Submitted by:

ALMES, ALLYANNA MARIE R OMBI-ON, GLEENA RIO N

AMMOG-AO II, RUDYARD N RAMOS, KATRHYNE L
BALITE, TIMMY S RAZON, STEPHANIE NICOLE R
DOMILIES, ALISTER MARC B ROLDAN, JOHN PATRICK
GAMENG, YVETH SALADINO, NICOLETTE
MADULID, GELLINNE MICAH

9.1 For the reaction system of Example 9.4

(a) Find t needed for 60% conversion of reactant using the optimal temperature progression in the
plug flow reactor.
(b) Also find the exit temperature of fluid from the reactor.
Use whatever information you need from Example 9.4

Given: PRF

Required:

a) AR

b) T2

XA = 0.60

TOPT = 95℃

FA0 = 1000 mol/min

CA0 = 4 mol/liter

E1 = 48900 J/mol

E2 = 124200 J/mol

Solution:

a) For PFR,

for reversible reactions with n  1,

 rA  k1C A  k 2 C R

From example 9.2,

  E 
k1  exp 17.34  1 
 RT 
 E 
k 2  exp 42.04  2 
 RT 

E 2  E1
TOPT 
 k E   X A 
R ln  20 2   ln  
  k10 E1  1  X A  

XA TOPT -rA 1/-rA

0 368 15.54 0.06

0.1 386.47 12.29 0.08

0.2 373.53 9.04 0.11

0.3 365.43 5.89 0.17

0.4 359.02 3.79 0.26

0.5 353.35 2.43 0.41

0.6 347.48 1.49 0.67

Plotting 1/-rA vs. XA,

Equation:

y  0.9429 x  0.0314
r  0.9216
thus,
1
 0.9429 X A  0.0314
 rA
 XA
C A0V dX A

FA 0
 
X A0
 rA
1
but  0.9429 X A  0.0314
 rA
0.6
   (0.9429 X A  0.0314)dX A
0

  0.1509 min

E2  E1
TOPT 
  k E   X A  
R ln  20 2   ln  
  k10 E1  1  X A  
E2  E1

  k E   0.60  
R ln  20 2   ln  
  k10 E1  1  0.60  
TOPT  347.48 K
9.2 For the mixed flow reactor system of Example 9.5, we wish to get 70% conversion in the
smallest size of the reactor. Sketch your recommended system and on it indicate the temperature
of the flowing stream entering and leaving the reactor as well as τ, the space time needed.

Given: CA0= 4mol/liter

FA0= 1000mol A/min
XA= 0.7

Required: Toutlet, Tinlet, τm

Solution:
From Example 9.5,
CPA = 1000cal/kg·K = 250 cal/mol A·K
∆Hr=-18000cal/mol A

(a) Using the table in problem 9.1 at XA=0.7, we get the outlet temperature as 342.04K.
(b) XA=[C’PA(T-T0)]/-∆Hr

0.7  18000
T0  342.04 
250
T0  291.64K

C A0 X A
(c)  m 
 rA

4  0. 7
m 
0.84
 m  3.3333 min

Toutlet=342.04 K, Tinlet=291.64 K, τm=3.3333 min

9.3 For the optimum temperature progression in a plug flow reactor in Example 9.4 (CA0=
4mol/liter, FA0= 1000mol A/min, XA= 0.8, Tmin= 5℃, Tmax= 95℃) and feed and product bot at
25℃, how much heating and cooling would needed
(a) for the feed stream?
(b) in the reactor itself?
(c) for the stream leaving the reactor?

Given: CA0= 4mol/liter

FA0= 1000mol A/min

XA= 0.8

Solution:

From Example 9.5,

CPA = 1000cal/kg·K = 250 cal/mol A·K
∆Hr=-18000cal/mol A

Using the table in problem 9.1 at XA=0.8, we get the outlet temperature as 335.22K.

cal
Q1  C PA (T2  T1 )  250(95  25)  17500
molA
cal
Q2=CPA(T3-T2)+∆HrXA=250(62-95)-0.8(18000) =  22650
molA
cal
Q3  C PA (T4  T3 )  250(25  62)  9250
molA

(a) Q1= 17500 cal/mol A

(b) Q2= -22650 cal/mol A

(c) Q3= -9250 cal/mol A

9.4 We plan to run the reaction of Example 9.4 (CA0= 4 mol/liter, FA0= 1000mol/min) in a plug
flow reactor kept at 40°C throughout to 90% conversion. Find the volume of reactor needed.

