Two stirred tank reactors are available at a chemical plant, one of volume 100 m3 and the other of volume

30 m3. It is suggested that these tanks be used as a two stage CSTR for carrying out an irreversible liquid phase reaction, A + B -- Products. The two reactants only will be present in the feed stream in equimolar amounts, CAo = CBo = 1.5 gmol/lit. The volumetric feed rate will be 20 lit/min. The reaction is first order with respect to each of the reactants A and B i.e., second order overall. The rate constant is 0.011 lit/(gmol.min).
Which tank should be used as the first stage for higher overall conversion? With this arrangement, calculate the overall conversion obtainable under steady state conditions

 -rA = -dCA/dt = k CACB i.e., -rA = k (CAo - CAoXA) (CBo - CBoXB)

 The amounts of A and B which have reacted at any time t are equal and given by CAoXA = CBoXB And for the given problem CAo = CBo Therefore, -rA,i = k CAo2(1 - XA,i)2

 Taking smaller reactor as the first reactor, volume (V1)= 30 m3 The design equation for CSTRs in series is, ti/CAo = (XA,i - XA,i-1) / (-rA)i where CAo = Initial concentration of A into the first reactor = 1.5 gmol/lit Volumetric flow rate (v) = 20 lit/min

t1 = V1/v = 30 x 1000 /20 = 1500 min 1500/ CAo = (XA,i - XA,i-1)/ k CAo2(1 - XA,i)2 1500 = (XA,1 - 0)/ (0.011 CAo(1 - XA,1)2) 1500 = XA,1/(0.011 x 1.5 x (1 - XA,1)2 24.75 = XA,1/(1 - XA,1)2

 24.75(1 - 2XA,1 + XA,12) = XA,1 24.75 - 50.5 XA,1 + 24.75 XA,12 = 0 XA,1 = 0.82

 For the second reactor, t2 = V2/v = 100 x 1000 /20 = 5000 min 5000/ CAo = (XA,2 - 0.82)/ k CAo2(1 - XA,2)2 5000 x 0.011 x 1.5 = (XA,2 - 0.82)/ (1 - XA,2)2 82.5 (1 - 2XA,2 + XA,22) = XA,2 - 0.82 83.32 - 166 XA,2 + 82.5 XA,22 = 0 XA,2 = 0.96

 If the reactor is arranged with bigger reactor as the first one: For the first reactor: t1 = V1/v = 1000 x 1000 /20 = 5000 min 5000/ CAo = (XA,1 - 0)/ k CAo2(1 - XA,1)2 5000 = XA,1/(0.011 x 1.5 x (1 - XA,1)2 82.5 = XA,1/(1 - XA,1)2 82.5(1 - 2XA,1 + XA,12) = XA,1 82.5 - 166 XA,1 + 82.5 XA,12 = 0 XA,1 = 0.90

 For the second reactor, t2 = V2/v = 30 x 1000 /20 = 1500 min 1500/ CAo = (XA,2 - 0.90)/ k CAo2(1 - XA,2)2 1500 x 0.011 x 1.5 = (XA,2 - 0.90)/ (1 - XA,2)2 24.75 (1 - 2XA,2 + XA,22) = XA,2 - 0.90 25.65 - 50.5 XA,2 + 24.75 XA,22 = 0 XA,2 = 0.92 From the above calculations, it is seen that the reactor with the smallest volume should be the first one. And overall conversion for this configuration is 96%.

Problem 2
From the following data find a satisfactory rate equation for the gas-phase decomposition of pure A, A R + S, in a mixed flow reactor.
t based on inlet feed conditions, sec 0.423 5.1 13.5 44.0 192

XA (for CAo = 0.002 0.22 mol/lit)

0.63

0.75

0.88

0.96

Calculations: For the mixed flow reactor, the design equation is, t = CAoXA/-rA 1 For variable density systems,

Where, eA = fractional change in volume = (VXA = 1 - VXA = 0) / VXA = 0 = (2 - 1)/1 = 1

Therefore, 2 For the first order equation, equn.1 can be written as t = CAoXA/ kCA 3 substituting for CAo in equation 3, t = 0.002 XA/ kCA substituting for CA from equn.2,

That is, if the given data is for a first order reaction t vs. XA(1 + XA)/(1 - XA) will be a straight line, with a slope of k.

t, sec XA XA(1 + XA)/(1 - XA)

0.423 0.22 0.3441

5.1 0.63 2.7754

13.5 0.75 5.25

44 0.88 13.7867

192 0.96 47.04

For the second order equation, equn.1 can be written as t = CAoXA/ kCA2

That is, if the given data is for a second order reaction t vs. XA(1 + XA)2/ (1 - XA)2 will be a straight line with a slope of kCAo. From the above data, the following graph is drawn :(graph 2)

t, sec XA XA(1 + XA)2/(1 - XA)2

0.423 0.22 0.5382

5.1 0.63 12.2268

13.5 0.75 36.75

44 0.88 215.99

192 0.96 2304.96

By comparing two graphs it is seen that first order kinetics is well fitting the given data. That is, the reaction is following first order. Slope = 0.2493 (from the graph.1) Therefore, k = 0.2493 sec-1. Therefore, rate equation for the given reaction is -rA = 0.2493 CAo (1 - XA)/(1 + XA) = 4.986 x 10-4 (1 - XA)/(1 + XA) mol/lit.sec

Problem 3
An elementary liquid phase reaction (irreversible first order) A R, takes place in a PFR and the conversion is 96%. If a mixed flow reactor of 10 times as large as the PFR is hooked up in parallel with the existing unit, by what fraction could the production be increased for the same 96% conversion?

 Design equation for PFR: (first order reaction) k t = -ln (1 - XA) Design equation for CSTR: (first order reaction) k t = XA / (1 - XA) For the 96% conversion in PFR, k t = -ln (1 - 0.96) k t = 3.219

k VPFR / vPFR = 3.219 for the same 96% conversion in CSTR, k t = 0.96/(1 - 0.96) = 24 The CSTR to be used is of 10 times as large as the PFR. Therefore, k VCSTR / vCSTR = 10 k VPFR / vCSTR = 24 i.e., 10 x 3.219 vPFR / vCSTR = 24 vPFR / vCSTR = 0.7456 Total volumetric rate = vPFR + vCSTR = (1 + 1/0.7456) vPFR = 2.341 vPFR That is the production will increase to 2.341 times of the present production rate.