Original Data
Reactor Height, cm = 6.45
Volume of Reactor (V) = 78.5 * 6.45 ml = 506.325 mL = 0.506 L
Concentration of A in feed tank= 0.1 M
Concentration of B in feed tank= 0.1 M
A∞ = 7 mS/cm
Ao = 19.335 mS/cm
Dat Speed A, Speed B, Flow rate (A), Flow rate (B), A_measured,
a X/min X/min ml/min ml/min mS/cm
1 53 53 104.716 104.716 13.51
2 44 44 87.265 87.265 13.18
3 33 33 65.936 65.936 12.63
4 24 24 48.485 48.485 12
Sample Calculations
Flowrate of components
Initial Concentration
Concentration from conductivity
Conversion
Residence time
Rate of Reaction
Order and Rate Constant
Deviation in rate constant
Component Flowrates:
To calculate the flowrates, we use the following relation:
Flow rate of NaOH =1.939N+1.949 ml/min
Flow rate CH3COOC2H5 =1.939N+1.949 ml/min
Where N is the Pump speed.
Based on the available data the pump speed for both components (NaOH and CH3COOC2H5) is
53 /min in the first run. So, the flowrates are:
Flowrate of NaOH=1.939∗53+1.949
ml
Flowrate of NaOH=104.716
min
Flowrate of CH 3 COOC 2 H 5=1.939∗53+1.949
ml
Flowrate of CH 3 COOC 2 H 5=104.716
min
Similarly, the flowrates are calculated for the rest of the pump speed.
Initial Concentrations at Reactor Inlet:
As the reactants are present in equal molar amounts, their initial concentrations at the reactor
inlet are calculated as shown below:
C Ai∗V A
C Ao=
V tot
C Ai∗V A
C Ao=
V A +V B
C Ai∗V A
C Ao=
2∗V A
C Ai
C Ao=
2
0.1
C Ao= M
2
C Ao=0.05 M
Concentration of NaOH (C ) : A
To find the concentration of NaOH we use the relation between conductivity and
concentration. The relation between the two quantities is:
C A A measured −A O
=
C Ao A o −A ∞
From this expression we can get concentration by rearranging:
Ameasured − AO
C A= ∗C AO
A o− A ∞
C AO=0.05 M
So,
Ameasured − AO
C A= ∗0.05 M
A o− A ∞
Now, putting the values of these variables in equation we can find the concentration. Calculation for first
data value is as follows:
13.51−19.335
C A= ∗0.05 M
19.335−7
C A=0.0264 M
The results for the rest of the values along with measured conductivity A measured are as follows:
A_measured, mS/cm C_A
14.01 0.0284
15
13.37 0.0258
21
12.99 0.0242
81
12.44 0.0220
51
Experimental Conversion (X ) A,exp
The conversion of reaction is given by:
C Ao −C A
X A=
C Ao
Now, the value of CAO is constant which is 0.05M. The value of C A varies and
gives different results. The results for first data set is as follows:
0.05−0.0264
X A=
0.05
X A =0.4722
Similarly, the conversion results for other values along with concentration are
given below:
C_A X_A
0.0284 0.4316
15 98
0.0258 0.4835
21 83
0.0242 0.5143
81 9
0.0220 0.5589
51 79
Residence Time (τ)
The residence time is given by:
V
τ=
V total
Here, V is the reactor volume and Vtotal is sum of Volumetric flowrate of
component A and B. Now, the flowrates are in minutes, so we multiply the result
with 60 to get results in s. The volume of reactor is 506.325 ml.
506.325
∗1
V A +V B 1
τ= .
60 s
Now, for the first data set the VA and VB value is 104.716 ml/min.
506.325
∗1
104.716+104.716 1
τ= .
60 s
506.325
∗1
209.432 1
τ= .
60 s
1
τ =0.0403
s
Similarly, the result for other data sets along with the flowrates are:
Flow rate (A), ml/min Flow rate (B), ml/min
104.716 104.716
83.387 83.387
69.814 69.814
52.363 52.363
Rate of Reaction:
For calculating the reaction rate, we used the design equation of CSTR:
τ XA
=
C Ao −r A
XA
−r A = ∗C Ao
τ
Now, we calculate the rate of reaction using the above equation. For the first
data set the value of conversion is 0.431698, the value of residence time is
0.036858 /s and the value of inlet concentration is 0.05 mol/L:
0.4722 mol
−r A = ∗0.05
0.0403 L. s
mol
−r A =0.58563
L. s
Similarly, the results for other parts are as follows:
X_A τ, s -r_A (mol/Ls)
0.43169 0.03685 0.58563
8 8
0.48358 0.04628 0.522395
3 5
0.51439 0.05528 0.465227
4
0.55897 0.07370 0.379183
9 8
Order and Rate Constant:
To find the order and rate constant we perform the linear regression analysis on the
rate equation. The rate equation is given by:
n
−r A =k C A
Taking natural logarithm on both sides we get:
ln (−r a )=lnK +nln C A
From this equation if we apply linear regression, we get the slope of n (which is the
order of reaction) and intercept of lnK which is logarithm of rate constant. The plot
for linear regression is given below:
Regression Plot
0
-3.95 -3.9 -3.85 -3.8 -3.75 -3.7 -3.65 -3.6
-0.2
-0.4
ln(-rA)
f(x) = 2.03013732475533 x + 6.83167088763 -0.6
R² = 0.996844876188393
-0.8
-1
-1.2
ln(CA)
From the plot and values, we get:
Slope = Order of reaction = 2.0301 = 2
Intercept = ln(k) = 6.8317
Now, taking exponential for ln(K) yields the value of k with units of mol/L.s
exp ¿ ¿
L
k =926.7379946
mol . s
Rate constant (k) at each flowrate:
To calculate the rate constant for each flowrate we use the equation:
xA
k=
τ∗C Ao∗( 1−x A )2
Now, the values for the first data set are 0.431698 for conversion, 0.036858 s for residence time, and
0.05M for inlet concentration:
0.4722
k= 2
0.0403∗0.05∗( 1−0.4722 )
L
k =841.53
mol . s
Similarly, for other values the results are:
X_A τ, s -r_A (mol/Ls) k (L/mol.s)
0.4316 0.0368 0.58563 725.31281
98 58
0.4835 0.0462 0.522395 783.535467
83 85 6
0.5143 0.0552 0.465227 789.131229
9 84
0.5589 0.0737 0.379183 779.811649
79 08 2
Deviation in rate constant:
The deviation in rate constant in terms of standard deviation and Average
Absolute Deviation are also calculated. The calculations for these are:
841.5269351+822.2657943+ 815.503095+831.7418109
μ=
4
3311.037636
μ=
4
μ=827.7594
σ=
√ ( 841.5 3−827.7 6 )2 + ( 822.26−827.7 6 )2+ ( 815.50−827.7 6 )2 + ( 831.74−827.76 )2
4
√
[13 . 7675 +(−5.4936) +(−12.256)2 +3 . 98 24 2 ]∗1
2 2
σ=
4
σ=
√ 385.801
4
σ =√ 96.4503
Standard Deviation = 9.8209
Now, for calculating absolute average deviation we use the following equation:
x i−μ
AAD=∑
N
AAD=¿
13.7675+5.4936 +12.256+3.9824
AAD=
4
35.4999
AAD=
4
Absolute Average Deviation = 8.8749