Introduction to Supercritical Fluids

Introduction to Supercritical Fluids

A Spreadsheet-based Approach

1st Edition - November 1, 2013

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  • Authors: Richard Smith, Hiroshi Inomata, Cor Peters
  • eBook ISBN: 9780080931302
  • Hardcover ISBN: 9780444522153

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This text provides an introduction to supercritical fluids with easy-to-use Excel spreadsheets suitable for both specialized-discipline (chemistry or chemical engineering student) and mixed-discipline (engineering/economic student) classes. Each chapter contains worked examples, tip boxes and end-of-the-chapter problems and projects. Part I covers web-based chemical information resources, applications and simplified theory presented in a way that allows students of all disciplines to delve into the properties of supercritical fluids and to design energy, extraction and materials formation systems for real-world processes that use supercritical water or supercritical carbon dioxide. Part II takes a practical approach and addresses the thermodynamic framework, equations of state, fluid phase equilibria, heat and mass transfer, chemical equilibria and reaction kinetics of supercritical fluids. Spreadsheets are arranged as Visual Basic for Applications (VBA) functions and macros that are completely (source code) accessible for students who have interest in developing their own programs. Programming is not required to solve problems or to complete projects in the text.

Key Features

  • Property worksheets/spreadsheets that are easy to use in learning environments
  • Worked examples with Excel VBA Worksheet functions allow users to design their own processes
  • Fluid phase equilibria and chemical equilibria worksheets allow users to change conditions, study new solutes, co-solvents, chemical systems or reactions


Students, graduates and researchers in chemistry, chemical engineering and materials science

