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Example 4.1

This document summarizes the solution steps for determining the specific reaction rate constant, k, from batch reactor data. It identifies the relevant theories, variables, knowns and unknowns. It assumes the reactor is well-mixed and isothermal. Using mole balances, rate laws, and stoichiometry, it derives an expression for the concentration of ethylene oxide as a function of time. By plotting the natural log of a concentration term versus time, the slope gives the value of k as 0.3145 min-1.

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M Iqbal A
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138 views

Example 4.1

This document summarizes the solution steps for determining the specific reaction rate constant, k, from batch reactor data. It identifies the relevant theories, variables, knowns and unknowns. It assumes the reactor is well-mixed and isothermal. Using mole balances, rate laws, and stoichiometry, it derives an expression for the concentration of ethylene oxide as a function of time. By plotting the natural log of a concentration term versus time, the slope gives the value of k as 0.3145 min-1.

Uploaded by

M Iqbal A
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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EXAMPLE 4-1

MOHAMMAD IQBAL ANDIKOPUTRO


1406547130
PROBLEM 4-1

Determining the constant k from batch data


PROBLEM STATEMENT
DETERMINE THE SPECIFIC REACTION RATE, K A
SKETCH

A,B,C

Batch
IDENTIFY

1. Relevant Theories
a. Mole balance:
dN A
= rAV
dt
b. Rate law: -rA = kACA
2. Variables
a. Dependent: CA, CB, and cC
b. Independent: time, t
3. Known and Unknown
a. Known: Concentration of ethylene glycol as
a function of time
b. Unknown: Concentration of ethylene oxide
as a fucntion of time, specific reation rate, kA ,
Reactor Volume, V
IDENTIFY

4. Inputs and Outputs


Reactant fed all once to a batch reactor
5. Missing Information
None; does not appear that other sources need to
be sought
ASSUMPTIONS AND APPROXIMATIONS

Assumptions
1. Well mixed
2. All reactants enter at the same time
3. No side reactions
4. Negligible filling time
5. Isothermal operation
Approximations
1. Water in excess so that its concentration is
essentially constant
SPECIFICATION

The problem is neither over specified nor


underspecified
RELATED MATERIAL

This problem uses the mole balances for a batch


reaction and the stoichiometry and rate laws
USE AN ALGORITHM

For an isothermal reaction, use the chemical


reaction engineering algorithm
SOLUTION

1. Mole Balance
2. Rate law
3. Stoichiometry
4. Combining
5. Evaluate
MOLE BALANCE

Mole balance on a batch reactor that is well mixed is

1 dN A
= rA
V dt
RATE LAW

The rate law is

-rA = kCA
STOCHIOMETRY

Species Symbol Initial Change Remaining Concentration

CH2CH2O A NA0 -NA0X NA = NA0(1-X) CA = CA0(1-X)


H2O B BNA0 -BNA0 NB = NA0(B-X) CB = CA0(B-X)
CB CA0 = cB0
(CH2OH)2 C 0 NA0X NC = NA0X Cc = CA0X
NT0 NT = NT0 NA0X

NA NA
C A
=
V
=
V0

1 dN A d(N A / V0 ) dCA
= =
V0 dt dt dt
COMBINING

dCA
- = kCA
dt
EVALUATE

For isothermal operation, k is constant, thus,

dCA
- k dt = k dt
CA t t
=
CA 0
CA 0 0

Yields,

CA0
ln = kt
CA
EVALUATE

The concentration of ethylene oxide at anytime t is


CA = CA0e-kt

The concentration of ethylene glycol at anytime t


can be obtained from reaction stoichiometry:
A + B C
NC = NA0X = NA0 NA
For liquid phase reactions V = V0
CC = NC/V = NC/V0 = CA0 CA = CA0(1-e-kt)
Rearranging and taking the logarithm of both sides yields
CA0 - CC
ln = -kt
CA0
EVALUATE

By plotting

CA0 - CC
ln
CA0
As a function of t will yield a straight line with a slope
k, thus using excel
EVALUATE

T (min) Cc CA0-CC/CA0 Ln(CA0-CC/CA0)


0 0 1 0
0.5 0.145 0.855 -0.15665381
1 0.27 0.73 -0.314710745
1.5 0.376 0.624 -0.471604911
2 0.467 0.533 -0.629233855
3 0.61 0.39 -0.94160854
4 0.715 0.285 -1.255266099
6 0.848 0.152 -1.883874758
10 0.957 0.043 -3.146555163
EVALUATE

From the graph we get k = -0.3145 min-1 and k =


0.3145

LN(CA0-CC/CA0) VS T GRAPH
0.5

0
0 2 4 6 8 10 12
-0.5

-1
Axis Title

-1.5 LINE
Linear (LINE)
-2

-2.5

-3
y = -0.3145x + 0.0007
-3.5
t (min)

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