L12-1

Review: Thermochemistry for

Nonisothermal Reactor Design
FA0

XA = 0.7

FA

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

PFR (adiabatic operation- temperature increases down length of PFR):

dX A rA

Mole balance:
dV FA0

Rate law: rA kCA

RT
k

Ae
Arrhenius Equation

k k1

dX A kCA0 (1 X A ) dX A

k1
dV
CA00
dV

Stoichiometry: FA C A v 0
0
CA CA0 (1 X A )

E 1 1


R
T
T
exp 1
E 1 1

R T T
exp 1

Need relationships: X

(1 X A )
0

The energy balance provides this

relationship

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

L12-2

Review: Terms in Energy Balance

dE sys

Q&

dt

&
W

FiEi
i1

FiEi

in

i1

Rate of accum
Rate of
energy added
Heat
of energy in =
work done + to syst by
in system
by syst
mass flow in
n

& FPV
W
i i
i1

FPV
i i
in
i1

&

W
s
out

Flow work

Ei Ui

out

energy leaving syst

by mass flow out

P : pressure
WS: shaft work
Vi specific volume

Internal energy is major contributor to energy term

dE sys
dt

&- W
& F (U PV ) - F (U PV )
Q
s
i i
i in
i i
i

Steady state:

i1

i1
Hi Ui PVi
n
n
&
&
Q Ws Fi0Hi0 FH
i i
i1
i1

Energy &
Heat
shaft
Accum of energy =0=
+ work added
in
work
in system
by flow in

out

Energy & work

removed by flow out

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

L12-3

Review: Relate T to Conversion

n

i1

i1

& W
& F H FH
0Q
s
i0 i0
i i

Steady state:

Fi Fi0 iFA0 X A Fi FA0 i i X A

If XA0=0, then:

dE sys
dt

where i

i1

i1

Fi0
FA0

& W
& H F H F X
Q
s
i0 i A0
i A0
i
i A

n
n
Multiply dEsys & &
Q Ws Hi0 iFA0 HiFA0 i HiFA0 i X A
out:
dt
i1
i1
n
n
dE sys
Total energy
&
&
Hi0 Hi i iHi FA0 XA
balance (TEB) dt Q Ws FA0 i
1
i1
i
HRX T heat of reaction
0 at steady state
n

i1

i1

& W
& F H H H T F X
0Q
s
A0
i0
i
i
RX
A0 A
Energy &
Heat
shaft
Accum of energy =
+ work added
in
work
in system
by flow in

Energy & work

- removed by
flow out

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

L12-4

Review: Q in a CSTR
CSTR with a heat exchanger, perfectly mixed inside and outside of reactor
FA0

& UA(T T)
Q
a

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

Review: Tubular Reactors (PFR/PBR):

Integrate the heat flux equation along the length of the
reactor to obtain the total heat added to the reactor :
& A U(T T)dA V Ua(T T)dV
Q
a
a
a: heat-exchange area per unit volume of reactor
A
a
V
&
dQ
Ua(Ta - T)
dV

Heat transfer to a perfectly mixed PFR in a jacket

For a tubular reactor of diameter D, a = 4 / D

For a jacketed PBR (perfectly mixed in jacket):

& dQ
& Ua
1 dQ

(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

L12: Nonisothermal Reactor Design

Goal: Use TEB to design nonisothermal steady-state reactors
Steadystate total energy balance (TEB):
n
n
dE sys
&
&
0 Q Ws FA0 Hi0 Hi i HRX T FA0 X A
dt
i1
i1
Needs to be simplified before we can apply it to reactor design
At a particular temperature: Hi Hio(TR ) TT CpidT
R

no phase change

T
T
Hi Hi0 Hio(TR ) TT CpidT Hio(TR ) Ti0 CpidT Ti0 CpidT

R
(Hi Hi0) = - (Hi Hi0)
n T
dE sys
&
&
Q Ws FA0 iCp,idT HRX T FA0 X A
Substitute
dt
i1T
i0
n T

For a SS nonisotherm 0 Q
& W
& F C dT H T F X
s
A0
i p,i
RX
A0 A
flow reactor:
i1T
i0

n
Constant (average)
&
&
0 Q Ws FA0 iCp,i T Ti0 HRX (T)FA0 X A
heat capacities :
i1
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.

