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Today’s Lecture
Energy Balance, Rationale and Overview
Let’s calculate the volume necessary to achieve a
conversion, X, in a PFR for a first-order, exothermic and
adiabatic reaction.
The temperature profile might look something like this:
T k X
3 V V V
Energy Balance, Rationale and Overview
Mole Balance: dX rA
dV FA0
E 1 1
Rate Law: rA ki exp C A
R T1 T
Stoichiometry: C A C A0 1 X
E 1 1
ki exp
R T1 T
C A0 1 X
Combine: dX
dV FA0
4
Energy Balance, Rationale and Overview
E 1 1
ki exp
R T1 T
C A0 1 X
dX
dV FA0
5
User Friendly Equations Relate T and X or Fi
WS 0 Cˆ P 0
X EB
C T T
i Pi 0
H oRx
C˜ PA T T0
X
H Rx
T T0
Rx X EB
H o
6 C i Pi
Adiabatic
Exothermic Endothermic
T0
T T
T0
0 XEB 0 XEB
7
User Friendly Equations Relate T and X or Fi
C
m
T
Ta
8
User Friendly Equations Relate T and X or Fi
Ta Coolant
FA0
T0
dT rAH Rx T Ua T Ta Qg Qr
dV FA0 iCPi C p X FA0 iCPi C p X
9
User Friendly Equations Relate T and X or Fi
Ua
dT
rA H Rx T
b
T Ta
dW FiCP i
10
User Friendly Equations Relate T and X or Fi
3D. PFR in terms of molar flow rates
dT rA H Rx T UaT Ta Qg Qr
dV FiCPi FiCPi
4. Batch
n
Q WS Fi 0 CPi T Ti 0 H Rx T rAV
dT
i 1
n
N C
dt
i Pi
i 1
dT
r Hij Rxij UaT Ta
i1
m
dV
FC i Pj
j 1
12 Let’s look where these User Friendly Equations came from.
Energy Balance
Reactor with no Spatial Variations
Reactor
Energy Balance
Reactor with no Spatial Variations
Q
Reactor
Rate of flow of
heat to the
system from
the
surroundings
Q
(J/s)
Energy Balance
Reactor with no Spatial Variations
Q W
Reactor
Rate of flow of
Rate of work
heat to the
system from - done by the
system on the
the
surroundings
surroundings
Q - W
(J/s) (J/s)
Energy Balance
Reactor with no Spatial Variations
Q W
Fin
Reactor
Ein
Q - W + Fin Ein
(J/s) (J/s) (J/s)
Energy Balance
Reactor with no Spatial Variations
Q W
Fin Fout
Reactor
Ein Eout
Fin Fout
Reactor
Ein Eout
dEˆ sys
dt = Q - W + Fin Ein - Fout Eout
(J/s) (J/s) (J/s) (J/s) (J/s)
Energy Balance
Q
Fi in Fi out
e.g., FA0 e.g., FA
H i in H i out
e.g., H A 0 W S e.g., H
A
dE system
Q WS Fi 0 E i 0 in Fi E i out
1
dt
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OK folks, here is what we are going to do to put the
above equation into a usable form.
1. Replace Ui by Ui=Hi-PVi
2. Express Hi in terms of heat capacities
3. Express Fi in terms of either conversion or rates
of reaction
4. Define ΔHRx
5. Define ΔCP
6. Manipulate so that the overall energy balance
is in terms of the User Friendly Equations.
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Intro to Heat Effects
Assumptions:
=0 =0
E i U i PE i KEi Other energies small compared to internal
W flow work shaft work
~ ~ ~ m3
flow work Fi 0 P0 Vi 0 Fi PVi V
mol
Recall:
H i U i PV˜i
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Intro to Heat Effects
Substituting for W
dEsys
F U i0 i0 FU Fi 0 PV
i i Q 0 i 0 Fi PVi WS
dt
Hi 0 Hi
dEsys
Fi0 U i 0 PV Fi U i PVi Q WS dt
0 i0
dEsys
F H i0 i0 Fi H i Q WS
dt
Steady State: Q F H F H 0
W
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S i0 i0 i i
Intro to Heat Effects
General Energy Balance :
F H F H
W dE system
Q S i0 i0 i i
dt
F H F H 0
W
Q S i0 i0 i i
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Intro to Heat Effects
F H i0 i0 FA 0 i Hi0
H Rx
Q WS FA0 i H i 0 H i FA0 X H Rx 0
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Intro to Heat Effects
For No Phase Changes
H i T H TR
0 T
i TR
CPidT
Enthalpy of formation at temperature TR
Constant Heat Capacities
H i T H i0 TR CPi T TR
H i0 H i CPi T T0
H H C T T
i i i
0
i i Pi R
d c b
H Rx HD HC HB HA
a a a
d c b
C P C PD C PC C PB C PA
a a a
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Intro to Heat Effects
Q WS FA0 i H i 0 H i FA0 X H Rx 0
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Adiabatic Energy Balance
Adiabatic (Q=0) and no Work (WS 0)
T T0
~
X H R TR Cˆ P T TR
T0
X H R T
~
i C Pi XC P ˆ
i C Pi XCˆ P
T
Exothermic
T0
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X
Example: Adiabatic PFR
A↔B
1) Mole Balance: dX rA
dV FA 0
CB E 1 1
2) Rate Laws: rA k C A k k1 exp
kC R T1 T
H 0X 1 1
C P 0 k C k C 2 exp
k T2 T
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Example: Adiabatic PFR
A↔B
3) Stoichiometry:
C A C A 0 1 X
CB CA0X
4) Energy Balance
H 0X X
T T0
i C Pi
First need to calculate the maximum conversion
31 which is at the adiabatic equilibrium conversion.
Example: Adiabatic PFR
Example: Adiabatic PFR
A↔B H X0 X
T T0
iCPi
Xe Adiabatic equilibrium conversion
and temperature
T
KC
X eq
33 1 KC
Example: Adiabatic PFR
We can now form a table. Set X, then calculate T, -VA,
and FA0/-rA, increment X, then plot FA0/-rA vs. X:
FA0/-rA
34
X
End of Web Lecture 19
Class Lecture 17
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