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Isothermal Semibatch In-Class Example Final

The document describes an isothermal, semi-batch reaction to produce methyl bromide. Bromine cyanide and methylamine reactants are fed into a continuously stirred tank reactor at controlled rates. Differential equations are derived and solved using POLYMATH to determine the concentrations of reactants and products over time as the reaction proceeds. Plots of concentration versus time and reactor volume versus time are presented.

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Marcel Souza
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589 views3 pages

Isothermal Semibatch In-Class Example Final

The document describes an isothermal, semi-batch reaction to produce methyl bromide. Bromine cyanide and methylamine reactants are fed into a continuously stirred tank reactor at controlled rates. Differential equations are derived and solved using POLYMATH to determine the concentrations of reactants and products over time as the reaction proceeds. Plots of concentration versus time and reactor volume versus time are presented.

Uploaded by

Marcel Souza
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
  • Isothermal Semi-Batch Reaction Example: Describes an isothermal semi-batch reaction example, detailing the procedure and initial conditions.
  • Differential Equations and Calculations: Presents calculated values for differential equations and explicit equations for the reaction.
  • Graphical Analysis: Displays plots of concentration versus time and V_r versus time for the reaction.

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)

Isothermal  Semi-­Batch  Reaction  Example  (see  Fogler  4th  Ed.  Problem  4-­9)     The  producti
POLYMATH Report Ordinary Differential Equations 26-Sep-2011 Calculated values of DEQ variables Variable Initial v
  Plot  of  Concentration  (mol/dm3)  vs.  Time  (s)       Plot  of  Vr  (dm3)  vs.  Time

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