Computer Methods in Chemical Engineering: 1st Edition (Paperback) book cover

Computer Methods in Chemical Engineering

1st Edition

By Nayef Ghasem

CRC Press

524 pages | 473 B/W Illus.

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While various software packages have become quite useful for performing unit operations and other kinds of processes in chemical engineering, the fundamental theory and methods of calculation must also be understood in order to effectively test the validity of these packages and verify the results. Computer Methods in Chemical Engineering presents the most commonly used simulation software, along with the theory involved. It covers chemical engineering thermodynamics, fluid mechanics, material and energy balances, mass transfer operations, reactor design, and computer applications in chemical engineering.

Through this book, students learn:

  • What chemical engineers do
  • The functions and theoretical background of basic chemical engineering unit operations
  • How to simulate chemical processes using software packages
  • How to size chemical process units manually and with software
  • How to fit experimental data
  • How to solve linear and nonlinear algebraic equations as well as ordinary differential equations

Along with exercises and references, each chapter contains a theoretical description of process units followed by numerous examples that are solved step by step via hand calculations and computer simulation using Hysys/Unisim, PRO/II, Aspen Plus, and SuperPro Designer. Adhering to the Accreditation Board for Engineering and Technology (ABET) criteria, the book gives students the tools needed to solve real problems involving thermodynamics and fluid-phase equilibria, fluid flow, material and energy balances, heat exchangers, reactor design, distillation, absorption, and liquid–liquid extraction.

Table of Contents

Thermodynamics and Fluid-Phase Equilibria


Boiling Point Calculations

Dew Point Calculation

Vapor Pressure Correlations

Relative Volatility

Equations of State

Physical Properties

Fluid Flow in Pipes, Pumps, and Compressors

Flow in Pipes

Fluid Flow in Pumps

Fluid Flow in Compressors

Material and Energy Balance


Material Balance without Reaction

Material Balance on Reactive Processes

Energy Balance without Reaction

Energy Balance on Reactive Processes

Shell and Tube Heat Exchangers


Design of Shell and Tube Heat Exchanger

Boilers and Condensers

Reactor Design


Plug Flow Reactor

Packed-Bed Reactors

Continuous Stirred Tank Reactor

Distillation Column


Separation of Binary Components

Multicomponent Distillation

Column Diameter

Gas Absorption


Packed-Bed Absorber

Number of Theoretical Stages

Number of Theoretical Stages Using Graphical Technique

Packed-Bed Column Diameter

Packed-Tower Height

Number of Theoretical Trays

Sizing a Plate Tower Absorber

Liquid–Liquid Extraction


Material Balance

Process Simulation


Appendix A: POLYMATH Software

Appendix B: E-Z Solve Software

Appendix C: MATLAB/Simulink

Appendix D: Nonlinear Regression of Experimental Data

Appendix E: Microsoft Visio

Appendix F: General Process Modeling and Simulation (gPROMS)


Problems and References appear at the end of each chapter.

About the Author

Nayef Ghasem is an associate professor of chemical engineering at the United Arab Emirates University. A member of the Institute of Chemical Engineers and the American Chemical Society, Dr. Ghasem has published primarily in the areas of modeling and simulation, bifurcation theory, polymer reaction engineering, and advanced control of polyethylene and polystyrene polymerization processes.

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Chemistry / Industrial & Technical