Relating HRX(T) to HRX(TR) and

Overall Change in Heat Capacity

L12-7

n T

& W
& F C dT H T F X
0Q
s
A0
i p,i
RX
A0 A
HRX T

i1Ti0

o
T
iHi (TR ) T iCpi
R i1

i1
n

o
T
dT HRX T H RX (TR ) TR CP dT
n

overall heat capacity: CP iCpi

overall heat of reaction at reference t emp:
n T

i1
HoRX

TR

iHio TR
i1

& W
& F C dT Ho ( T ) T C dT F X
0Q
s
A0
i p,i
RX R
P
A0 A
TR
i1Ti0

Only considering constant (average) heat capacities:

n

& W
& F C T T Ho (T ) C
T T F X
0Q
s
A0
i p,i
i0
R
X
R
P
R A0 A

i1
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

& W
& F C T T Ho (T ) C T T F X
0Q
s
A0
i p,i
i0
RX R
P
R
A0 A

i1
Rearrange to isolate terms with XA on one side of eq:
n

& Ho (T ) C T T F X
& Q
FA0 iCp,i T Ti0 W
s
RX R
P
R
A0 A

i1
n

Solve for XA:

&
& Q
FA0 iCp,i T Ti0 W
s

i1

HoRX (TR ) C
P

T TR

FA0

XA

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

& W
& F C T T Ho (T ) C
T T F X
0Q
s
A0
i p,i
i0
RX
R
P
R
A0 A

i1
Rearrange:
n

& W
& Ho (T ) C
T T F X
FA0 iCp,i T Ti0 Q
s
RX R
P
R
A0 A
i1
Which term in this equation is zero because were solving for an adiabatic
reaction?
a) dEsys/dt
&
b) Q
c)
d) FA0 is adiabatic (Q=0):
When the reaction
n e) None of the above
& W
& Ho (T ) C
T T F X
FA0 iCp,i T Ti0 Q
s
RX R
P
R
A0 A
i1
n

& Ho (T ) C
T T F X
FA0 iCp,i T Ti0 0 W
s
RX R
P
R
A0 A
i1
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois, Urbana-Champaign.

L12-10

Solving TEB for XA for an Adiabatic Rxn

n

& W
& F C T T Ho (T ) C
T T F X
0Q
s
A0
i p,i
i0
RX
R
P
R
A0 A

i1
Rearrange:
n

& W
& Ho (T ) C
T T F X
FA0 iCp,i T Ti0 Q
s
RX R
P
R
A0 A
i1
When shaft work can be neglected (=0) and the reaction is adiabatic (Q=0):
n

T T F X
FA0 iCp,i T Ti0 0 0 HoRX (TR ) C
P
R
A0 A

i1
n

Solve for XA:

FA0 iCp,i T Ti0

i1

HoRX (TR ) C
P

T TR

iCp,i T Ti0

i1

HoRX (TR ) C
P

T TR

XA

FA0

XA

Solve this eq simultaneously

with design equation
Design eqs do not change,
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

Nonisothermal Adiabatic Operation

Constant or mean heat capacities
n

& W
%( T T ) F X Ho ( T ) C ( T T ) 0
& F C
Q
s
A0
i pi
i0
A0
RX R
p
R
i1

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

n

% (T T )
iC
pi
i0

i1
o
(T T )
HRX
(TR ) C
p
R

Xenergy balance

Q 0
W 0
s

CSTR, PFR, PBR, Batch

( T T ) Ho ( T )
Usually, C
p
R
RX R

Temperature
Adiabatic exothermic reactions

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

L12-12

Nonisothermal CSTR
Design equation (From mass balance) : V

FA0 X
rA

Coupled
Energy balance:
n
&
% (T T ) F X Ho (T ) C
&
(T T ) 0
Q Ws FA0 iC
pi
i0
A0
RX R
p
R
i1
With the exception of processes involving highly viscous materials,
the work done by the stirrer can be neglected (i.e. W s 0 )
& UA(T T)
With heat exchanger: Q
a