Given: PRF Required: V

AR

XA = 0.90

TOPT = 95℃

FA0 = 1000 mol/min

CA0 = 4 mol/liter

Solution:

E 2  E1
TOPT 
 k E   X A 
R ln  20 2   ln  
  k10 E1  1  X A  
E 2  E1

 k E   0.90  
R ln  20 2   ln  
  k10 E1  1  0.90  
TOPT  313.15K

From example 9.2,

 E  E1 
K  exp  2  24.7  69.1403
 RT 
 E 
k1  exp 17.34  1   0.2343
 RT 
 E 
k 2  exp 42.04  2   0.0035
 RT 

K 69.1403
X Ae  
1  K 1  69.1403
X Ae  0.9857
For PFR,
XA
C V dX A
  A0 
FA 0 X A0
 rA
 X 
where  rA  k1C A0 1  A 
 X Ae 
thus,
 X Ae 
X Ae ln  
 X Ae  X A 

k1
C A0V
but  
FA 0
 0.9857 
0.9857 ln  
4V  0.9857  0.90 

1000 0.2343
VPFR  2568.8983 L
9.5 Redo Example 9.4, where CAO = 4 mol/liter is replaced by CAO = 1 mol/liter and FAO remains
unchanged at 1000 mol A/min.
Example 9.4. Using the optimal progression of temperature in a plug flow reactor for the
reactions of Examples 9.2 and 9.3,
(a)Calculate the time space and the volume needed for 80 % conversion of a feed of FAO=1000
mol/min where CAO = 4 mol/L
(b)Plot the temperature and conversion profile along the length of the reactor
Let the maximum allowable temperature be 95 °C.

Given:
CAO = 1 mol/liter
FAO = 1000 mol A/min
XA = 0.80

Required: V

Solution:
Liquid: Constant density system
−𝑟𝐴 = 𝑘1 𝐶𝐴 (1 − 𝑋) − 𝑘2 𝐶𝐴𝑂 𝑋𝐴 = 𝐶𝐴𝑂 [𝑘1 (1 − 𝑋𝐴 ) − 𝑘2 𝑋𝐴 ]

(−𝑟𝐴 )1 = [𝑘1 (1 − 𝑋𝐴 ) − 𝑘2 𝑋𝐴 ]

(−𝑟𝐴 )4 = 4[𝑘1 (1 − 𝑋𝐴 ) − 𝑘2 𝑋𝐴 ] = 4(−𝑟𝐴 )1

0.8 0.8 0.8

𝑑𝑋𝐴 𝑑𝑋𝐴 𝑑𝑋𝐴
∫ =∫ = 4∫
0 (−𝑟𝐴 )1 0 (−𝑟𝐴 )4 0 (−𝑟𝐴 )4

0.8
𝑑𝑋𝐴
= 4∫ = 0.4050 (𝑡𝑎𝑘𝑒𝑛 𝑓𝑟𝑜𝑚 𝑒𝑥𝑎𝑚𝑝𝑙𝑒 9.4)
0 (−𝑟𝐴 )4

0.8
𝑑𝑋𝐴
∫ = 4(0.4050)
0 (−𝑟𝐴 )1

𝜏𝑝 = 𝐶𝐴𝑂

0.8
𝑑𝑋𝐴
𝜏 = 1∫ = (1)(4)(0.4050) = 1.62
0 (−𝑟𝐴 )1

𝑉𝐶𝐴𝑂
𝜏=
𝐹𝐴𝑂

1.62(1000)
𝑉= = 1620 𝐿
1
 Y-Values
3.5

2.5

1.5

0.5

0
0 200 400 600 800 1000 1200 1400 1600 1800
9.6 Redo Example 9.5, where CAO = 4 mol/liter is replaced by CAO = 1 mol/liter and FAO remains
unchanged at 1000 mol A/min.

Example 9.5
A concentrated aqueous A-solution of the previous examples (CAO = 4 mol/liter,
FAO= 1000 mol/min) is to be 80% converted in a mixed flow reactor.
(a) What size of reactor is needed?
(b) What is the heat duty if feed enters at 25°C and product is to be withdrawn
at this temperature?
Note that:
1000 𝑐𝑎𝑙 1 𝑘𝑔 1 𝑙𝑖𝑡𝑒𝑟 𝑐𝑎𝑙
𝐶𝑝𝐴 = . . = 250
𝑘𝑔. 𝐾 1 𝑙𝑖𝑡𝑒𝑟 4 𝑚𝑜𝑙 𝑚𝑜𝑙 𝐴. 𝐾
Given:
FAO= 1000 mol/min
CAO = 1 mol/liter
XA = 0.80

Required: V, Heat Duty

Solution:
(−𝑟 ) 0.4
A.) (−𝑟𝐴 )1 = 4𝐴 4 = 4 = 0.1 𝑚𝑜𝑙⁄𝐿. 𝑚𝑖𝑛
𝐶𝐴𝑂 𝑋𝐴
𝜏=
−𝑟𝐴
1(0.8)
= = 8 𝑚𝑖𝑛
0.1
𝑉 = 𝜏𝑣𝑜
= 8(1000)
𝑉 = 8000 𝐿

