Contents
1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
2 The Recipe to Build a Mathematical Model . . . . . . . . . . . . . . . . . . 5
2.1 The Recipe . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2 The Recipe Applied to a Simple System . . . . . . . . . . . . . . . . . . 8
3 Lumped-Parameter Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.1 Some Introductory Examples . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.2 Some Concepts About Convective Heat Exchange . . . . . . . . . . . 21
3.3 Some Concepts About Chemical Kinetics and Reactors. . . . . . . 28
3.3.1 Some Concepts About Kinetics
of Chemical Reactions . . . . . . . . . . . . . . . . . . . . . . . . . . 29
3.3.2 Some Concepts About Chemical Reactors . . . . . . . . . . . . 30
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47
4 Distributed-Parameter Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
4.1 Some Introductory Examples . . . . . . . . . . . . . . . . . . . . . . . . . . 49
4.2 Concepts About Transfer by Diffusion . . . . . . . . . . . . . . . . . . . . 58
4.2.1 Diffusive Transport of Heat . . . . . . . . . . . . . . . . . . . . . . 58
4.2.2 Diffusive Transport of Mass . . . . . . . . . . . . . . . . . . . . . . 59
4.2.3 Diffusive Transport of Momentum . . . . . . . . . . . . . . . . . 60
4.2.4 Analogies Among All Diffusive Transports . . . . . . . . . . . 62
4.2.5 Examples Considering the Diffusive Effects
on the Modeling. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62
4.3 Examples Considering Variations in More
than One Dimension . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87
5 Solving an Algebraic Equations System . . . . . . . . . . . . . . . . . . . . . 89
5.1 Problems Involving Linear Algebraic Equations . . . . . . . . . . . . . 89
5.2 Problems Involving Nonlinear Algebraic Equations . . . . . . . . . . 96
5.2.1 Demonstration of the NR Method to Solve
a Nonlinear Algebraic Equations System . . . . . . . . . . . . 97
5.2.2 Numerical Differentiation. . . . . . . . . . . . . . . . . . . . . . . 101
5.2.3 Using Excel to Solve a Nonlinear Algebraic Equation
Using the NR Method . . . . . . . . . . . . . . . . . . . . . . . . . . 102
5.3 Solving Linear and Nonlinear Algebraic Equations
Using the Solver Tool. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111
6 Solving an Ordinary Differential Equations System . . . . . . . . . . . . 113
6.1 Motivation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113
6.2 Runge–Kutta Numerical Methods . . . . . . . . . . . . . . . . . . . . . . . 116
6.2.1 First Order Runge–Kutta Method, or Euler Method . . . . . 116
6.2.2 Second Order Runge–Kutta Method . . . . . . . . . . . . . . . . 117
6.2.3 Runge–Kutta Method of the Fourth Order. . . . . . . . . . . . 120
6.3 Solving ODEs Using an Excel Spreadsheet. . . . . . . . . . . . . . . . 122
6.3.1 Solving a Single ODE Using Runge–Kutta Methods . . . . 122
6.3.2 Solving a System of Interdependent ODEs
Using Runge–Kutta Methods . . . . . . . . . . . . . . . . . . . . . 126
6.4 Solving ODEs Using Visual Basic . . . . . . . . . . . . . . . . . . . . . . . 129
6.4.1 Enabling Visual Basic in Excel . . . . . . . . . . . . . . . . . . . 130
6.4.2 Developing an Algorithm to Solve One ODE
Using the Euler Method . . . . . . . . . . . . . . . . . . . . . . . . . 130
6.4.3 Developing an Algorithm to Solve One ODE
Using the Runge–Kutta Fourth-Order Method . . . . . . . . . 135
6.4.4 Developing an Algorithm to Solve a System
of ODEs Using the Euler and Fourth-Order
Runge–Kutta Methods . . . . . . . . . . . . . . . . . . . . . . . . . . 136
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144
7 Solving a Partial Differential Equations System . . . . . . . . . . . . . . . 145
7.1 Motivation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145
7.2 Finite Difference Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146
7.3 Introductory Example of Finite Difference
Method Application . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148
7.4 Application of the Finite Difference Method . . . . . . . . . . . . . . . 149
7.4.1 PDEs Transformed into an Algebraic
Equations System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150
7.4.2 PDEs Transformed into an ODE System. . . . . . . . . . . . . 154
7.4.3 Solving a System of PDEs . . . . . . . . . . . . . . . . . . . . . . . 155
7.4.4 PDEs with Flux Boundary Conditions . . . . . . . . . . . . . . . 160
Appendix 7.1. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165
Appendix 7.2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 168
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 169
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 171