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Vapor-Liquid Equilibria Using UNIFAC: A Group-Contribution Method focuses on the UNIFAC group-contribution method used in predicting quantitative information on the phase equilibria during separation by estimating activity coefficients. Drawing on tested vapor-liquid equilibrium data on which UNIFAC is based, it demonstrates through examples how the method may be used in practical engineering design calculations.
Divided into nine chapters, this volume begins with a discussion of vapor and liquid phase nonidealities and how they are calculated in terms of fugacity and activity coefficients, respectively. It then introduces the reader to the UNIFAC method and how it works, the procedure used in establishing the parameters needed for the model, prediction of binary and multicomponent vapor-liquid equilibria for a large number of systems, the potential of UNIFAC for predicting liquid-liquid equilibria, and how UNIFAC can be used to solve practical distillation design problems. This book will benefit process design engineers who want to reliably predict phase equilibria for designing distillation columns and other separation processes.
Table of Contents
Chapter 1 Introduction
1.1 The Phase Equilibrium Problem
1.2 Origin and Range of Applicability of the UNIFAC Method
1.3 Organization of the Book
Chapter 2 Vapor Phase Nonideality
2.1 Fugacity Coefficients from the Virial Equation
2.2 Second Virial Coefficients
2.3 Fugacity Coefficients from the Chemical Theory
2.4 Computer Program for Fugacity Coefficients
Chapter 3 Liquid Phase Nonideality
3.1 Calculation of Reference Fugacities
3.2 Activity Coefficients
Chapter 4 The UNIFAC Group-Contribution Method
4.1 The UNIFAC Model
4.2 Group Interaction Parameters
4.3 Sample Predictions
4.4 Temperature Dependence of the UNIFAC Parameters
4.5 Alternative UNIFAC Parameters for Alcohols
4.6 Additional UNIFAC Parameters
Chapter 5 Determination of UNIFAC Parameters
5.1 The Dortmund Data Bank
5.2 Thermodynamic Consistency
5.3 Calculation of Activity Coefficients from Mutual Solubility Data
5.4 Estimation of UNIFAC Parameters
Chapter 6 Prediction of Vapor-Liquid Equilibria in Binary Systems
6.1 Sample Results from the Data Correlation
6.2 Sample Predictions
6.3 Predictions for Systems Containing Ethanol
Chapter 7 Prediction of Vapor-Liquid Equilibria in Multicomponent Systems
Chapter 8 Prediction of Phase-Splitting and Excess Enthalpy
8.2 Excess Enthalpy
Chapter 9 Application of UNIFAC to Distillation Column Design
9.1 Multicomponent Distillation Calculations by Linearization
9.2 The Column Calculation Procedure
9.3 Examples of Distillation Calculations (Simplified Version)
9.4 Examples of Distillation Calculations (Full Version)
Appendix 1 Calculation of Fugacity and Activity Coefficients. The Consistency Test
Thermodynamic Consistency Test
Appendix 2 UNIFAC Programs
Calculation of Activity Coefficients
Prediction of Liquid-Liquid Equilibrium
UNIQUAC Parameters from UNIFAC
Appendix 3 Parameter Estimation Program
Appendix 4 Distillation Programs
Appendix 5 List of Phase Equilibrium Data used in the Determination of UNIFAC Parameters
- No. of pages:
- © Elsevier 1977
- 1st January 1977
- eBook ISBN:
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