Chapter 6

11/10/15
REACTION ENGINEERING
CKB 20104
Chapter 6
Non-isothermal Reactor
Design
Dr. Kelly Yong Tau Len
Section of Chemical E ngineering Technology UniKL MICET
Tel: 06-5512051
Email: k ytlen@unikl.edu.my, E -learning: CKB20104 Kelly Yong
E-Learning Online
Laboratory Quiz
Attempts allowed: 1
The quiz will be available from
Sunday, 8 November 2015, 12:00 AM
This quiz will close at
Sunday, 15 November 2015, 11:59 PM
Time limit: 15 minutes
Note: Please submit the attempt before the
time expired or they are not counted
11/10/15
Chapter 6
6.1 T he energy balance

6.2 Algorithms for non-isothermal reaction design
6.3 Equilibrium conversion
6.4 Multiple steady-state
Objectives
Upon the completion of this chapter, students are able to:
o Describe the algorithm for CSTRs that are not
operated isothermally.
o Size adiabatic and non adiabatic CSTRs.
o Analyze NON-ISOTHERMAL REVERSIBLE reactions
o Carry out an analysis to determine the Multiple Steady
States (MSS) in a CSTR
6.1 The Energy Balance
WHY WE NEED TO LEARN ENERGY BALANCE IN REACTION

ENGINEERING?
1. At times we need to calculate the volume necessary

to achieve a conversion, X in a reactor.
2. For an exothermic reaction, the temperature profile
vs. volume is given below
Reaction Temperature
influenced
the Reactor Volume
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Lets say we have a CSTR and given a first order, exothermic

liquid reaction carried out adiabatically (no heat loss or gained in
the system).
1.Design equation for CSTR
VCSTR =
FA0 X
rA
2. Rate Law (First Order Reaction)

rA = kC A
3.Because there is change of temperature during reaction therefore
( Ea " 1 1 %+
k = k1 exp * $$ ''*) R # T1 T &-,
4.Stochiometry for liquid phase gives
C A = C A0 (1 X )

4. We combine equation 1, 2,3 and 4 to obtain
1st
Unknown
VCSTR =
FA0 X
( E " 1 1 %+
k1exp * a $$ ''- C A0 (1 X)
*) R # T1 T &-,
2nd
Unknown
3rd
Unknown
In this equation, we have 3 unknowns (Volume, Temperature

and Conversion) which need to be solved.
Therefore we need another relationship relating X and T or T
and V.
This additional relationship can be found through energy
balance equation
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First Law Of Thermodynamics
Outlet Molar
Flow Rate
Heat to the
system
Inlet Molar
Flow Rate
Inlet
Enthalpy
Outlet
Enthalpy
Work done by
system

First Law Of Thermodynamics
General E nergy B alance o f A n Open S ystem

Heat to t he
system
QW + Eio Fio Ei Fi =
Work done
by t he
system
i=1
Total sum or
energy in
i=1
d Esys
dt
Total sum or
energy out
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1. In terms of enthalpy (for open system), the energy balance
becomes
QW + H io Fio H i Fi =
i=1
d Esys
i=1
dt
1. And for steady state operation (accumulation = 0), the energy

balance now becomes
QW + H io Fio H i Fi = 0
i=1
i=1
We derive further this p art
10
b
c
d
A+ B C + D
a
a
a
In : H i0 Fi0 = H A0 FA0 +H B0 FB0 + H C 0 FC 0 + H D0 FD0 + H I 0 FI 0
Out : H i Fi = H A FA +H B FB + H C FC + H D FD + H I FI
SPECIES
INITIAL (MOL)
REMAINING (MOL)
FA0
FA = FA0 (1 X)
FB0 = FA0 B
FC 0 = FA0C
FD0 = FA0 D
b
FB = FA0 ( B X)
a
c
FC = FA0 (C + X)
a
d
FD = FA0 ( D + X)
a
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11

n
F H i Fi = H A0 FA0 + H B0 FB0 + H C 0 FC 0 + H D0 FD0 (H A FA + H B FB + H C FC + H D FD )
i0 i0
i=1
i=1
= H A0 FA0 H A FA + H B0 FB0 H B FB + H C 0 FC 0 H C FC + H D0 FD0 H D FD