B.)
Case 1:

𝑄 = 𝐶𝑝 (𝑇 − 𝑇𝑂 ) + 𝐻𝑋𝐴

0 = 250(4187)(62.22 − 𝑇𝑂 ) + (−18000)(4187)(0.8)

𝑇𝑂 = 4.62°C

𝐽 𝑘𝐽
𝑄1 = 250(4187)(4.62 − 25) = −21332765 𝐴 = −21332.765 𝐴
𝑚𝑜𝑙 𝑚𝑜𝑙

𝐽 𝑘𝐽
𝑄2 = 250(4187)(25 − 62.22) = −38960035 𝐴 = −38960.035 𝐴
𝑚𝑜𝑙 𝑚𝑜𝑙

Case 2:

𝑄1 ′ = 250(4187)(62.22 − 25) + (−18000)(4187)(0.8)

𝐽 𝑘𝐽
𝑄1 ′ = −21332765 𝐴 = −21332.765 𝐴
𝑚𝑜𝑙 𝑚𝑜𝑙

It can be seen that both forms of exchange of heat are equivalent.

9.7 Redo Example 9.6, where CAo= 4 mollliter is replaced by CAo= 1mol/liter, andwhere
FA,remains unchanged at 1000mol A/min.
SOLUTION:
Data from Example 9.6
A ⇆R

-rR = k1CA – k2CR

CAo = 1 mol/liter
FAo =1000 mol/min
CpA = 1000 cal/kg•K = 1000 cal/mol A•K

XA 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8

Topt 386.47 373.53 365.43 359.02 353.35 347.48 342.04 335.22
-rR 12.29 9.04 5.89 3.79 2.43 1.49 0.84 0.4
1/-rR 0.08 0.11 0.17 0.26 0.41 0.67 1.19 2.5

Volume of plug flow reactor for 80 percent conversion when concentration change from 4
mol/liter to 1 mol/liter
Here changing initial concentration of Example 9.6 rate at expression become
−𝑟𝐴
−𝑟𝐴′ =
4
Performance equation for PFR
0.8
𝑑𝑋𝐴
𝜏𝑃 = 𝐶𝐴𝑜 ∫
0 𝑟 ′𝐴
0.8
𝑑𝑋𝐴
= 4𝐶𝐴𝑜 ∫
0 𝑟′𝐴
We know the value of below integration value from Example 9.6
0.8
𝑑𝑋𝐴
∫ = 1.72
0 𝑟 ′𝐴

𝜏𝑃 = 4 × 1 × 1.72 = 6.88 𝑚𝑖𝑛

𝜏𝑃 𝐹𝐴𝑜 6.88 × 1000
𝑉𝑃 = = = 6880 𝑙𝑖𝑡𝑒𝑟
𝐶𝐴𝑜 1
9.8 Redo Example 9.7, where CAo= 4 mollliter is replaced by CAo= 1mol/liter, and where
FA,remains unchanged at 1000 mol A/min.
Solution:
The volume of the plug flow reactor with recycle. From example 9.7 concentration change from
CA =4 mol/liter to CA = 1 mol/liter. Due to first order reaction residence time if not affected but
volumetric flow will because molar flow rate is same and rate expression becomes ¼ times.
−𝑟𝐴
−𝑟𝐴′ =
4
So inverse becomes
1 4
=
−𝑟𝐴′ −𝑟𝐴
It means that the scale of y-axis of Fig E9.7 will raise 4 times if we change initial concentration
of reactant form CA = mol/liter to CA = 1mol/liter. Thenoptimum recycle area will be 4 times of
example 9.7
Area becomes
𝜏𝑃𝑟𝑒𝑐𝑦𝑐𝑙𝑒
= 4 × 1.2 = 4.8 𝑚𝑖𝑛
𝐶𝐴𝑜
𝜏𝑃𝑟𝑒𝑐𝑦𝑐𝑙𝑒 𝐹𝐴𝑜 6.8 × 1000
𝑉𝑃𝑟𝑒𝑐𝑦𝑐𝑙𝑒 = = = 4800 𝑙𝑖𝑡𝑒𝑟
𝐶𝐴𝑜 1
9.9 We wish to run the reaction of Example 9.4 in a mixed flow reactor to 95% conversion for a
feed concentration CAO = 10 mol/liter and feed rate of v = 100 liter/min. What size of reactor
would we need?