Table of Contents

  • List of Examples

    List of Tip Boxes



    Chapter 1. Chemical Vocabulary and Essentials

    1.1 Philosophy of the Text

    1.2 Organization of the text

    1.3 Basic Words

    1.4 Some Notes on Pressure

    1.5 Chapter Summary

    1.6  Suggested Reading and References

    Chapter 2. Systems, Devices and Processes

    2.1 Material, Energy, and Entropy Balances

    2.2 Analysis of Devices and Processes

    2.3 Practical Process I: Transcritical CO2 System for Heating Hot Water

    2.4 Practical Process II: Flavor Extraction with Supercritical CO2

    2.5 Practical Process III: Fine Particle Formation with Supercritical H2O

    2.6 Chapter Summary

    2.7  Suggested Reading and References

    Chapter 3. Chemical Information and Know-How

    3.1 Sources of Chemical Information

    3.2 Chemical Property Databases

    3.3 Chemical Property Databases: Nonreference Substances

    3.4 Chemical Literature Databases

    3.5 Bibliometrics

    3.6 Chapter Summary

    3.7  Suggested Additional Reading and References

    Chapter 4. Historical Background and Applications

    4.1 Historical Background

    4.2 Characteristic Properties Common to All Supercritical Fluids

    4.3 Extraction with Supercritical CO2

    4.4 Commercial Food Products

    4.5 Methods for Improving Yield and Modifying Selectivity

    4.6 Dietary Supplements

    4.7 Green Chemistry with Supercritical CO2

    4.8 Polymer Synthesis

    4.9 Separations

    4.10 Characteristic Features of Water

    4.11 Commercial Chemical and Waste Recycling Processes

    4.12 Commercial Hydrothermal and Supercritical Oxidation Processes

    4.13 Particle Formation

    4.14 Coating and Film Deposition

    4.15 Polymer Processing

    4.16 Food Processing

    4.17 Chromatography

    4.18 Gas-Expanded Liquids (GXLs)

    4.19 List of Companies Involved with Supercritical Fluids

    4.20 Chapter Summary

    4.21 References and Suggested Reading

    Chapter 5. Underlying Thermodynamics and Practical Expressions

    5.1 Introduction

    5.2 Thermodynamic State Functions

    5.3 Material, Energy, and Entropy Balances

    5.4 Thermodynamic Systems

    5.5 Basic Thermodynamic Relationships

    5.6 Fugacity

    5.7 Phase Stability

    5.8 Practical Criteria

    5.9 Practical Expressions

    5.10 Chapter Summary

    5.11. References and Suggested Reading

    Chapter 6. Equations of State and Formulations for Mixtures

    6.1 Overview

    6.2 Calculation of CO2 Properties with Excel VBA Functions

    6.3 Calculation of H2O Properties with Excel VBA Functions

    6.4 Mathematically Simple EoS

    6.5 Cubic EoS

    6.6 Pure Component Fugacity from a Cubic EoS

    6.7 Application of Cubic EoS to Mixtures

    6.8 Modern Cubic EoS Formulations

    6.9 Huron–Vidal Concept of Relating EoS Constants to Solution Models

    6.10 Specialized EoS

    6.11 Chapter Summary

    6.12  Suggested References and Reading

    Chapter 7. Phase Equilibria and Mass Transfer

    7.1 Overview

    7.2 Solid–Vapor Equilibria

    7.3 Solid–Liquid–Vapor Equilibria

    7.4 Vapor–Liquid Equilibria

    7.5 Numerical Solution Method for VLE

    7.6 Critical Points of Mixtures

    7.7 Numerical Solution Method for Critical Points of Mixtures

    7.8 Visualization

    7.9 van Konynenburg and Scott Classification

    7.10 Mass Transfer

    7.11 Chapter Summary

    7.12  Selected References and Recommended Reading

    Chapter 8. Heat Transfer and Finite-Difference Methods

    8.1 Overview

    8.2 Heat Exchangers

    8.3 Equations for the Heat Transfer Modes

    8.4 Fluid Physical Properties

    8.5 Analysis of Shell-and-Tube Heat Exchangers

    8.6 Estimation of Heat Exchanger Area

    8.7 Equations of Change

    8.8 Chapter Summary

    8.9 Selected References and Recommended Reading

    Chapter 9. Chemical Equilibria and Reaction Kinetics

    9.1 Overview

    9.2 Thermochemistry

    9.3 Chemical Equilibria from image

    9.4 Le Châtelier's Principle

    9.5 Calculation of Chemical Equilibrium

    9.6 Chemical Reactors

    9.7 Flow Reactor at Constant P and image

    9.8 Reaction Enthalpy from an EoS

    9.9 Reaction Kinetics

    9.10 Partial Oxidation of p-Xylene in Supercritical Water

    9.11 Chapter Summary

    9.12  Suggested Additional Reading and References

    Chapter 10. Conclusions and Suggestions for Further Study

    10.1 Conclusions

    10.2 Suggestions for Future Study

    References and Suggested Reading


    Appendix A Guide to Visual Basic for Applications (VBA) in Excel

    Appendix B Guide to Importing Data into 3D Grapher

    Appendix C Partial List of Excel Worksheets


Product details

  • No. of pages: 752
  • Language: English
  • Copyright: © Elsevier Science 2013
  • Published: November 1, 2013
  • Imprint: Elsevier Science
  • eBook ISBN: 9780080931302
  • Hardcover ISBN: 9780444522153

About the Authors

Richard Smith

Richard L. Smith, Jr., Ph.D in Chemical Engineering, Georgia Institute of Technology, Asia Regional Editor of The Journal of Supercritical Fluids. Hi is the author of more than 150 scientific papers related to properties, separations and materials with supercritical fluids.

Affiliations and Expertise

Research Center of Supercritical Fluid Technology, Tohoku University, Japan

Hiroshi Inomata

Hiroshi Inomata, Doctor of Engineering, Tohoku University, Director of the Research Center of Supercritical Fluid Technology. Dr Inomata is the author of more than 150 scientific papers related to thermodynamics, phase equilibria and molecular simulation of supercritical fluids.

Affiliations and Expertise

Research Center of Supercritical Fluid Technology, Tohoku University, Japan

Cor Peters

Cor J. Peters, Ph.D. in Chemical Engineering, Delft University of Technology is the author of more than 250 scientific papers related to high pressure phase behavior and separations with supercritical fluids.

Affiliations and Expertise

Distinguished Professor, Petroleum Institute, Chemical Engineering Department, Abu Dhabi, United Arab Emirates

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