Introduction to Chemical Engineering Analysis Using Mathematica: for Chemists, Biotechnologists and Materials Scientists

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