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 a concentration of 0.025 mol/dm3 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.

CBo = 0.025 mol/dm3



vo = 0.05 dm3/s






Vro = 5 dm3

CAo = 0.05 mol/dm3
Solution:

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

Cb

0.0225806

0.0225806

Cbo

0.025

0.025

0.025

0.025

Cc

0.0121349

0.0016129

Cd

0.0121349

0.0016129

2.2

2.2

2.2

2.2

0.0001273

5.588E-56

3000.

3000.

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

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)