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https://www.scribd.com/doc/92974870/ChE441Conversion
10/06/2013
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and Reaction Engineering
Reaction Conversion
David A. Rockstraw, Ph.D., P.E.
New Mexico State University
Chemical Engineering
Reaction Conversion
• Consider the general reaction;
• on a “per mole of A basis”…
dD cC bB aA + ÷ +
D
a
d
C
a
c
B
a
b
A

.

\

+

.

\

÷

.

\

+
Reaction Conversion
• The conversion of A (X
A
) is defined as:
fed A moles
reacted A moles
X
A
÷
D
a
d
C
a
c
B
a
b
A

.

\

+

.

\

÷

.

\

+
Conversion (Batch System)
• Consider the batch reactor mole balance:
(
(
(
¸
(
¸
÷
(
(
(
¸
(
¸
=
=
(
(
(
¸
(
¸
reaction
consumed
A of moles
0 at t
fed initially
A of
at t
reactor in
A of moles
by
moles
X N N N
Ao Ao A
÷ =
Ao
A Ao
N
N N
X
÷
=
( ) X 1 N N
Ao A
÷ =
Batch Reactor Design Equation
• Recall the batch reactor design equation
V r
dt
dN
A
A
=
( ) X 1 N N
Ao A
÷ =
V r
dt
dX
N
A Ao
÷ =
( )
}
÷
=
t X
0
A
Ao
V r
dX
N t
differential form
integral form
Conversion (Flow System)
• Consider the flow reactor mole balance:
(
(
(
¸
(
¸
=
(
(
(
¸
(
¸
÷
(
(
(
¸
(
¸
system the within
consumed is A
at which rate molar
system from
A of rate
flow molar
system into
A of rate
flow molar
X F F F
Ao Ao A
÷ =
Ao
A Ao
F
F F
X
÷
=
( ) X 1 F F
Ao A
÷ =
CSTR Design Equations
• Recall the CSTR Design Equation:
( ) X 1 F F
Ao A
÷ =
A
A Ao
r
F F
V
÷
÷
=
( )
exit
A
Ao
r
X F
V
÷
=
PFR Design Equations
• Recall the PFR Design Equation:
( ) X 1 F F
Ao A
÷ =
A Ao
r
dV
dX
F ÷ =
A
A
r
dV
F d
=
}
÷
=
X
0
A
Ao
r
dX
F V
differential form integral form
Application of Design Equations
• Consider a single reaction system with functional
dependence as;
( ) X 1 kC r
Ao A
÷ = ÷
( ) X 1
1
kC
1
r
1
Ao A
÷
=
÷
Application of Design Equations
• For the CSTR;
X vs
r
1
A
÷
VoF :=
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
2
3
4
5
6
7
8
1 ÷
r x ( )
x
A Ao
r
X
F
V
÷
=
Application of Design Equations
• For the PFR;
X vs
r
1
A
÷
VoF :=
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
2
3
4
5
6
7
8
1 ÷
r x ( )
x
}
÷
=
X
0
A Ao
r
X
F
V
Comparison
• PFR always requires less volume than a
CSTR to achieve a given conversion.
VoF :=
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
2
3
4
5
6
7
8
1 ÷
r x ( )
x
Reactors in Series
F
A,1
X
1
F
A,2
X
2
F
A,3
X
3
V
3
V
1
F
A,0
3 0 , A 0 , A 3 , A
2 0 , A 0 , A 2 , A
1 0 , A 0 , A 1 , A
X F F F
X F F F
X F F F
÷ =
÷ =
÷ =
reactor first to feed in A of moles
2 point to up reacted A moles
X
2
÷
Where the conversion for successive
reactors is defined as:
V
2
Reactors in Series
( )
1 , A
1 0 , A
1
r
X 0 F
V
÷
÷
=
F
A,1
X
1
F
A,2
X
2
F
A,3
X
3
V
3
V
1
F
A,0
V
2
Reactors in Series
( )
1 , A
1 0 , A
1
r
X 0 F
V
÷
÷
=
F
A,1
X
1
F
A,2
X
2
F
A,3
X
3
V
3
V
1
F
A,0
V
2
}
÷
=
2
1
X
X
A
0 , A 2
r
dX
F V
Reactors in Series
( )
1 , A
1 0 , A
1
r
X 0 F
V
÷
÷
=
F
A,1
X
1
F
A,2
X
2
F
A,3
X
3
V
3
V
1
F
A,0
V
2
}
÷
=
2
1
X
X
A
0 , A 2
r
dX
F V
( )
3 , A
2 3 0 , A
3
r
X X F
V
÷
÷
=
Reactors in Series
( )
1 , A
1 0 , A
1
r
0 X F
V
÷
÷
=
F
A,1
X
1
F
A,2
X
2
F
A,3
X
3
V
3
V
1
F
A,0
V
2
}
÷
=
2
1
X
X
A
0 , A 2
r
dX
F V
( )
3 , A
2 3 0 , A
3
r
X X F
V
÷
÷
=
V
3
V
1
A
r
1
÷
X
1
X
2
X
3
V
2
Relative Reaction Rates
• Relative reaction rates of the species involved in
a reaction can be obtained from the
stoichiometric coefficients:
dD cC bB aA + ÷ +

