Isothermal Semi-Batch Reaction Example (see Fogler 4th Ed.

Problem 4-9)

The production of methyl bromide is an irreversible liquid-‐

phase reaction that follows an elementary rate law. The
reaction

CNBr + CH3NH2  CH3Br +

NCNH2

(A)
+ (B)
 (C) +
(D)

Is carried out isothermally in a semi-‐batch reactor.

A solution of methylamine (B) in extra dry ethanol at
3
a concentration of 0.025 mol/dm is to be fed at
a rate of 0.05 dm3/s to an solution of bromine
cyanide (A) in extra dry ethanol contained in a glass-‐
lined reactor. The initial volume of fluid in the
vat is to be 5 dm3 with a bromine cyanide
concentration of 0.05 mol/dm3. The specific reaction
rate constant is

k = 2.2 dm3/(mol
s) r =
kCACB

Solve for the concentrations of bromine cyanide and methyl

bromide and the rate of reaction as a function of
time.
3
CBo = 0.025 mol/dm

3 /s
v o = 0.05 dm

3
V ro = 5 dm
Solution: CAo = 0.05 mol/dm3

The general reaction can be written as:

 A + B  C + D
We need to determine the affect of time on the
concentrations of all species:

!!! !!
!" = −!!!!!− !! !!

!!! !!
!" = −!!!!!+ !! (!!"− !!)

!! = !!,! +!!!
Similarly,
!!! !!
!" = !!!!!− !! !!

!!! !!
!" = !!!!!− !! !!

Initial conditions at t = 0 are: CAo = 0.05 mol/dm3, CB

= CC = CD = 0. Plot the concentrations vs.
time and rate vs. time.

POLYMATH Report

Ordinary Differential Equations 26-Sep-2011

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 Ca 0.05 1.125E-54 0.05 1.125E-54
2 Cb 0 0 0.0225806 0.0225806
3 Cbo 0.025 0.025 0.025 0.025
4 Cc 0 0 0.0121349 0.0016129
5 Cd 0 0 0.0121349 0.0016129
6 k 2.2 2.2 2.2 2.2
7 r 0 0 0.0001273 5.588E-56
8 t 0 0 3000. 3000.
9 vo 0.05 0.05 0.05 0.05
10 Vor 5. 5. 5. 5.
11 Vr 5. 5. 155. 155.

Differential equations
1 d(Ca)/d(t) = -r-(vo/Vr)*Ca
2 d(Cb)/d(t) = -r+(vo/Vr)*(Cbo-Cb)
3 d(Cc)/d(t) = r-(vo/Vr)*Cc
4
 d(Cd)/d(t) = r-(vo/Vr)*Cd

Explicit equations
1 k = 2.2
dm3/(s mol)

2 Vor = 5
dm3

3 r = k*Ca*Cb
4 vo = .05
dm3/s

5 Vr = Vor+vo*t
6 Cbo = 0.025
mol/dm3

General
Total number of equations 10
Number of differential equations 4
Number of explicit equations 6
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error tolerance. eps 0.000001

Plot of Concentration (mol/dm3) vs. Time (s)

Plot of Vr (dm3) vs. Time (s)