$
b '
= H A0 FA0 H A FA0 (1 X) + H B0 B FA0 H B FA0 & B X )
%
a (
$
$
c '
d '
+H C 0C FA0 H C FA0 & C + X ) + H D0 D FA0 H D FA0 & D + X )
%
%
a (
a (
b
= H A0 FA0 H A FA0 + H A FA0 X + H B0 B FA0 H B B FA0+ H B FA0 X
a
c
d
+H C 0C FA0 H C C FA0 H C FA0 X + H D0 D FA0 H D D FA0 H D FA0 X
a
a
= FA0 ( H A0 H A ) + B FA0 ( H B0 H B ) + C FA0 ( H C 0 H C ) + D FA0 ( H D0 H D )
b
c
d
X H C FA0 X H D FA0 X
a
a
a
= FA0 [( H A0 H A ) + B ( H B0 H B ) + C ( H C 0 H C ) + D ( H D0 H D )]
+H A FA0 X + H B FA0
$d
'
c
b
& H D + H C H B H A ) FA0 X
%a
(
a
a
12

n
H
i=1
n
i0
Fi0 H i Fi =
i=1
= FA0 [ H A0 H A + B H B0 H B + C H C 0 H C + D H D0 H D ]
$d
'
c
b
& H D + H C H B H A ) FA0 X
a
a
a
%
(
FAO i (H io H i )
i=1
H Rx(T ) FAO X
Heat o f Reaction
1. From the o riginal e nergy b alance e quation
Q W + H io Fio H i Fi = 0
i=1
i=1
1. With manipulation o f the molar flow rates, we o btain the e nergy b alance
QW + FAO i (H io H i ) H Rx(T ) FAO X = 0

i=1
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13

4. From equation 3 p reviously
QW + FAO i (H io H i ) H Rx(T ) FAO X = 0

i=1
5. We know the e nthalpy term is d efined a s following

Reaction T
To Entrance T' $
T
$
'
o
H io H i = H i (T ) = & H f,io
+ C P dT ) & H f,io + C P dT )
&%
)(
TR Reference )
TR
(T &%
T
H io H i = C Pi dT = C Pi (T To )
To
6. Therefore the e nergy b alance n ow b ecomes
Q W FAO iCPi (T To ) H Rx(T ) FAO X = 0

i=1
14

QW FAO iC Pi (T To ) H Rx(T ) FAO X = 0

i=1
7. We know the h eat o f reaction, HRx term is d efined a s following
H Rx(T ) = H Rx(T ) + C P (T TR )
R
9. Therefore the e nergy b alance n ow b ecomes
QW FAO iC Pi (T To ) FAO X %&H Rx(T ) + C P (T TR )'( = 0

i=1
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15

Q W FAO iCPi (T To ) FAO X %&H Rx(TR ) + CP (T TR )'( = 0

i=1
8. Work, W can b e separated into flow work a nd o ther work, Ws. The term Ws
(shaft work) could b e p roduced from S TIRRER in CSTR or turbine in P FR.
Flow work are u sually n egligible compared to o ther terms therefore it is
omitted.
9. Therefore the FINAL e nergy b alance is
Q Ws FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

i=1
Equation are given in Exam!
16
Now we learn to
apply the Energy
Balance
equation
8
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(Heat Capacity, Cpi)
17
Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

i=1
1. Typical unit for heat capacity, Cpi of a reactant is represented

as J/mol.K
n
iCPi
2. The terms could
be calculated for ALL REACTANT
i=1
ONLY.
3. Recall that i for product is zero.

(Heat Capacity, Cpi)
18

i=1
For example given a reaction of A + B C + D with A as the

basis of calculations, therefore:
i CPi = CPA + BCPB + I CPI

POSITIVE
SIGN
with
B =
FB 0
FA0
REMEMBER:
Only take the REACTANT
into consideration
including INERT if its in the
reaction.
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19
(Temperature Definition & Difference)

i=1
1. T = Reaction temperature in which the reaction is conducted

2. T0 = Entrance/Inlet Temperature of the reactant
3. TR = Reference Temperature in which the heat capacity at
constant pressure, Cp or the heat of reaction, HoRx
were obtained (usually 25oC) unless stated other value.
20
(Heat of Reaction at reference temperature HoRx (TR))

i=1
1. Heat of reaction at reference temperature (usually 25oC (unless

stated other value) are specific depending on the reaction.
2. It is either given directly or can be tabulated based on the
enthalpies of formation, Hof(TR) for all reactants and products
involved in the reaction.
3. The enthalpies of formation of many compounds, Hof(TR) are
usually tabulated at 25oC and can readily be found in any
handbook.
4. Ho Rx (TR) is to indicate that in the formula, the heat of reaction
Ho Rx is calculated at the reference temperature.
10
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21

i=1
For example given a reaction of A + bB cC + dD

and enthalpies of formation, Hof(TR) of reactants (A and B), and
products (C and D) are given, therefore:
#d
&
c
b
H Rxo (TR ) = % H OD(TR ) + H OC(TR ) H OB(TR ) H OA(TR ) (
$a
'
a
a
Positive for p roduct
Negative for reactant

