Reactor

Differential

Algebraic

Integral

Batch

N A0

CSTR
PFR

dX
rAV
0

t N A0

dX
r AV
dt

dX
FA0
rA
dV

FA0 X
rA
X

V FA0
0

dX
rA

X
PBR
1

dX
FA0
rA
dW

W FA0
0

dX
rA

How to find

rA f X

Step 1: Rate Law

Step 2: Stoichiometry

Ci hX

Step 3: Combine
to get

rA f X

rA gCi

Mole Balance

Rate Laws

These topics build upon one another

Stoichiometry

Species

Symbol

Reactor Feed

Change

Reactor Effluent

FA0

-FA0X

FA=FA0(1-X)

FB0=FA0B

-b/aFA0X

FB=FA0(B-b/aX)

FC0=FA0C

+c/aFA0X

FC=FA0(C+c/aX)

FD0=FA0D

+d/aFA0X

FD=FA0(D+d/aX)

Inert

FI0=FA0I

----------

FI=FA0I

FT0

Where:

Fi 0 Ci 00 Ci 0
y

i0
FA0 C A00 C A0 y A0

Concentration Flow System C A

FT=FT0+FA0X

and
FA

d c b
1
a a a

Concentration Flow System: C A

Liquid Phase Flow System:

CA
CB

etc.
5

FA

FA0 1 X

FA

C A0 1 X Flow Liquid Phase

N B N A0
b
b

X
B

A0
B
V
V0
a
a

If the rate of reaction were

then we would have

rA kCACB

rA C A0

1 X B X
a

This gives us rA f X

FA0
rA

Combining the compressibility factor equation of

state with Z = Z0
Stoichiometry:

P
CT
ZRT
P0
CT 0
Z 0 R0T0
FT CT
FT 0 CT 0 0

We obtain:
7

FT P0 T
0
FT 0 P T0

FA
C A FA
FT
0
F0

P T0 FT 0 P T0


P0 T 0 P0 T

CT 0 FT 0 0
FB
CB CT 0
FT
8

P T0

P0 T

The total molar flow rate is: F F F X

T
T0
A0

Substituting FT gives: 0 FT 0 FA0X

FT 0

T P0

T0 P

FA0
T P0
0 1
X
FT 0
T0 P
T P0
0 1 y A0X
T0 P
9

T P0
0 1 X
T0 P

Concentration Flow System: C A

Gas Phase Flow System:

CA

10

FA

FA

T P0
0 1 X
T0 P

FA0 1 X
C 1 X T0 P
A0
T P0
1 X T P0
0 1 X
T0 P

b
b

FA0 B X C A0 B X
FB
a
a T0 P

CB

P
T
1 X T P0
1 X
0
0
T0 P

If rA=kCACB

1 X B a X P T 2

2
0

rA k AC A0
1 X 1 X P0 T

This gives us
FA0/-rA
11

12

Xef
Consider the following elementary reaction with KC=20 dm3/mol
and CA0=0.2 mol/dm3.
Calculate Equilibrium Conversion or both a batch reactor (Xeb)
and a flow reactor (Xef).

2A B

13

2 CB
rA k A C A

KC

2A B
X eb 0.703
X ef ?

Solution:

Rate law:

2 CB
rA k A C A

K
C

1
A B
2

14

Species
A
B

15

Fed
FA0
0
FT0=FA0

Change
-FA0X
+FA0X/2

Remaining
FA=FA0(1-X)
FB=FA0X/2
FT=FA0-FA0X/2

FA0

-FA0X

FA=FA0(1-X)

FA0X/2

FB=FA0X/2

Stoichiometry:

Gas isothermal T=T0, isobaric P=P0

V V0 1 X

FA 0 1 X CA 0 1 X
CA

V0 1 X
1 X

16

FA 0 X 2
CA 0 1 X
CB

V0 1 X 21 X

 C 1 X 2

C A0 X
A0

rA k A

1 X 21 X K C
Pure A yA0=1, CA0=yA0P0/RT0, CA0=P0/RT0

1
1
y A0 1 1
2
2
@ eq: -rA=0

2 K C C A0
17

X e 1 X e

1 X e 2

2 K C C A0

dm3
mol
0.2 3 8
2 20
dm
mol

1 1
y A 0 1 1
2 2
8

X e 0.5X e 2

1 2X

X
e
e

8.5X e 2 17X e 8 0
18

Flow: X ef 0.757

Recall

Batch: X eb 0.70

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