L12-1

Non isothermal Reactor Design

FA0 FA XA = 0.7

Consider an exothermic, liquid-phase reaction operated adiabatically in a PFR

(adiabatic operation- temperature increases down length of PFR):
k
A  B  E  1 1 
dXA rA    
E
 exp   1  
R T T
Mole balance: k  Ae RT k  k1
dV FA0
Arrhenius Equation
 E  1 1 
dX A kCA0 (1  X A ) dX A     (1  X A )
Rate law: rA  kCA exp   1  
R T T
   k1
dV C A00 dV 0

Stoichiometry: FA  CA v 0
  0
CA  CA0 (1  X A )
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-2

Energy Balance
dEˆ sys n n
 Q  W   FiEi   FiEi
dt in out
i1 i1
Rate of accum Rate of energy added
Heat energy leaving syst
of energy in = work done + to syst by -
in - by mass flow out
system by syst mass flow in
n n
W    FPV
i i in   FPV
i i out  Ws
P : pressure WS: shaft work
i1 i1 Vi  specific volume
Flow work
Ei  Ui Internal energy is major contributor to energy term
dEˆ sys n n
  Q - Ws   Fi (Ui  PVi ) in -  Fi (Ui  PVi ) out
dt i1 i1
Hi  Ui  PVi
n n
Steady state: 0  Q  Ws   Fi0Hi0   FH
i i
i1 i1
Energy &
Accum of energy =0= Heat shaft Energy & work
- + work added -
in system in work removed by flow out
by flow in
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-3

Total energy balance (TEB)

n n
Steady state: 0  Q  Ws   Fi0Hi0   FiHi
i1 i1
F
Fi  Fi0   iFA0 X A  Fi  FA0  i   i X A  where i  i0
FA0
dEˆ sys n n
If XA0=0, then:  Q  Ws   Hi0 iFA0   HiFA0  i   i X A 
dt i1 i1
Multiply dEsys n n
 Q  Ws   Hi0 iFA0   HiFA0 i  HiFA0 i X A 
out: dt i1 i1

Total energy dEˆ sys n n

balance (TEB)  dt  Q  Ws  FA0  Hi0  Hi  i    iHi FA0 X A
i1 i1 i
0 at steady state HRX  T   heat of reaction
n n
 0  Q  Ws  FA0  Hi0  Hi  i   HRX  T FA0 XA
i1 i1
Energy & Energy & work
Accumulation of Heat shaft
energy in system = - + work added - removed by
in work
by flow in flow out
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-4

Q in a CSTR

CSTR with a heat exchanger, perfectly mixed inside and outside of reactor

FA0

Q  UA(Ta  T) Ta
T, X Ta

T, X
The heat flow to the reactor is in terms of:
• Overall heat-transfer coefficient, U
• Heat-exchange area, A
•Difference between the ambient temperature in the heat jacket, Ta, and
rxn temperature, T

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-5

Tubular Reactors (PFR/PBR)

Integrate the heat flux equation along the length of the

reactor to obtain the total heat added to the reactor :

Q   A U(Ta  T)dA   V Ua(Ta  T)dV

a: heat-exchange area per unit volume of reactor

A
a
V

dQ Heat transfer to a perfectly mixed PFR in a jacket

 Ua(Ta - T)
dV For a tubular reactor of diameter D, a = 4 / D

For a jacketed PBR (perfectly mixed in jacket):

1 dQ dQ Ua
  (Ta  T) Heat transfer to a PBR
b dV dW b
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-6