.

\

=

.

\

=

.

\

÷
=

.

\

÷ d
r
c
r
b
r
a
r
D C B A
Space Time (t)
• Time necessary to process
1 reactor volume of fluid at
entrance conditions
– Also called residence time or holding time
– 1/t is referred to as the Space Velocity
– For a PFR,
o
V
v
= t
}
÷
= t
X
0
A
Ao
r
dX
C
}
÷
=
X
0
A
Ao
r
dX
F V
Example CD P2D
B
A 400 L CSTR and a 100 L PFR are available to process 1.0 L/s of feed. Feed contains: 41% A,
41% B, 18% inerts. Consider the irreversible, gasphase reaction A + B ÷ C to be carried
out at 10 atm, 227°C.
a. Estimate the volume of a PFR required to achieve 30% conversion of A for an entering
volumetric flow rate of 2 m
3
/min.
b. Estimate the volume of a CSTR required to take the effluent from the PFR above and
achieve 50% total conversion (based on species A fed to the PFR).
c. What is the total volume of the two reactors?
d. What volume of a single PFR is necessary to achieve 60 & 80% conversion?
e. What is the volume of a single CSTR necessary to achieve 50% conversion?
f. What volume of a 2nd CSTR is needed to raise conversion from 50 to 60%?
g. Plot the rate of reaction and conversion as a function of PFR volume
h. Give a critique of the answers to this problem.
r
A
0.2 0.0167 0.00488 0.00286 0.00204
X 0.0 0.1 0.4 0.7 0.9
Reaction Conversion
• Consider the general reaction;
aA bB cC dD
• on a “per mole of A basis”…
b c d A B C D a a a
Reaction Conversion • The conversion of A (XA) is defined as: moles A reacted XA moles A fed b c d A B C D a a a .
Conversion (Batch System) • Consider the batch reactor mole balance: moles of A moles of A moles of A in reactor initially fed consumed at t 0 by reaction at t N A N Ao N Ao X N Ao N A X N Ao N A N Ao 1 X .
Batch Reactor Design Equation • Recall the batch reactor design equation dNA rA V dt dX N Ao rA V dt differential form N A N Ao 1 X t N Ao Xt 0 dX rA V integral form .
Conversion (Flow System) • Consider the flow reactor mole balance: molar flow molar flow molar rate at which rate of A rate of A A is consumed into system from system within the system FA FAo FAoX FAo FA X FAo FA FAo 1 X .
CSTR Design Equations • Recall the CSTR Design Equation: FAo FA V rA FAoX V rA exit FA FAo 1 X .
PFR Design Equations • Recall the PFR Design Equation: dFA rA dV FA FAo 1 X dX FAo rA dV differential form V FAo X 0 dX rA integral form .
Application of Design Equations • Consider a single reaction system with functional dependence as. rA kC Ao 1 X 1 1 1 rA kC Ao 1 X .