REMEMBER: REACTANT AND PRODUCT SHOULD B E TAKEN INTO
CONSIDERATION
22

EXAMPLE
Calculate Ho Rx (TR) when given the reaction as following:
SOLUTION:
For the above reaction, the Ho Rx (TR) is as following:
H Rxo (TR ) = ( 2H ONH 3(TR ) 3H OH 2(TR ) H ON 2(TR ) )

From reference, it is found that the heat of formation of hydrogen,
(Ho H2,(TR)) and nitrogen (Ho N2,(TR)) are zero at 25oC, and Ho NH3 (TR)
= 11,020 cal/mol therefore
H Rxo (TR ) = 2(11, 020) 3(0) 0 = 22, 040cal / mol
11
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23
Overall Change In The Heat Capacity, Cp

i=1
1. The overall change in the heat capacity,

Cp is based on per mole of A reacted
during the reaction
2. It can be obtained based on the heat
capacities for all reactant and product, Cpi
3. These values can be found from any
handbook.
.
24

i=1
1. It can be calculated based on the following method

2. For example given a reaction of A + bB cC + dD
with heat capacities, Cpi of reactants (A and B), and products
(C and D) are given, therefore:
CP =
d
c
b
CPD + CPC CPB CPA
a
a
a
Positive for p roduct
Negative for reactant

REMEMBER: REACTANT AND PRODUCT SHOULD B E TAKEN INTO
CONSIDERATION
12
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25

Calculate Cp when given the reaction as following:
SOLUTION:

Heat Added to the Reactor
26

i=1
1. Q is HEAT added to the reactor when

heating up a reaction is required.
2. For CSTR, the Q value can be
calculated from a specified equation.
13
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27

Heat added to CSTR with heat exchanger, Q
TO, FAO
T, FA
Ta1, mc
Ta2
Heat
exchanger
CSTR
reactor
Heat transfer fluid e nters

the e xchanger a t a mass
flow rate mc (kg/s) at a
temperature Ta1 and
leaves a t a temperature
Ta2.
For exothermic reactions

(T>Ta2>Ta1)
For endothermic
reactions (Ta1>Ta2>T)
28
Heat added to CSTR with heat exchanger, Q

3. For moderate to low coolant rates:
.
.
UA
Q = mc C pc (Ta1 T ) 1 exp
mc C p
4. For large coolant rates, Ta1 (Heat transfer fluid inlet temperature) = Ta2 (Heat
transfer fluid o utlet temperature)
Q = UA(Ta1 T )
Usually we use this unless

indicated otherwise
U = Overall h eat transfer coefficient o f jacket

A = Heat e xchange a rea (steam jacket a rea)
Cp,c = Heat capacity o f the h eat transfer fluid
Ta1 = Heat transfer fluid inlet temperature (jacket steam saturation temperature)
T = Reaction temperature
14
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29
6.2 Algorithms for non-isothermal reaction d esign

(CSTR Algorithm for n on-adiabatic System)
1.Design equation for CSTR: VCSTR =
FA0 X
rA
2. Rate Law (Elementary): rA = kC A

3. Stochiometry for liquid phase: C A = C A0 (1 X )
( Ea " 1 1 %+
4. Change of temperare, k = k1 exp * $$ ''*) R # T1 T &-,
4. Combine all to give: VCSTR =
1st Unknown
FA0 X
( Ea " 1 1 %+
k1 exp * $$ ''-C A0 (1 X )
*) R # T1 T &-,
X is given, c alculate V a nd T
3rd
Unknown
2nd
Unknown
T is given, c alculate X a nd V
30

Scheme 1 : X is given, c alculate V a nd T
X is given, c alculate T first using e nergy balance e quation

i=1
Using the T above to

calculate the k
Calculate new k value

( E " 1 1 %+
k = k1 exp * $$ ''*) R # T1 T &-,
Calculate VCSTR
VCSTR =
FA0 X
kC AO (1 X )
15
11/10/15
31

