Sample Calculation

Conversion Calculation

Calculation for 80 ml/min, first data

M NaOH V NaOH =M HClV HCl

0.1 (mmol/ml) * 4.8 ml = 0.10 (mmol/ml) * V HCl

V HCl =4.8 ml (Excess HCl)

V HCl inlet V HCl excess =10 ( ml ) 4.8( ml)

V HClconsumed sample= 5.2 (ml)

Mol of reacted HCL=V HClconsumed sampleInitial HCL Concentration

Mol of reacted HCL=5.20.1=0.52 mol

Mol of unreacted NaOH =Mol of reacted HCL=0.52 mol

mol of unreacted NaOH 0.52

Concentration of unreacted NaOH = = =0.052 M
Volume of Sample 10

Concentration of unreacted NaOH

Conversion= 1 ( Intial concentration of NaOH )
x 100 =48

Order and Rate Constant Calculation

Zero order assumption

r A=k
XA
dx A
t=CaO
0
k

t x
= A
Ca O k

Plotted XA vs t/CaO , inverse slope gives k,

t (min) XA t/Cao
10 0.48 100
11.42857 0.5 114.2857
16 0.58 160
20 0.61 200

zero order
250

200
f(x) = 718.87x - 246.42
R = 0.97
150
X

100

50

0
0.46 0.48 0.5 0.52 0.54 0.56 0.58 0.6 0.62
t/Cao

first order assumption,

r A=kCao ( 1 X )
XA
dx A
t=CaO
0 kCao(1 X)

ln( ( 1 X ))
1
t=
k

Plot t vs -Ln(1-X), inverse slope gives k.

t X -Ln(1-X)
10 0.48 0.65392
6
11.42857 0.5 0.69314
7
16 0.58 0.86750
1
20 0.61 0.94160
9

First oder
1
0.9 f(x) = 0.03x + 0.36
0.8 R = 0.98
0.7
0.6
0.5
t

0.4
0.3
0.2
0.1
0
8 10 12 14 16 18 20 22
-Ln(1-X)

Second Order Assumption

r A=kCao2 ( 1X )2
XA
dX
t=Cao
0 kCao2(1X )2

1
X
kCao
t=
(1 X)2

Plot t*Cao vs X/(1-X)2, inverse slope gives k,

Xt*Cao X/(1-X)^2
1 1.77514792
9
1.1428571 2
43
1.6 3.28798185
9
2 4.01051939
5
 Second order
2.5

2
f(x) = 0.43x + 0.26
R = 0.99
1.5
t*Cao

0.5

0
1.5 2 2.5 3 3.5 4 4.5
X/(1-X)^2

Since second order assumption gives more linearity than other orders. It suits with the literature
that second order is applied for this saponification reaction

Slope = 0.426

k=1 / Slope = 2.35 mL/(mmol.min)

Rate = k * Ca02*(1-X)2

XFlowrate(ml/min) Ca Conversion Rate (mmol/

(mmol/mL) (mL*min))
80 0.052 0.48 0.006347418
70 0.05 0.5 0.005868545
50 0.042 0.58 0.004140845
40 0.039 0.61 0.003570423