Vapor-Liquid Equilibria Using Unifac

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.

PrefacesTable of ContentsChapter 1 Introduction 1.1 The Phase Equilibrium Problem 1.2 Origin and Range of Applicability of the UNIFAC Method 1.3 Organization of the BookChapter 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 CoefficientsChapter 3 Liquid Phase Nonideality 3.1 Calculation of Reference Fugacities 3.2 Activity CoefficientsChapter 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 ParametersChapter 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 ParametersChapter 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 EthanolChapter 7 Prediction of Vapor-Liquid Equilibria in Multicomponent SystemsChapter 8 Prediction of Phase-Splitting and Excess Enthalpy 8.1 Phase-Splitting 8.2 Excess EnthalpyChapter 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 SVIR PHIB YENWO GAUSL MLMEN BIJ Thermodynamic Consistency TestAppendix 2 UNIFAC Programs UNIFA SYSTM GRES GREF GCOMB HCON Calculation of Activity Coefficients Prediction of Liquid-Liquid Equilibrium UNIQUAC Parameters from UNIFACAppendix 3 Parameter Estimation ProgramAppendix 4 Distillation Programs Full Version Simplified VersionAppendix 5 List of Phase Equilibrium Data used in the Determination of UNIFAC ParametersNomenclature