Non isothermal Reactor Design

Goal: Use TEB to design non isothermal steady-state reactors
Steady–state total energy balance (TEB):
dEˆ sys n n
 0  Q  Ws  FA0  Hi0  Hi  i   HRX  T FA0 X A
dt i1 i1
Needs to be “simplified” before we can apply it to reactor design
At a particular temperature: Hi  Hi (TR )  TT CpidT
R
no phase change 
Hi  Hi0  Hi (TR )  TT CpidT   Hi (TR )  Ti0 CpidT   Ti0 CpidT
T T
 R   R 
(Hi – Hi0) = - (Hi – Hi0) dEˆ sys n T
Substitute   Q  Ws  FA0   iCp,idT  HRX  T  FA0 X A
dt i1T i0
For a SS nonisotherm n T
0  Q  Ws  FA0   iCp,idT  HRX  T  FA0 X A
flow reactor: i1T i0
Constant (average) n
0  Q  Ws  FA0  iCp,i T  Ti0   HRX (T)FA0 XA
heat capacities : i1

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-7

Relating DHRX(T) to DH◦RX(TR) and Overall Change in

Heat Capacity
n T
0  Q  Ws  FA0   iCp,idT  HRX  T  FA0 XA
i1Ti0
T  
n n
HRX  T     iHi (TR )  TR    i pi dT
C HRX  T   H RX (TR )  TT CP dT
R
i1 i1 
n
overall heat capacity: CP    iCpi
i1 n
overall heat of reaction at reference temp: H RX  TR     iHi  TR 
i1

 
n T
0  Q  Ws  FA0   iCp,idT  H RX (TR )  TT CP dT FA0 X A
i1Ti0 R

Only considering constant (average) heat capacities:

n
0  Q  Ws  FA0  iCp,i  T  Ti0    H RX (TR )  ĈP  T  TR   FA0 X A
i1
 
T = reaction temp Ti0 = initial (feed) temp TR= reference temp
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-8

Solving TEB for Conversion

Always start with this TEB:
n
0  Q  Ws  FA0  iCp,i  T  Ti0    H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

Rearrange to isolate terms with XA on one side of eq:

n
 FA0  iCp,i  T  Ti0   Ws  Q    H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

n
FA0  iCp,i  T  Ti0   Ws  Q
Solve for XA:
 i1  XA
ˆ  T  T  F
  H RX (TR )  C
 P R  A0

Plug in Q for the specific type of reactor, and

solve this eq simultaneously with design equation

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-9

Solving TEB for XA for an Adiabatic Rxn

n
0  Q  Ws  FA0  iCp,i T  Ti0    H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

Rearrange:
n
 FA0  iCp,i  T  Ti0   Q  Ws   H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

Which term in this equation is zero because we’re solving for an adiabatic
reaction?
a) dEsys/dt d) FA0
b) Q e) None of the above
c) Ẇ
When the reaction is adiabatic (Q=0):
n
FA0  iCp,i  T  Ti0   Q  Ws   H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

n
 FA0  iCp,i  T  Ti0   0  Ws   H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-10

n
0  Q  Ws  FA0  iCp,i T  Ti0    H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

Rearrange:
n
 FA0  iCp,i  T  Ti0   Q  Ws   H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

When shaft work can be neglected (Ẇ=0) and the reaction is adiabatic (Q=0):
n
 FA0  iCp,i  T  Ti0   0  0   H RX (TR )  C
ˆ  T  T  F X
i1
 P R  A0 A

n
Solve for XA: FA0  iCp,i  T  Ti0 
 i1  XA
  H RX (TR )  C ˆ  T  T  F
 P R  A0
n Solve this eq simultaneously
 iCp,i  T  Ti0  with design equation
 i 1  X A Design eqs do not change,
  H RX (TR )  C ˆ  T  T 
 P R  except k will be a function of T
T = reaction temp Ti0 = initial (feed) temperature TR= reference temp
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-11

Non isothermal Adiabatic Operation

Constant or mean heat capacities

n
Q  Ws  FA 0  iCpi(T T i0) F X
A0 H RX R   ˆTp ) 
  (T ) C (T
R
0
i1  

For a system with no shaft work ( W s  0 ) & adiabatic operation (Q  0 ):

n
 iCpi (T  Ti0 ) Q  0
X i1
W  0
  HRX (TR )  C
ˆ (T  T ) Xenergy balance s
 p R 

CSTR, PFR, PBR, Batch

Usually, Ĉp(T T R) H (TRX) R Temperature
Adiabatic exothermic reactions

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-12

Non isothermal CSTR

FA0 X
Design equation (From mass balance) : V 
rA
Energy balance: Coupled
n
Q  Ws  FA0  iCpi (T  Ti0 )  FA0 X  HRX (TR )  C
ˆ (T  T )   0
i1
 p R 