Solution:

𝐸2 − 𝐸1
𝑇= 𝑅
𝑘02 𝐸2 𝑋
ln + ln 1 −𝐴𝑋
𝑘01 𝐸1 𝐴

124200 − 48900
𝑇 = 42.04 8.314
𝑒 (124200) 0.95
+ ln
𝑒 17.34 (48900) 1 − 0.95

𝑇 = 316.94 𝐾

48900 124200
−𝑟𝐴 = 10 {[𝑒𝑥𝑝 (17.34 − )] [1 − 𝑋𝐴 ] − [𝑒𝑥𝑝 (42.04 − ) (𝑋𝐴 )]}
𝑅𝑇 𝑅𝑇
𝐿
−𝑟𝐴 = 0.0897
𝑚𝑜𝑙 ∙ 𝑚𝑖𝑛
𝐶𝐴0 𝑋𝐴 (10)(0.95)
𝜏𝑚 = = = 105.91 𝑚𝑖𝑛
−𝑟𝐴 0.0897

𝑉 = 𝜏𝑚 𝑣0 = 10590.85 ≈ 10.6 𝑚3
9.10

Solution:

As E1 < E2, low temperature at the beginning of the reaction is good to produce more of R

As E3 > E4, increasing the temperature when the reaction has already advanced induces to produce
S which is the desired product. As E3 < E5 also E3 < E6, lowering the temperature in the final
stages of the reaction while deduce the disintegration of S hence we can maximize concentration
of S.
9.11

Solution:
Because E1>E2 and E3<E4, we want the first step to occur at high T, the second at low T. So let us
evaluate the rate constants at these extremes.

10°C=283K 90°C=363K

k1 0.6199 66.31

k2 7.27 163.83

k3 15.4 x 10-7 0.0017

k4 3.84 x 10-7 0.0044

At the high T the rate constants of the 1st step are 104 times larger than the rate constants for the
2nd step so we can reasonably assume that the 2nd step does not go to any extent.
Then when all the A is gone we operate at low T.
𝐶𝑅 66.31
= = 0.288
𝐶𝑅 + 𝐶𝑇 66.41 + 163.83

𝐶𝑆 15.4
= = 0.8
𝐶𝑆 + 𝐶𝑈 15.4 + 3.84

𝐶𝑆
= 0.288(0.8) = 𝟎. 𝟐𝟑
𝛥𝐶𝐴
9.12 The reversible first-order gas reaction

A R

is to be carried out in a mixed flow reactor. For operations at 300 K the volume of reactor
required is 100 liters for 60% conversion of A. What should be the volume of the reactor for the
same feed rate and conversion but with operations at 400 K?

Data: k1 = l03exp [-2416/T]

ΔCp = CPR - CpA = 0
ΔH, = -8000 cal/mol at 300 K
K = 10 at 300 K
Feed consists of pure A
Total pressure stays constant

Given:

Before conditions of operating and results at these conditions

T=300K
V=100 Liters
XA= 0.6
After changing temperature of operating from 300 K to 400 K and flow rate and conversion is
the same XA=?
Given relations
2416
k1 = l03exp [- 𝑇 ]
ΔH = -8000 cal/mol at 300 K
K = 10 at 300 K

First, calculate the flow rate of reactor from condition 1

Performance equation for CSTR is

𝑉 𝐶𝐴𝑂 𝑋𝐴
Τm= 𝜈 =
𝑜 −𝑟𝐴

−𝑟𝐴 = 𝑘1 𝐶𝐴𝑂 (1-𝑋𝐴 )-𝑘2 𝐶𝐴𝑂 𝑋𝐴

Now calculate values of rate constant at 300 K

2416
k1 = l03exp [- ]
𝑇

2416 0.3180
k1 = l03exp [- 300 ] = 𝑚𝑖𝑛

𝑘 0.3180 0.0318
k2= 𝐾1= 10
= 𝑚𝑖𝑛
Now volumetric flow rate from performance equation is

𝑉(𝑘1 (1 − 𝑋𝐴 ) − 𝑘2 𝑋𝐴
𝜈𝑜 =
𝑋𝐴
100[ 0.318 (1−0.6)−0.0318(0.6)]
= = 18.02 Liter/min
0,6

Now calculate values of rate constant at 400 K

2416
k1 = l03exp [- ]
𝑇

2416 2.3816
k1 = l03exp [- 400 ] = 𝑚𝑖𝑛

And for equilibrium constant use integral form of Van’t Hoff Equation
𝛥𝐻𝑟 1 1
𝐾𝑇2 = 𝐾𝑇1 exp [ (𝑇 − 𝑇 )]
𝑅 2 1

8000 1 1
= 10 exp [− 8314 (400 − 300)]

𝑘1 2.3816
= 4.485𝑘2 = = = 0.5310 / min
𝐾 4.485

𝑋𝐴
V = 𝜈𝑂 (𝑘 (1−𝑋
)
1 𝐴 )− 𝑘2 𝑋𝐴

0.6
= 18.02(2.3816(1−0.6)−0.513(0.5))

V=17.0526 Liter