Introduction to Chemical Engineering Analysis Using Mathematica, Second Edition reviews the processes and designs used to manufacture, use, and dispose of chemical products using Mathematica, one of the most powerful mathematical software tools available for symbolic, numerical, and graphical computing. Analysis and computation are explained simultaneously. The book covers the core concepts of chemical engineering, ranging from the conservation of mass and energy to chemical kinetics. The text also shows how to use the latest version of Mathematica, from the basics of writing a few lines of code through developing entire analysis programs.
This second edition has been fully revised and updated, and includes analyses of the conservation of energy, whereas the first edition focused on the conservation of mass and ordinary differential equations.
Author(s): Henry C. Foley
Edition: 2
Publisher: Academic Press
Year: 2021
Language: English
Pages: 952
City: London
Contents
Introduction
A bit of an explanation of this book
Chapter subjects in brief
Conclusion
1 A primer of Mathematica
Getting started in Mathematica
Basics
Equals (=), equal equals (==), and colon equals (:=)
Simple commands
Table
Do
Plot, Plot3D, and ContourPlot
Module
ListPlot, Fit, and Show
DSolve
NDSolve
NonlinearModelFit
Point: another versatile graphics method
Conclusion
2 Elementary single component systems
The conservation of mass principle, the concept of a control volume
Filling a vessel with a pelleted solid: conservation of mass
Pressurizing an initially evacuated tank with an ideal gas
Filling a cylindrical tank
Time dependent flows
Geometry and the left-hand side of the mass balance equation
The triangular trough
The conical tank
The semi-cylindrical trough
The spherical tank
Depositing a polymer coating on a disk
Conclusion
3 The draining tank and related systems
The right-hand side of the mass balance equation
Mechanism of water flow from a tank: Torricelli's law - a constitutive relationship
Experiment and the constitutive equation
Solving for level as a function of time
Mass input, output, and control
Constant input
Control
Conclusion
4 Multiple component systems
The concept of the component balance
Concentration versus density
The well-mixed system
Multicomponent systems
Liquid and an insoluble solid
Liquid and soluble solid
Density as a function of concentration
Washing a salt solution from a vessel
The pulse input tracer experiment and analysis
Mixing
Conclusion
5 Multiple phases - mass transfer
Salt dissolution
Batch Dissolution
Background
Rate of dissolution
Conservation of mass across phases
Fit to the batch data
Semi-continuous: pseudo-steady state
Full solution
Liquid-liquid system
Fully continuous
Steady state: equilibrium stage
Mass transfer analysis: non-equilibrium
Conclusion
6 Adsorption and permeation
Adsorption
Semi-continuous adsorption
Continuous adsorption
Plug flow and a simple rate model
Langmuir and plug flow a numerical approach
Permeation
Permeation as adsorption and diffusion
Batch
Continuous permeation
Expanding cell
Conclusion
7 Reacting species - kinetics and batch reactors
How chemical reactions take place
No-flow/batch system
Simple irreversible reactions - first to Nth order
First order kinetics
Second order kinetics overall
Nth order
Reversible reactions - chemical equilibrium
Complex reactions
Series
Series-parallel reactions
High dilution
Langmuir-Hinshelwood-Hougen-Watson kinetics (LHHW)
Microbial population dynamics
Temperature dependence of reaction rates
Conversion and selectivity
Time required for a specified conversion
Effect of stoichiometry
Complex reactions and the steady state approximation
Lindemann
Rice-Herzfeld
Conclusion
8 Flow reactors
Introduction to flow reactors
Semi-continuous systems, fed-batch reactors
Second order kinetics and negligible volume change
Pseudo-steady state analysis in FBR
Numerical analysis of the fed-batch reactor
Constant volume batch reactor (CVBR) versus the fed-batch reactor (FBR)
Accounting for larger volume change
Economic potential
Continuous flow reactors
Continuous flow stirred tank reactor
Steady state CSTR with higher order, reversible kinetics
Time dependence - the transient approach to steady state and saturation kinetics
Plug flow reactors
Solution of the steady state PFR
Mixing effects on selectivities: series and series-parallel with CSTR and PFR
PFR as a series of CSTRs
Residence time distribution
Time dependent PFR - complete and numerical solutions
Introduction
Transient PFR
Equations, initial conditions, and boundary conditions
Conclusion
9 Additional examples
Another look at the level-controlled tank
Perturbation of the inlet flow rate & control
Integration through and beyond the disturbance
Proportional, integral, and differential control
General model for titration of a strong acid with a strong base
The pH of a weak acid
The partial molal volume of solution
The design of an optimal CSTR
A linear optimization
Linear or non-linear?
Differential equations with impulse functions
Perceptrons: primitive AI
The transfer function
The artificial neuron (AN)
Truth Tables for logic gates
Maps and graphical interpretation of AND and OR
A graphical aside
The NOT gate or inverter
Combinations of gates
The NAND and NOR gates
Summary of two input logic gates
Conclusion
Index