With the exception of processes involving highly viscous materials,

the work done by the stirrer can be neglected (i.e. W s  0 )
With heat exchanger: Q  UA(Ta  T)
n
UA(Ta  T)  0  FA0  iCpi (T  Ti0 )  FA0 X  HRX (TR )  C
ˆ (T  T )  0
i1
 p R 
n
 UA(Ta  T)  FA0  iCpi (T  Ti0 )  FA0 X  HRX (TR )  Cˆ p (T  TR ) 
i1
 
UA(Ta  T) n
   iCpi (T  Ti0 )  X  HRX (TR )  C
ˆ (T  T )
FA0 i1
 p R 

UA(Ta  T)  ˆ 
n
  X HRX (TR )  Cp ( T  TR )   iCpi (T  Ti0 )
FA0   i1
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-13

Application to CSTR
Case 1: Given FA0, CA0, A, E, Cpi, H°I, and XA, calculate T & V

a) Solve TEB for T at the exit (Texit = Tinside reactor)

b) Calculate k = Ae-E/RT where T was calculated in step a
c) Plug the k calculated in step b into the design equation to calculate VCSTR

Case 2: Given FA0, CA0, A, E, Cpi, H°I, and V, calculate T & XA

a) Solve TEB for T as a function of XA
b) Solve CSTR design equation for XA as a function of T (plug in k = Ae-E/RT )
c) Plot XA,EB vs T & XA,MB vs T on the same graph. The intersection of these 2
lines is the conditions (T and XA) that satisfies the energy & mass balance
XA,EB = conversion determined from the TEB equation
XA,MB = conversion determined using the design equation

XA,exit
XA,MB Intersection is T and XA that
XA satisfies both equations
XA,EB

T Texit
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-14

Application to a Steady-State PFR

FA0 FA

XA
T

distance
Negligible shaft work (ẆS=0) and adiabatic (Q=0)

a) Use TEB to construct a table of T as a function of XA

b) Use k = Ae-E/RT to obtain k as a function of XA
c) Use stoichiometry to obtain –rA as a function of XA
d) Calculate: XA
dXA
V  FA0 
X rA  XA ,T 
A0
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
A first order reaction A(l) → B(l) is to be carried out adiabatically in a CSTR. L12-15
Given A, E, T0, 0, CA0, and FA0, find the reactor volume that produces a
conversion XA. The heat capacities of A & B are approximately equal, & ẆS=0.
a) Solve TEB for T:
n
0  Q  Ws  FA0  iCp,i T  Ti0    H RX (TR )  CP  T  TR   FA0 XA