T is given, Calculate X a nd V
Calculate X from Energy Balance Equation

i=1
Using the X above

to calculate the V
Calculate VCSTR
VCSTR =
FA0 X
kC AO (1 X )
32

Given the following reaction in a non adiabatic CSTR.
(V)
(A)
(Ta)
16
11/10/15
33

Given the following reaction in a non adiabatic CSTR.
(FA0)
(T0)
(CPA )
(CPB )
(CPC )
34

1. Reaction is non-adiabatic, CSTR reactor, irreversible liquid
phase, elementary reaction.
2. CSTR volume, V = 125 gal and conversion, X = 1.0 (proceeds
to completion) so find the reaction temperature, T.
3. From question,
U
Ta
FAO
o
H Rx(T
R)
17
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35

4. From the energy balance equation,

n

i=1
(CPA )
CP
(CPB )
(CPC )
c
b
C P = C PC C PB C PA = 2(47.5) 44.0 51.0 = 0
a
a
36

5. From the energy balance equation
Q W s FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

i=1
C Pi
(CPA )
C
i
Pi
= C P + BC P , B =
A
(CPB )
(CPC )
10lbmol / hr
=1
10lbmol / hr
Therefore i C P = C P +C P = 51.0 + 44.0 = 95.0 Btu / lb mol. o F

i
18
11/10/15
37

n
Q W s FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

i=1
Calculate the heat added into the reactor by the heat exchanger
Q = UA(Ta T )
= (150 Btu / hr. ft 2 . o F )(10 ft 2 )(365.9 T ) o F
= 1500(365.9 T )Btu / hr
38

Q W s FAO i C Pi (T Tio ) FAO X H oRx (TR ) + C P (T TR ) = 0

i =1
W s = 25hp
9.486 104 Btu / s 3600s
1hr
1.341103 hp
= 63664Btu / hr
19
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39

8. From the energy balance equation, substitute in all the values
into the equation to obtain T as
QW s FAO iC Pi (T To ) FAO X %'H o +C P (T TR )(* = 0

& Rx (TR )
)
i=1
Btu
Btu
,Ws = 63664
hr
hr
Btu
Btu
where i C P =95.0
,H o =20,000
,C P = 0
o
i
Rx(TR )
lb mol
lb mol. F
where Q = 1500(365.9 T )
lbmol
,T0 = 80 o F,TR = 365.9 o F, X = 1(into completion)
hr
Substitute all into equation
where FA0 = 10
1500(365.9 T ) 63664 (10 )(95.0 )(T 80) (10)(1)[20,000 + 0] = 0

T = 147.4 o F
40

(CSTR Algorithm for Adiabatic System)
FOR ADIABATIC SYSTEM; Q = 0,

The energy balance for CSTR with no heat
exchange
Q= 0
n
Ws FAO iC Pi (T To ) FAO X %'H o + C P (T TR )(* = 0

& Rx (TR )
)
i=1
20
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41

Given the following reaction in a n a diabatic CSTR.
FAO
FBO
42

Given the following reaction in an adiabatic CSTR.
You a re feeding 2 500 lb mol/h of A a nd e qual molar flowrate o f B to the
reactor. The feed stream consist o f 4 6.62 ft3/hr of A a nd 233.1 ft3/hr of B.
The temperature o f b oth feed stream is 5 8 oF prior to mixing but there is a n
immediate 1 7 oF temperature rise u pon mixing o f the 2 feed streams caused
by the h eat o f mixing. The e ntering temperature o f a ll feed streams is thus
taken to b e 7 5 oF.
For the conditions similar to those, it is found that that the reaction is first
order with respect to A and zero order with respect to B with the specific
reaction rate g iven a s
k = Ae-Ea/RT = 16.96x1012(e32,400Btu/lb mol/RT)/hr

Calculate the e xit temperature a t which the reaction is conducted a nd
subsequently the CSTR v olume when g iven the conversion a s 1 0%.
Assume the work d one b y stirrer is negligible.
21
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43

