ECH256 Reading List
BGHiggins/UCDavis/Jan_07
Reaction Engineering Sources
(i) Gilbert F. Froment and Kenneth, B Bischoff, Chemical Reactor Analysis and Design, John Wiley & Sons, 1979
(ii) Lanny D. Schmidt, The Engineering of Chemical Reactions, Oxford Un

Phase Equilibrium for Single
Component System
BGHiggins/UCDavis/Jan_07
Background
An equation of state provides a relationship between the pressure P, the molar volume V, and the temperature T
for a given substance. The most familar equation of state is t

Diffusion Flux
BGHiggins/UCDavis/Jan_07
Introduction
Suppose we are given two expressions for a molar diffusion flux relative to the velocities w ' and w '
J1 = ck Hvk - w1 L
k
J2 = ck Hvk - w2 L
k
(1)
In this notebook we will develop the appropriate form

Reaction Rate and Extent of
Reaction
BGHiggins/UCDavis/Jan_07
Pseudo Reaction Rate for a Single Schema
Consider the oxidation of NO in air to form NO2 which produces brown haze in the atmosphere. The stoichiometric schema for this reaction involving follo

Reaction Stoichiometry
BGHiggins/UCDavis/Jan_07
Introduction
We begin our discussion of stoichiometry by quoting from Aris' prolegomena paper[ Aris (1965)]:
"By 'stoicheiometry' we understand the calculus of changes in composition that take place by react

Calculation of the Null Space
BGH/UCDavis/April_08
Introduction
We consider a reactor in which an unknown reaction takes place involving the following 6 chemical species:
NH3 , H2 O, NO2 , O2 , NO, and N2
Even though we have no prior knowledge of possible

A Material Balance Problem
BGH/UCDavis/April2_08
Background
In these notes we show how to solve macroscopic material balance problems without resorting to specifying
stoichiometric schema. The stoichiometry of the reaction is specified through Axiom II gi

Thermodynamic Properties of an
Ideal Gas Mixtures and Ideal
Mixtures
BGHiggins/UCDavis/Jan_07
Background
In these notes we will be concerned with the properties of an ideal gas mixture which we will denote by IGM. The
organization of these notes follows c

Primer on Partial Molar Quantities
BGHiggins/UCDavis/Jan_06
Background
Suppose we have an ideal mixture of components, then it is tempting to write the total volume (per unit mole of
mixture) denoted here by * as
* HT, P, x1 , x2 , , x -1 L = xi i HT, pL

Basic Concepts in Mass Transfer
BGHiggins/UCDavis/Jan_07
Introduction
In this notebook we review the various concentration definitions that are used extensively in solving mass transfer
problems, especially when we are dealing with a mixture containing mu

Linear Dependence of Reaction
Vectors
BGH/UCDavis/Jan_07
Background
We have shown that the rate of production of species i is given by
Ri = ij rj , i = 1, 2, ,
p
(1)
j=1
The species balance for the ith species is given by
Ci
+ HCi vi L = Ri ,
t
or in t

Mass Action Kinetics
BGH/UCDavis/Jan_07
Overview
There are different approaches and philosophies to studying chemical kinetics. The following quote, taken from
Horn & Jackson (1972): describes two approaches:
"A physical chemist usually consider electrons

Primer on Gibbs Free Energy of
Reacting Systems
BGHiggins/UCDavis/Jan_07
Overview
Suppose we have a reacting system involving 4 molecular species (A, B, C, D) and atomic species. The stoichiometry of the reacting mixture is constrained by Axiom II, namely

Chemical Equilibrium Calculations
BGHiggins/UCDavis/Jan_07
Background
Consider chemical reacting system involving species whose stoichiometry can be represented by a single
independent stoichiometric schema. Recall this occurs when the rank r of the compo

BalanceLaws.nb
1
Balance Equations and Conservation of
Mass
Copyright Brian G. Higgins (2004)
Introduct ion
Balance equations (for mass, momentum, energy, entropy) provide the foundation for much of the physical-based
modeling discussed in transport phen

Molar Gibbs Free Energy and
Fugacity of a Pure Component
BGHiggins/UCDavis/Jan_07
Background
In these notes we examine the Gibbs free energy for a pure fluid system and illustrate how the fugacity is introduced into the formulation as a placeholder for ca

Gibbs-Duhem Equation
BGHiggins/UCDavis/Jan_07
Background
The Gibbs-Duhem equation is a criterion for thermodynamic consistency and finds application in phase equilibrium and chemical equilibria. We will derive the result for the Gibbs free energy but othe

Manipulations of Partial Molar
Enthalpies
BGHiggins/UCDavis/Jan_07
Background
`
In the derivation of the energy equation for a N component mixture one works with the specific enthalpy H
defined by the following relation
`
H Hm1 , m2 , , mN L = m H Hw1 , w

Relation Between Different Matrices in
Reacting Systems
Brian G. Higgins
UC Davis, 2004
Introduction
Consider the following kinetic steps suggested by Fogler (page 311) for the oxidation of NH3 :
I:
4 NH3 + 502 4 NO + 6 H2 O
(1)
II :
3
2 NH3 + 02 N2 + 3 H