PROJECT #1 Due on December 4

th
, 2013.
1


Commercial production of propylene glycol (C) can be carried out by hydration of propylene
oxide (A) via the following liquid phase reaction:

C
3
H
6
O + H
2
O C
3
H
8
O
2

A + B C

The reaction takes place readily when catalyzed by sulfuric acid. Propylene oxide (C
3
H
6
O) is
typically fed to a continuous stirred tank reactor as a propylene oxide-methanol solution.
Methanol is an inert in this reaction.

Preliminary studies show that the conversion of propylene oxide varies substantially ranging
from 20% to 75% when the reactor operated under similar conditions. You are the engineer in
charge of the design of the reactor and are interested in modelling the behavior of the reactor.

Two feed streams are used. The first stream consists of a 50/50 volume percent propylene oxide-
methanol solution and the second stream consists of water with approximately 0.1 weight %
sulphuric acid. The temperature of both feed streams prior to mixing is 274.6 K but there is an
immediate rise in temperature upon mixing in the reactor (due to enthalpy change of mixing
effect). Since this is NOT a reaction engineering course, you can ignore this paragraph. Just
focus on eqs. (1) and (2) on next page, the data given below, and solve the problems
mathematically.

The reaction kinetics is first order with respect to propylene oxide in an excess of water:

A
kC r ; where ) / exp( 10 71 . 4
9
RT E k (s
-1
), the activation energy E=18 kcal/mol, and R is
universal gas constant.

The following data are also available.

Reactor volume V = 100 litre
Enthalpy change of reaction
rxn
H = 19.99 kcal/mol
Enthalpy change of mixing
mix
H = 9.24 kcal/L
Total feed volume flow rate
0
v = 4.512 (L/min)
Concentration of A in the feed, C
A0
= 2.15 mol/L of the mixed solution

Heat capacity
P
C = 0.924 kcal/L-K
Overall heat transfer coefficient
0
v C
UA
P

=
3
10 5 . 8

.
Feed temperature T
0
= 274.6 K
Coolant temperature T
a
= 293.15 K



PROJECT #1 Due on December 4
th
, 2013.
2


The non-steady state (dynamic) behavior of the reactor is given by the materials balance and
energy balance equations below.

V r C C v
dt
dC
V
A A
A
) (
0 0
(1)

) ( ) ( ) ( ) (
0 0 0 mix a rxn P P
H v T T UA H V r T T C v
dt
dT
V C (2)

1) (Multiple steady states) Show that the reactor exhibits multiple steady states or fixed points.
Determine the temperature (T) and concentration (C
A
) of propylene oxide (species A) in the
reactor at these steady states (fixed points). When solving for the steady state points, you
must make sure the units are consistent.

2) (Linear stability analysis) Linearize eqs. (1) and (2) to determine the characteristics of each
of the steady state points (type of fixed point, stable or unstable, ).

3) (CSTR start-up, transient dynamic behaviour) In reactor start-up, it is important to know how
the temperature and concentration approach their steady state values. For example, a
significant overshoot in temperature may cause a reactant or product to degrade, initiate
undesirable reactions, or the overshoot may be unacceptable for safe operation.

(a) To understand the behavior of the reactor at start-up, it is proposed to investigate the
dynamics of the reactor with only water in the reactor vessel (initial concentration
0
A
C mol/L) and at initial reactor temperatures 275, 290, 300, 315, 320, 330 and 340
K. They correspond to different initial conditions of the system.

(b) A second proposal is to set the initial tank concentration 5 . 1
A
C mol/L with the same
initial tank temperatures.

Use MATLAB to solve the non-steady state material and energy balance equations to
determine the dynamics of the reactor for initial tank conditions specified in cases (a)
and (b). Plot the simulation results on a temperature (K) vs. time(s), concentration
(mol/L) vs. time(s), and concentration (ordinate) vs. temperature (abscissa) phase plane.

Can you recommend start-up conditions that will lead to the high conversion steady-
state? Would your recommendation be different if safety consideration requires that the
reactor temperature does not exceed 350 K?

Please write a report for the above tasks.