Following data are given as following:
44

1. In this q uestion, the e xit conversion is g iven, X therefore we n eed to find
the temperature, T a t which the reaction is conducted a nd subsequently the
volume o f the CSTR, V
2. Based o n the a lgorithm for a diabatic system,
X is given, c alculate T first using e nergy balance e quation
Calculate T from Energy Balance

n

i=1
Because adiabatic, Q = 0 and stirring work negligible, Ws = 0

Therefore equation becomes
n
FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

i=1
22
11/10/15

45
5. From the e nergy b alance e quation
Calculate T
n

i=1
We know H oRx (TR ) =
c o
b o
o
H C(TR ) H B(T
H A(T
R)
R)
a
a
Therefore
o
o
H 0Rx(TR) = H Co (T ) H B(T
H A(T
)
R
R)
= 226,000 (123,000) (66,600)

= 36,400 Btu / lb mol
Reference
Temperature, TR
46

Calculate T
n

i=1
4. Given FAO = 2 500 lb mol/hr of A to the reactor a nd e qual molar flowrate of B
To = 75oF
TR = 68oF
C
i
Pi
= C P + BC P , B =
A
2500
=1
2500
Therefore i C P = C P +C P = 35.0 +18.0 = 53.0 Btu / lb mol. o F

i
From Question:
You are feeding 2500
lb mol/h of A and
equal molar flowrate
of B
23
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47

Calculate T
n

i=1
c
b
We know C p = C pC CpB C pA
a
a
Therefore C p = C p C p C p = 46 18 35 = 7 Btu / lb mol. o F

C

7.
48
From the energy balance equation
Calculate T
n

i=1
8. Substitute in all t he v alues we c alculate previously t o determine t he reaction

temperature, T when given t he c onversion, X = 0.1
n
FAO iC Pi (T To ) FAO X %'H o + C P (T TR )(* = 0

& Rx (TR )
)
i=1
where H 0Rx(TR) = 36,400
Btu
Btu
Btu
, i C P =53.0
,C p = 7
i
lbmol
lbmol. o F
lbmol. o F
lbmol
,T0 = 75 o F,TR = 68 o F, X = 0.1
hr
Substitute in the equation, 2500(53.0)(T 75) (2500)(0.10)[36,400 + (7)(T 68)] = 0
where FAO = 2500
T = 144.9 o F
24
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49

9. From the logarithm, we have solved T value.
10. Therefore next is to find the new k value when
reaction temperature, T is 144.9 oF. Given from the
question that
k = Ae-Ea/RT = 16.96x1012(e-32,400Btu/lb mol/RT)/hr

12
32,400 Btu/lb mol

RT
12
(1.987Btu/lb mol. o R)(144.9+459.69 o R)
k = 16.96 10 e
32,400 Btu/lb mol
= 16.96 10 e
= 32.84 / hr
/ hr
50

SOLUTION
11.Next we obtain the volume of the CSTR, V.
12.To find the initial concentration of A, we know FA0 = 2500 lb
mol/hr and the initial volumetric flowrate, as given in question
as 46.62 ft3/hr of A and 233.1 ft3/hr of B. Therefore 0,TOTAL =
46.62 + 233.1 ft3/hr = 279.72 ft3/hr
VCSTR =
FA0 X
0 X
=
kC AO (1 X ) k(1 X )
ft 3
(0.1)
hr
=
= 0.95 ft 3
" 32.84
%
(1 0.1)'
$
# hr
&
279.72
25
11/10/15
6.3 Equilibrium Conversion
51
QUESTION: What Happen if its NON-ISOTHERMAL REVERSIBLE

reactions?
1. The highest conversion c an be achieved in reversible reactions is
the equilibrium conversion.
2. For endothermic (need heat) reactions, the equilibrium conversion
increases with increasing temperature up to a maximum of 1.0.
3. For exothermic (release heat) reactions, the equilibrium
conversion decreases with increasing temperature.
Example for
Exothermic
reaction
Equilibrium
Conversion
Reaction
Temperature
52
6.3 Equilibrium Conversions
(Reversible, Exothermic and Adiabatic Reactions)
1. To d etermine the maximum conversion, X that can b e a chieved in a n

EXOTHERMIC reaction carried o ut A DIABATICALLY (Q=0) in a
REVERSIBLE REACTION, we find the intersection o f the e quilibrium-
temperature p lot with temperature-conversion relationships from the e nergy
balance e quation.
Equilibrium Conversion, X e
Equilibrium P lot
Maximum
Conversion
i=1
Plot obtained
from Energy
balance
equation
To
Inlet
Temperature
T
Adiabatic
temperature
Reaction Temperature, T
26
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53
1. If inlet temperature is increased from T0 to T01, the e nergy b alance line will
be shifted to the right a nd p arallel to the o riginal line, a s shown b y the
dashed line.
Q W F C (T T ) F X %&H
+ C (T T )'( = 0
n
AO
Pi
AO
Rx (TR )
i=1
Plot obtained from

Energy balance
Equilibrium P lot
equation
To
Inlet
Temperature
T01
New Inlet
Temperature
54
How to improve conversion for exothermic reaction?