 
n 0 0 i 1
 FA0  iCp,i T  Ti0     H RX (TR )  CP  T  TR   FA0 XA
i1
 
n
  iCp,i  T  Ti0     H RX (TR )  CP  T  TR   X A Multiply out
i1
 
n
  iCp,iT  iCp,iTi0   H RX (TR )X A  CPTX A  CPTR X A Isolate T
i1
n n
  iCp,iT  CPTX A   H RX (TR )X A  CPTR X A   iCp,iTi0
i1 i1
n 
Factor out T  T   iCp,i  CP X A   H RX (TR )X A  CPTR X A  Cp,A TA0
 i1 
Temp when n Plug in values (∆Cp,
specified  H RX (TR )X A  CPTR X A   iCp,iTi0 ∆H° (T ), C ) given
RX R p,i
XA is  T i 1
in problem statement
reached  n 
  iCp,i  CP X A  (look them up if
 i1  necessary) & solve
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
A first order reaction A(l) → B(l) is to be carried out adiabatically in a CSTR. L12-16
Given A, E, T0, 0, CA0, and FA0, find the reactor volume that produces a
conversion XA. The heat capacities of A & B are approximately equal, & ẆS=0.
a) Solve TEB for T of reaction when the specified XA is reached:
n
H RX (TR )X A  CPTR X A   iCp,iTi0
 T i1
n 
  iCp,i  CP X A 
 i1 
b) Calculate k = Ae-E/RT where T was calculated in step (a)
Look up E in a thermo book
c) Plug the k calculated for the reaction’s temperature when the specified XA
is reached (in step b) into the design equation to calculate VCSTR
FA0 X A FA0 X A FA0 X A CA00 X A
V V V V
rA kC A kC A0 1  X A  kC A0 1  X A 

0 X A
V
k 1  X A 

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
 L12-17
Now, the first order reaction A(l) → B(l) is carried out adiabatically with and
inlet temp of 300 K, CPA = 50 cal/mol∙K, and the heat of reaction = -20,000
cal/mol. Assume ẆS=0. The energy balance is:
n 0 0
FA0  iCp,i  T  Ti0   Ws  Q
XA  i 1  HRX  T   H RX (TR )  Cˆ T  T 
P R
  H RX (TR )  Cˆ  T  T  F
 P R  A0
n
 iCpi  T  T0  n
 T  T0 
i1  iCpi  1 Cp A CP
 XEB  i1 XEB  A
HRX  T  HRX  T 
From thermodynamics
XEB 50  T  300 
 XEB 
20000

From energy balance

T
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-18

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. What would be the temperature inside of a steady-state
CSTR that achieved XA= 0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
n
Start with SS EB & solve for T: 0  Q  Ws  FA0  iCp,i  T  Ti0   HRX (T)FA0 X A
i1
n
 0  0  0  FA0  iCp,i  T  Ti0   HRX (T)FA0 X A
i1
n
 FA0  iCp,i  T  Ti0     H RX  TR   CP  T  TR   FA 0 X A 
i1
 
n
  iCp,i  T  Ti0     H RX (TR )  CP  T  TR   X A
Multiply out brackets & bring
i1
  terms containing T to 1 side
n n
  iCp,iT  CP TX A  H RX (TR )X A  CP TR X A   iCp,iTi0
i1 i1
n
H RX (TR )X A  CP TR X A   iCp,iTi0
T i1
n
 iCp,i  CP X A
i1
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-19

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. What would be the temperature inside of a steady-state
CSTR that achieved XA= 0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
n
 H RX (TR ) X A  CP TR X A   iCp,iTi0
T i1
Start with SS EB & solve for T: n
 iCp,i  CP X A
i1
b 1 cal  cal  C  0
Cp  Cp  Cp  Cp   30   15 p
a B A 2  mol K  mol K
n  cal   cal  cal
A  1 B  0 I  1  i p,i   
 C = 1 15   
+ 1 15   30
i1  mo l K   mol K  m ol K

 
d
a
c
a
  b
H RX TR  H D TR  H C TR  H B TR  H A TR
a
     
1 cal   cal 
 
 H RX TR   50,000
2
   20,000
mol   m ol 
cal
  H RX TR  5000 mol  
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-20

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. What would be the temperature inside of a steady-state
CSTR that achieved XA= 0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K n
 H RX (TR ) X A  CP TR X A   iCp,iTi0
Start with SS EB & solve for T: T i1
n
 iCp,i  CP X A
i1
n
 