% (T T ) F X Ho (T ) C
(T T ) 0
UA(Ta T) 0 FA0 iC
pi
i0
A0
RX R
p
R
i1
n

% (T T ) F X Ho (T ) C (T T )
UA(Ta T) FA0 iC
pi
i0
A0
RX R
p
R
i1
UA(Ta T) n %
o
(T T )

iCpi (T Ti0 ) X HRX

(TR ) C
p
R

FA0
i1
n
UA(Ta T)
o
% (T T )

X HRX (TR ) Cp ( T TR ) iC
pi
i0

i1
FA0

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, HI, 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 V CSTR
Case 2: Given FA0, CA0, A, E, Cpi, HI, 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

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

PFR
PFR

FA0

FA
XA

distance
Negligible shaft work (S=0) and adiabatic (Q=0)
a)
b)
c)
d)

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

Use k = Ae-E/RT to obtain k as a function of XA
Use stoichiometry to obtain rA as a function of XA
XA
dX A
Calculate:
V FA0
rA X A ,T
X
A0

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

L12-15
A first order reaction A(l) B(l) is to be carried out adiabatically in a CSTR.
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, & S=0.
a) Solve TEB for T: n
& W
& F C T T Ho (T ) C T T F X
0Q
s
A0
i p,i
i0
RX R
P
R
A0 A

i1
0 0
n
FA0 iCp,i T Ti0 HoRX (TR ) CP T TR FA0 X A

i1

iCp,i T Ti0 HoRX (TR ) CP T TR X A Multiply out

i1

iCp,iT iCp,iTi0 HoRX (TR )X A CP TX A CPTR X A Isolate T

i1

iCp,iT CP TX A
i1

HoRX (TR )X A

CPTR X A iCp,iTi0
i1

Factor out T T iCp,i CP X A HoRX (TR )X A CPTR X A Cp,A TA0

i1

Temp when
Plug in values (Cp,
n
o
specified
H RX (TR )X A CPTR X A iCp,iTi0 H (T ), C ) given
RX
R
p,i
i1
XA is
T
in problem statement
n

reached
(look them up if
iCp,i CP X A
i1

necessary) & solve

n

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

L12-16
A first order reaction A(l) B(l) is to be carried out adiabatically in a CSTR.
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, & S=0.
a) Solve TEB for T of reaction when the specified XA is reached:

HoRX (TR )X A

CPTR X A iCp,iTi0

i1

iCp,i CP X A
i1

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 reactions temperature when the specified X A
is reached (in step b) into the design equation to calculate V CSTR
FA0 X A
FA0 X A
FA0 X A
C A00 X A
V
V
V
V
rA
kC A
kC A0 1 X A
kC A0 1 X A
V

0 X A
k 1 XA

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/molK, and the heat of reaction = -20,000
cal/mol. Assume S=0. The energy balance is:
0 0
n
&
& Q
FA0 iCp,i T Ti0 W
s
o
TT

H
T

H
(T
)

1
RX
RX
R
P
R
XA
T T F
HoRX (TR ) C
P
R
A0

XEB
XEB

% TT
iC
pi
0

i1

HRX T

iCpi 1 Cp A

XEB

i1

T T0
HRX T

CP

From thermodynamics
XEB

50 T 300
20000

From energy balance

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

L12-18 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
n
k = 0.02 dm3/mols at 350 K
&
&
Start with SS EB & solve for T: 0 Q Ws FA0 iCp,i T Ti0 HRX (T)FA0 X A

i1

0 0 0 FA0 iCp,i T Ti0 HRX (T)FA0 XA

i1

FA0 iCp,i T Ti0 HoRX TR CP T TR

i1

FA0 X A

iCp,i T Ti0 HoRX (TR ) CP T TR X A Multiply out brackets & bring

terms containing T to 1 side

i1
n

iCp,i T CP TX A
i1

HoRX (TR )X A

CP TR X A iCp,iTi0
n

i1

HoRX (TR )X A CP TR X A iCp,iTi0

n

i1

iCp,i CP X A

i1

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

L12-19 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
n
o
k = 0.02 dm3/mols at 350 K
H (T )X C T X C T

Start with SS EB & solve for T:

