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)