2 0.1 0.6 0.3 0.7 0.Application of Design Equations • For the CSTR.8 .5 0.4 x 0. V X FAo rA 8 VoF 1 vs X rA 7 6 1 r( x) 5 4 3 2 0 0.
7 0.2 0. X X V FAo 0 rA 8 VoF 1 vs X rA 7 6 1 r( x) 5 4 3 2 0 0.3 0.6 0.8 .5 0.1 0.4 x 0.Application of Design Equations • For the PFR.
8 .Comparison • PFR always requires less volume than a CSTR to achieve a given conversion.2 0.6 0.3 0.5 0.1 0.4 x 0.7 0. VoF 8 7 6 1 r( x) 5 4 3 2 0 0.
0 V1 FA. 0 X1 FA . 0 FA . 0 X 2 FA . 0 FA .Reactors in Series FA. 2 FA .1 FA . 0 X 3 Where the conversion for successive reactors is defined as: moles A reacted up to point 2 X2 moles of A in feed to first reactor .2 X2 V3 FA.1 X1 V2 FA.0 FA .3 X3 FA .3 FA .
1 .1 X1 V2 FA.0 V1 FA.Reactors in Series FA.2 X2 V3 FA.0 0 X1 rA.3 X3 V1 FA.
0 X2 X1 dX rA .0 V1 FA.0 0 X1 rA.1 V2 FA .3 X3 V1 FA.2 X2 V3 FA.1 X1 V2 FA.Reactors in Series FA.
2 X2 V3 FA. 0 X2 X1 dX rA V3 FA.3 .Reactors in Series FA.0 X3 X 2 rA.1 V2 FA .0 V1 FA.3 X3 V1 FA.1 X1 V2 FA.0 0 X1 rA.
0 X1 0 rA .3 .2 X2 V3 FA.Reactors in Series FA.0 dX rA V2 X2 X3 V3 FA .0 X 3 X2 rA .1 X1 V2 FA.3 X3 V1 1 rA V1 X1 FA .0 V1 FA.1 X2 X1 V3 V2 FA .
Relative Reaction Rates • Relative reaction rates of the species involved in a reaction can be obtained from the stoichiometric coefficients: aA bB cC dD rA rB rC rD a b c d .
V FAo X 0 dX rA C Ao X 0 dX rA .Space Time () • Time necessary to process 1 reactor volume of fluid at entrance conditions V o – Also called residence time or holding time – 1/ is referred to as the Space Velocity – For a PFR.
b. What volume of a single PFR is necessary to achieve 60 & 80% conversion? e. 18% inerts. 41% B.4 0. Estimate the volume of a CSTR required to take the effluent from the PFR above and achieve 50% total conversion (based on species A fed to the PFR). Give a critique of the answers to this problem. 227°C.00488 0. What is the volume of a single CSTR necessary to achieve 50% conversion? f. Feed contains: 41% A. Estimate the volume of a PFR required to achieve 30% conversion of A for an entering volumetric flow rate of 2 m3/min.2 0. Plot the rate of reaction and conversion as a function of PFR volume h.00204 0. c.7 0.9 a. What is the total volume of the two reactors? d.Example CD P2DB A 400 L CSTR and a 100 L PFR are available to process 1.0 L/s of feed. rA X 0.00286 0.1 0.0 0.0167 0. gasphase reaction A + B C to be carried out at 10 atm. What volume of a 2nd CSTR is needed to raise conversion from 50 to 60%? g. . Consider the irreversible.
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