RX

P R

i p,i i0

i1

iCp,i CP X A

i1

1
cal
cal C 0
b

15
Cp Cp Cp 30
p

A
2
molgK
molgK
a B
n
cal
cal
cal

1 B 0 I 1
iCp,i = 1 15
+ 1 15
30
mo
l
g
K
mo
l
g
K
molgK

i1
d
c
b
HoRX TR HoD TR HoC TR HoB TR HoA TR
a
a
a
Cp

1
cal
HoRX TR 50,000

2
mol

cal
cal

o
20,000 H RX TR 5000
mol
m ol

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

L12-20 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
n
o
H RX (TR )X A CP TR X A iCp,iTi0
k = 0.02 dm3/mols at 350 K
i1
Start with SS EB & solve for T: T
n

iCp,i CP X A

Cp 0

iCp,i 30

i1

cal
molgK

i1

cal
HoRX TR 5000
mol

cal
cal

cal
cal
5000
X

30
5000
X A 8820
A

294K
mol
molgK

mol
mol
T
T
cal
cal
30
0
30
molgK
molgK
TX

A 0.8

166.67K 0.8 294K

TXA 0.8 427.3K

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

L12-21 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
k = 0.02 dm3/mols at 350 K
FA 0 X A
Solve the CSTR design eq for V at XA = 0.8 & T = 427.3K: VCSTR
-rA

rA kCA

Stoichiometry : C A C A 0 1 X A Combine : VCSTR

CA0 0 X A

k C A0 2 1 X A

10,000 cal mol

dm3
1
1
Need k at 427.3K: k 0.02
exp

350K 427.3
mol s
1.987
cal
mol

dm3
dm3
k 0.2696
k 0.02
exp 2.60124
mol s
mol s
dm3
5
0.8
3
s

370.9dm
VCSTR
CSTR
dm3 mol
2
0.2696
1
1

0.8

mol s dm3

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

L12-22 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
3
k=
350 K to construct table of T as a function of X
Usedm
the /mols
energyatbalance
0.02
A

For each XA , calculate k, -rA and FA0/-rA

Use numeric evaluation to calculate VPFR
XA
T(K)
k(dm3/mols)
0
294*
0.00129
0.8

427.3*

0.2696*

-rA(mol/dm3s)

FA0/-rA(dm3)

0.00129
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
2
2
2
1
1

0.00129
rA k CA 0 1 X A rA XA 0 0.00129

A X A 0
mol s dm6
dm3 gs
dm3 mol2
mol
2
rA X 0.8 0.2696
1
1

0.8

0.010784

A XA 0.8
A
mol s dm6
dm3 gs

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

L12-23 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
3
k=
350 K to construct table of T as a function of X
Usedm
the /mols
energyatbalance
0.02
A

For each XA , calculate k, -rA and FA0/-rA

Use numeric evaluation to calculate VPFR
XA
T(K)
k(dm3/mols)
0
294
0.00129
0.8

FA0

r
A X

FA0/-rA(dm3)

0.2696

0.010784

463.6

FA0 CA 0 0 FA 0

mol
dm3
mol
1 3 5
5
s
s
dm

427.3

mol
s

3876 dm3
mol
0.00129
dm3 gs
5

-rA(mol/dm3s)
0.00129

3876

FA0

r
A X

0.8

mol
s

0.010784

mol
dm3 gs

463.6 dm3

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

L12-24 in
The irreversible, elementary liquid-phase reaction 2A B is carried out adiabatically
a flow reactor with S=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/molK
CpB= 30 cal/molK
CpI = 15 cal/molK
HA(TR) = -20 kcal/mol
HB(TR) = -50 kcal/mol HI(TR) = -15 kcal/mol
3
k=
350 K to construct table of T as a function of X
Usedm
the /mols
energyatbalance
0.02
A

For each XA , calculate k, -rA and FA0/-rA

Use numeric evaluation to calculate VPFR
XA
T(K)
k(dm3/mols)
0
294
0.00129
0.8
427.3
0.2696

-rA(mol/dm3s)
0.00129
0.010784

FA0/-rA(dm3)
3876
463.6

X1
h
2-point rule: f x dx f X0 f X1
where h X1 X0 h 0.8 0 h 0.8
2
X0
0.8
VPFR
3876dm3 463.6dm3

VPFR 1736 dm3

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