Cp  0 cal cal
 iCp,i  30 H RX TR  5000
i1 mol K mol

 cal   cal  cal cal

  5000  X  0   30  294K 5000 X  8820
 mol  A  mol K  mol A
mol
T T
cal cal
30 0 30
mol K mol K

T  166.67K  0.8  294K  TXA 0.8  427.3K

X A 0.8

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-21

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. What would be volume of the steady-state CSTR that
achieves XA= 0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
FA 0 X A
Solve the CSTR design eq for V at XA = 0.8 & T = 427.3K: VCSTR 
-rA
C A0 0 X A
rA  kCA Stoichiometry : C A  C A0 1  X A  Combine : VCSTR 
2

k C A0 2 1  X A 
2

dm3  10,000 cal mol  1 1 

Need k at 427.3K: k  0.02 exp    
mol  s  1.987 cal mol  K  350K 427.3  
dm3 dm3
 k  0.02 exp  2.60124   k  0.2696
mol  s mol  s
dm3
5  0.8 
 VCSTR  s  V  370.9dm 3
CSTR
dm3  mol 
1 3  1  0.8 
2
0.2696 
mol  s  dm 
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-22

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. Use the 2-point rule to numerically calculate the PFR
volume required to achieve XA=0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
• Use the energy balance to construct table of T as a function of XA
• For each XA , calculate k, -rA and FA0/-rA
• Use numeric evaluation to calculate VPFR
XA T(K) k(dm3/mol•s) -rA(mol/dm3•s) FA0/-rA(dm3)
0 294* 0.00129 0.00129
0.8 427.3* 0.2696* 0.010784
*Calculated in CSTR portion of this problem

dm3   1 1  dm3
k  0.02 exp 5032.7126K      k  0.00129
mol  s   350K 294  mol  s
dm3  mol2  mol
rA  k C A0 1  X A   rA XA 0  0.00129  
2 2
2
 1  1  0  r  0.00129
mol  s  dm6 
A X A 0
dm3 s
dm3  mol2  mol
 
2
rA X 0.8  0.2696  1  1  0.8   r  0.010784
mol  s  dm6 
A XA 0.8
A
dm3 s
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-23

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. Use the 2-point rule to numerically calculate the PFR
volume required to achieve XA=0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
• Use the energy balance to construct table of T as a function of XA
• For each XA , calculate k, -rA and FA0/-rA
• Use numeric evaluation to calculate VPFR
XA T(K) k(dm3/mol•s) -rA(mol/dm3•s) FA0/-rA(dm3)
0 294 0.00129 0.00129 3876
0.8 427.3 0.2696 0.010784 463.6

 mol  dm
3
mol
FA0  CA0 0  FA0  1 3  5 5
 dm  s s

mol mol
 FA0  5  FA0  5
 s  3876 dm3  s  463.6 dm3
   

 A  XA  0
r 0.00129
mol  rA  XA  0.8 0.010784 mol
dm3 s dm3 s

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.
The irreversible, elementary liquid-phase reaction 2A → B is carried out adiabatically L12-24

in a flow reactor with ẆS=0 and without a pressure drop. The feed contains equal molar
amounts of A and an inert liquid (I). The feed enters the reactor at 294 K with 0 = 5
dm3/s and CA0= 1 mol/dm3. Use the 2-point rule to numerically calculate the PFR
volume required to achieve XA=0.8? Extra info:
E = 10,000 cal/mol CpA= 15 cal/mol•K CpB= 30 cal/mol•K CpI = 15 cal/mol•K
∆HA°(TR) = -20 kcal/mol ∆ HB°(TR) = -50 kcal/mol ∆HI°(TR) = -15 kcal/mol
k = 0.02 dm3/mol•s at 350 K
• Use the energy balance to construct table of T as a function of XA
• For each XA , calculate k, -rA and FA0/-rA
• Use numeric evaluation to calculate VPFR
XA T(K) k(dm3/mol•s) -rA(mol/dm3•s) FA0/-rA(dm3)
0 294 0.00129 0.00129 3876
0.8 427.3 0.2696 0.010784 463.6

X1
h
   
2-point rule:  f  x  dx   f X 0  f X1  where h  X1  X 0  h  0. 8  0  h  0.8
2
X0
0 .8 
VPFR  3876dm3  463.6dm3 
2  

 VPFR  1736 dm3

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.