Introduction to Chemical Engineering Computing / Edition 2

Introduction to Chemical Engineering Computing / Edition 2

by Bruce A. Finlayson
     
 

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ISBN-10: 0470932953

ISBN-13: 9780470932957

Pub. Date: 08/07/2012

Publisher: Wiley

Step-by-step instructions enable chemical engineers to master key software programs and solve complex problems

Today, both students and professionals in chemical engineering must solve increasingly complex problems dealing with refineries, fuel cells, microreactors, and pharmaceutical plants, to name a few. With this book as their guide, readers learn to

Overview

Step-by-step instructions enable chemical engineers to master key software programs and solve complex problems

Today, both students and professionals in chemical engineering must solve increasingly complex problems dealing with refineries, fuel cells, microreactors, and pharmaceutical plants, to name a few. With this book as their guide, readers learn to solve these problems using their computers and Excel, MATLAB, Aspen Plus, and COMSOL Multiphysics. Moreover, they learn how to check their solutions and validate their results to make sure they have solved the problems correctly.

Now in its Second Edition, Introduction to Chemical Engineering Computing is based on the author’s firsthand teaching experience. As a result, the emphasis is on problem solving. Simple introductions help readers become conversant with each program and then tackle a broad range of problems in chemical engineering, including:

  • Equations of state
  • Chemical reaction equilibria
  • Mass balances with recycle streams
  • Thermodynamics and simulation of mass transfer equipment
  • Process simulation
  • Fluid flow in two and three dimensions

All the chapters contain clear instructions, figures, and examples to guide readers through all the programs and types of chemical engineering problems. Problems at the end of each chapter, ranging from simple to difficult, allow readers to gradually build their skills, whether they solve the problems themselves or in teams. In addition, the book’s accompanying website lists the core principles learned from each problem, both from a chemical engineering and a computational perspective.

Covering a broad range of disciplines and problems within chemical engineering, Introduction to Chemical Engineering Computing is recommended for both undergraduate and graduate students as well as practicing engineers who want to know how to choose the right computer software program and tackle almost any chemical engineering problem.

Product Details

ISBN-13:
9780470932957
Publisher:
Wiley
Publication date:
08/07/2012
Pages:
402
Product dimensions:
6.80(w) x 9.90(h) x 1.00(d)

Table of Contents

Preface.

1. Introduction.

Organization.

Algebraic Equations.

Process Simulation.

Differential Equations.

Appendices.

2. Equations of State.

Equation of state - mathematical formulation.

Solving equations of state Using Excel.

Solution using 'Goal seek'.

Solution using 'Solver'.

Example of a chemical engineering problem solved using 'Goal Seek'.

Solving equations of state using MATLAB(r).

Example of a chemical engineering problem solved using MATLAB.

Another example of a chemical engineering problem solved using MATLAB.

Equations of state with Aspen Plus.

Specific volume of a mixture.

Chapter summary.

Problems.

3. Vapor-liquid Equilibrium.

Flash and phase separation.

Isothermal flash - development of equations.

Example using Excel.

Thermodynamic parameters.

Example using MATLAB.

Example using Aspen Plus.

Non-ideal liquids - test of thermodynamic model.

Chapter summary.

Problems.

4. Chemical Reaction Equilibrium.

Chemical equilibrium expression.

Example of hydrogen for fuel cells.

Solution with Excel.

Solution using MATLAB.

Chemical equilibria with two or more equations.

Multiple equations, few unknowns with MATLAB.

Method 1 using the 'fsolve' command.

Method 2 using the 'fminsearch' function.

Variations in MATLAB.

Chemical Equilibria with Aspen Plus.

Chapter summary.

Problems.

5. Mass Balances with Recycle Streams.

Mathematical formulation.

Example without recycle.

Example with recycle; comparison of sequential and simultaneous solution methods.

Example of process simulation using Excel for simple mass balances.

Example of process simulation using Excel including chemical reaction equilibrium.

Example of process simulation using Excel including phase equilibrium.

Chapter summary.

Class exercises.

Class discussion.

Problems.

6. Simulation of Mass Transfer Equipment.

Thermodynamics.

Example: multicomponent distillation with shortcut methods.

Mathematical development.

Example: multicomponent distillation with rigorous plate-to-plate methods.

Example: packed bed absorption.

Example: gas plant product separation.

Chapter summary.

Class exercise.

Problems (using Aspen Plus).

7. Process Simulation.

Model library.

Example: Ammonia process.

Utility costs.

Convergence hints.

Optimization.

Chapter summary.

Class exercise.

Problems.

8. Chemical Reactors.

Mathematical formulation of reactor problems.

Example: plug flow reactor and batch reactor.

Example: continuous stirred tank reactor (CSTR).

Using MATLAB to solve ordinary differential equations.

Simple example.

Use of the 'global' command.

Passing parameters.

Example: isothermal plug flow reactor.

Example: non-isothermal flow reactor.

Using FEMLAB to solve ordinary differential equations.

Simple example.

Example: isothermal plug flow reactor.

Example: non-isothermal flow reactor.

Reactor problems with mole changes and variable density.

Chemical reactors with mass transfer limitations.

Continuous stirred tank reactors (CSTR).

Solution using Excel.

Solution using MATLAB.

CSTR with multiple solutions.

Solutions to multiple equations using MATLAB.

Transient continuous stirred tank reactors (CSTR).

Chapter summary.

Problems.

9. Transport Process in One Dimension.

Applications in chemical engineering - mathematical foundation.

Heat transfer.

Diffusion and reaction.

Fluid flow.

Unsteady heat transfer.

Example: Heat transfer in a slab.

Example: Reaction and diffusion.

Parametric solution.

Flow of a Newtonion fluid in a pipe.

Example: Flow of a Non-Newtonion in a pipe.

Example: Transient Heat Transfer.

Example: Liinear Adsorption.

Example: Chromatography.

Chapter summary.

Problems.

10. Fluid Flow in Two and Three Dimensions.

Mathematical foundation of fluid flow.

Navier-Stokes equation.

Non-Newtonian fluid.

Example: Entry flow in a pipe.

Example: Entry flow of a non-Newtonian fluid.

Example: Flow in microfluidic devices.

Example: Turbulent flow in a pipe.

Example: Start-up flow in a pipe.

Example: Flow through an orifice.

Example: Flow in a serpentine mixer.

Boundary conditions.

Non-dimensionalization.

Chapter summary.

Problems.

11. Convective Diffusion Equation in Two and Three Dimensions. .

Convective diffusion equation.

Non-dimensional equations.

Boundary conditions.

Example: heat transfer in two dimensions.

Example: heat conduction with a hole.

Example: dispersion in microfluidic devices.

Effect of Peclet number.

Example: concentration-dependent viscosity.

Example: viscous dissipation.

Example: chemical reactor.

Example: wall reactions.

Example: mixing in a serpentine mixer.

Chapter summary.

Problems.

Appendix A: Hints when using Excel.

Appendix B: Hints when using MATLAB(r).

Appendix C: Hints when using Aspen Plus.

Appendix D: Hints when using FEMLAB.

Appendix E: Parameter Estimation.

Appendix F: Mathematical Methods.

References.

Author Index.

Chemical Index.

Computer Command Index.

Subject Index.

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