using Aspen Plus in Thermodynamics Instruction features:

Easily–accessible modern computational techniques opening up new vistas in teaching thermodynamics

A range of applications of Aspen Plus in the prediction and calculation of thermodynamic properties      and phase behavior using the state–of–the art methods

Calculations and application examples in a step–by–step manner designed for out–of–classroom self               study

This book serves as a prelude to instruction in the more complex process simulation and provides a coherent approach to introducing the Aspen Plus simulator in undergraduate thermodynamics courses. Because it has been designed for self–study use, it is meant to be assigned to students to use out of class, and not as an in–class textbook. It does not attempt to teach the basics of thermodynamics; it stresses the application of thermodynamics to realistic problems.

Introduction

1. Getting Started with Aspen Plus

2. Two Simple Simulations

3. Properties Analysis Pure Compounds

4. NIST TDE

5. Vapor–Liquid Equilibrium with Activity CoefficientModels

5.1 Mixture Property Analysis

5.2 Simulation

5.3 Regression of vapor–liquid equilibrium data

6. Vapor–Liquid Equilibrium with Equations of State

6.1 Mixture Property Analysis

6.2 Simulation

6.3 Regression of vapor–liquid equilibrium data

7. Liquid–Liquid Equilibrium and Vapor–Liquid–Liquid EquilibriumRegression and Predictions

7.1 Liquid–Liquid Data Regression

7.2 Prediction of Liquid–Liquid and Vapor–Liquid–LiquidEquilibrium

8. Property Method Assistant and Property Estimation

8.1 The Property Method Assistant

8.2 A Concern on Choosing Thermodynamic Models in a ProcessSimulator

8.3 Property Estimation

8.4 Regression Infinite Dilution Activity Coefficient Data

9. Chemical Reaction Equilibrium: RGibbs

10. Short Cut Distillation Calculations: DSTWU

11. A Rigorous Distillation Calculation: RadFrac

12. Liquid–Liquid Extraction

13. Sensitivity Analysis: A Tool for RepetitiveCalculations

14. Electrolyte Solutions

Stanley I. Sandler is the H. B. du Pont Professor of Chemical Engineering, Department of Chemical and Biomolecular Engineering University of Delaware.  He is also the founding director of its Center for Molecular and Engineering Thermodynamics. He is the author of approximately 400 refereed papers, mostly on thermodynamics and several on education. He is the sole author of the popular textbook Chemical and Engineering Thermodynamics (first three editions) and now Chemical, Biochemical and Engineering Thermodynamics (4th edition), as well as the author or editor of 7 other books. He is the former editor of the AIChE Journal, a member of the U.S. National Academy of Engineering, and a fellow of the AIChE and the IChemE. In addition, he has received the Professional Progress, Warren K. Lewis, and Founders Awards from the AIChE and a number of international awards.

Preface vii

An Introduction for Students ix

1. Getting Started With Aspen Plus 1

Problems 9

2. Two Simple Simulations 10

Problems 34

3. Pure Component Property Analysis 36

Problems 55

4. The NIST ThermoData Engine (TDE) 56

Problems 64

5. Vapor–Liquid Equilibrium Calculations Using Activity Coefficient Models 66

5.1 Property Analysis Method 69

5.2 The Simulation Method 80

5.3 Regression of Binary VLE Data with Activity Coefficient Models 89

Problems 115

6. Vapor–Liquid Equilibrium Calculations Using an Equation of State 119

6.1 The Property Analysis Method 120

6.2 The Simulation Method 122

6.3 Regression of Binary VLE Data with an Equation of State 129

Problems 142

7. Regression of Liquid–Liquid Equilibrium (LLE) Data and Vapor–Liquid–Liquid Equilibrium (VLLE) and Predictions 144

7.1 Liquid–Liquid Data Regression 144

7.2 The Prediction of Liquid–Liquid and Vapor–Liquid–Liquid Equilibrium 158

7.3 High Pressure Vapor–Liquid–Liquid Equilibrium 167

Problems 173

8. The Property Methods Assistant and Property Estimation 175

8.1 The Property Methods Assistant 175

8.2 Property Estimation 182

8.3 Regressing Infinite Dilution Activity Coefficient Data 188

Problems 201

9. Chemical Reaction Equilibrium in Aspen Plus 203

Problems 229

10. Shortcut Distillation Calculations 233

Problems 250

11. A Rigorous Distillation Calculation: RadFrac 252

Problems 271

12. Liquid–Liquid Extraction 272

Problems 286

13. Sensitivity Analysis: A Tool for Repetitive Calculations 287

Problems 304

14. Electrolyte Solutions 305

Problems 337