CE 561, Exam 1, November 7, 2008
This exam consists of 3 questions, each with multiple parts. You should be careful not to get stuck
on one part. If you do not know how to do a problem, move on and return to it if you have time at
the end.
You may use a c
CE 561, Exam 1, October 30, 2009
This exam consists of 4 questions, some with multiple parts. You should be careful not to get stuck
on one part. If you do not know how to do a problem, move on and return to it if you have time at
the end.
You may use a c
CE 561 Homework 5: (assigned 10/01/09, due 10/05/09)
(1)
Consider the reaction
AlHCl + H AlH + HCl
for which high-level quantum chemistry calculations have been used to compute the
energies and vibrational frequencies of the reactants, transition state, a
CE 561, Exam 1, November 7, 2008
This exam consists of 3 questions, each with multiple parts. You should be careful not to get stuck
on one part. If you do not know how to do a problem, move on and return to it if you have time at
the end.
You may use a c
CE 561 Homework 6: (assigned 10/01/09, due 10/12/09)
(1)
Suppose we wanted to model the behavior of undergraduate students on a Saturday night
at Molly's Pub in the same way we have been modeling chemical rate processes. Let NM
be the number of male under
CE 561, Exam 1, October 30, 2009
This exam consists of 4 questions, some with multiple parts. You should be careful not to get stuck
on one part. If you do not know how to do a problem, move on and return to it if you have time at
the end.
You may use a c
CE 561 Lecture Notes
Fall 2009
Day 12: Unimolecular Reactions and Pressure Dependent Rate Parameters
A unimolecular reaction is an elementary reaction that nominally involves only one reactant.
This could be an isomerization, such as
CH3NC CH3CN
In this c
CE 561 Lecture Notes
Fall 2009
Days 6 and 7: Sensitivity Analysis and Data Fitting to Extract Rate Parameters
Extracting rate parameters from concentration vs. time profiles
A common task in chemical kinetics and reaction engineering is to perform laborat
CE 561, Exam 2, December 11, 2009
This exam consists of three questions, each with multiple parts. You should be careful not
to get stuck on one part. If you do not know how to do a problem, move on and return to it
if you have time at the end. If you can
CE 561 Homework 8: (assigned 10/19/09, due 10/26/09)
A proposed mechanism for the water-gas shift reaction on ferrochrome catalysts at high
temperatures is
H2O + S H2O-S
H2O-S HO-S-H
HO-S-H O-S + H2
CO + O-S OCO-S
OCO-S CO2 + S
r1 = k1[H2O]S - k-1H2O-S
r2
CE 561 Homework 3: (assigned 9/14/09, due 9/21/09)
Consider the reaction mechanism and (fictional) data for the decomposition of aluminum
chloride (AlCl3) in the presence of hydrogen (H2) that are given below. The mechanism includes
forward and reverse ra
CE 561 Lecture Notes
Fall 2009
Day 30: A detailed reactor modeling example
Before proceeding to the special topics portion of the course, we will consider an example in
more detail than we have in the past. We will look carefully at the modeling of the st
CE 561 Homework 2: (assigned 9/9/09, due 9/14/09)
(1)
Consider the network of 1st order reactions given by
A1
k
A2
k
A3
k
A4
k
where for simplicity, we have given all four reactions the same rate constant and made all
four reactions irreversible (note tha
CE 561 Homework 1: Assigned 08/31/09, due 09/09/09
1) Send an email to me at swihart@buffalo.edu. In your message let me know (a) whether you
plan to pursue an M.Eng., M.S., or Ph.D. degree; (b) at what colleges or Universities you
previously studied, and
% CLASS 6 ACTIVITY 2
function activity6 (CA0, t, fA)
% Beta = slope of reaction i.e here it is k/V
% Here, intercept is zero.
V = 100/1000.; % L
nA0 = CA0*V;
nA = nA0.*(1-fA);
y = 1./nA - 1./nA0;
[ beta, betaCI, rSquared ] = FitLinSR( t, y, false )
k = be
function Assignment_1_1
%Assignment_1_1 Calculations and plot for Problem 1 of Assignment 1
%
CE 561, Fall 2016
%
See the accompanying problem solution.
% Known quantities in consistent units
k2f = 1.58E-6; % cm^3/mol/s
k2r = 1.34e12; % cm^3/mol/s
k3f = 7
function a6q1(s,t,Patm,xi0,X)
%Class_14_Activity_1 Perform the calculations for Activity 1 from Class 14
%
CE 561, Fall 2016
%
s is the number of vibrational modes
% Known quantities
P = Patm.*760; %torr
T = 1500; % K
E = 61; % kcal/mol
D = (3.95+2.12)*10
function Assignment_1_5
%Assignment_1_5 Performs the calculations for Problem 5 of Assignment 1
%
CE 561, Fall 2016
% Known constants and given quantities in consistent units
R_gas_E = 8.31446; % J/mol/K
R_gas_PV = 0.08206; % L*atm/mol/K
V = 1.0; % L (bas
function age_function_impulse (t,C)
% provide inputs
V = 0.5; %L
VFR = 2.0/60; % L/s
ntot = 0.425; %mol
% create a vector array that has all elements zeros initialy - a column vector
% calc the fraction of fluid F
F = zeros(length(t),1);
for i = 2:length(
function age_function_step (t,C)
% provide inputs
V = 0.5; %L
VFR = 2.0/60; % L/s
ntot = 0.425; %mol
% create a vector array that has all elements zeros initialy - a column vector
% calc the fraction of fluid F
F = zeros(length(t),1);
for i = 2:length(t)
CE 561 Lecture Notes
Fall 2009
Days 26 and 27: Residence Time Distributions and Non-Ideal Flow Patterns
So far, we have considered only two idealized types of continuous reactors. We analyzed the
PFTR, where there was assumed to be no mixing inside the re
CE 561 Lecture Notes
Fall 2009
Days 24 and 25: The ideal continuous stirred tank reactor (CSTR)
The third idealized reactor type that we will consider is the continuous stirred tank reactor
(CSTR). This idealized reactor is also called the continuous flow
CE 561 Lecture Notes
Fall 2009
Days 20 and 21: Fundamental Equations for Reactor Engineering
The basis of most of reactor modeling is a set of fundamental balance equations. These
equations are mathematical statements of physical laws that require conserv
CE 561 Lecture Notes
Fall 2009
Day 5: Numerical Methods for Integrating Rate Equations
Numerical methods for integrating rate equations
Most situations that we encounter involve reaction mechanisms that are not a network of first
order reactions, but invo
CE 561 Lecture Notes
Fall 2009
Day 4: Laplace transform methods for solving rate equations; Stochastic (kinetic Monte
Carlo) methods for modeling reacting systems
Preliminary comments:
Matrix methods discussed last week work only for linear differential e