1. By connecting reactors in series with interstage cooling
Equilibrium
Conversion, X e
Conversion
increases with
interstage
cooling to Inlet
Temperature
X3
X2
X1
Equilibrium P lot
Plot obtained from

Energy balance
equation
Cooling down
Cooling down
Inlet Temperature To
27
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55
(Reversible, Endothermic and Adiabatic Reactions)
How to improve conversion for ENDOTHERMIC reaction?

1. By connecting reactors in series with interstage heating
Equilibrium P lot
Conversion
increases with
interstage
heating to Inlet
Temperature
X3
X2
Heating up
X1
Heating up
Plot obtained
from Energy
balance e quation
Reaction
Temperature, T
To
Inlet Temperature
6.4 Multiple Steady-state
56
1. Lets say in our reaction, we d ont h ave b oth d ata o f Conversion (X) a nd
Reaction Temperature (T) b ut we know the Volume o f Reactor (V)
2. If we consider a first order irreversible liquid p hase reaction with single
steady state in a CSTR we can o btain 2 separate p lots o f Conversion, X vs.
Reaction Temperature
3. First plot is obtain when we calculate Conversion, X MB vs. Temperature
based o n Mass B alance E quation.
VCSTR =
FA0 X MB
v0 X MB
=
kCA0 (1 X MB ) k(1 X MB )
Rearrange we get X MB =
VCSTR k
v0 +VCSTR k
Ea
When T changes, k = Ae RT also changes

When k changes, X MB also changes
28
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57
1. Second plot is obtain when we calculate Conversion, XEB vs.

Temperature based on Energy Balance Equation.
n

i=1
58
1. By combining this 2 p lot we can find the Reaction Conversion, X b y

determining its intersection.
Conversion, X
Conversion plot from Mass

Balance E quation, X MB
X
Conversion plot from
Energy Balance
Equation, X EB
To
Reaction
Temperature, T
29
11/10/15
59
1. If a reaction p arameter were changed slightly, the X EB line could move

slightly to the left a nd there might b e more than o ne intersection b etween
both p lots.
2. When more than o ne intersection o ccurs, there is more than o ne set o f
conditions that satisfy b oth the e nergy b alance a nd mole b alance
3. This is called a s multiple steady states a t which the reaction may o perate
Conversion, X
Conversion plot from Mass

Balance E quation, X MB
X1
X2a
Conversion plot from
Energy Balance
Equation, X EB
X2b
To1
To
Reaction
Temperature, T
30

Chapter 6

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Chapter 6

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11/10/15

6.1 T he energy balance

6.1 The Energy Balance

WHY WE NEED TO LEARN ENERGY BALANCE IN REACTION

1. At times we need to calculate the volume necessary

6.1 The Energy Balance

Lets say we have a CSTR and given a first order, exothermic

2. Rate Law (First Order Reaction)

6.1 The Energy Balance

In this equation, we have 3 unknowns (Volume, Temperature

6.1 The Energy Balance

6.1 The Energy Balance

General E nergy B alance o f A n Open S ystem

6.1 The Energy Balance

1. And for steady state operation (accumulation = 0), the energy

We derive further this p art

6.1 The Energy Balance

6.1 The Energy Balance

F H i Fi = H A0 FA0 + H B0 FB0 + H C 0 FC 0 + H D0 FD0 (H A FA + H B FB + H C FC + H D FD )

= H A0 FA0 H A FA + H B0 FB0 H B FB + H C 0 FC 0 H C FC + H D0 FD0 H D FD

6.1 The Energy Balance

QW + FAO i (H io H i ) H Rx(T ) FAO X = 0

6.1 The Energy Balance

QW + FAO i (H io H i ) H Rx(T ) FAO X = 0

5. We know the e nthalpy term is d efined a s following

6. Therefore the e nergy b alance n ow b ecomes

Q W FAO iCPi (T To ) H Rx(T ) FAO X = 0

6.1 The Energy Balance

QW FAO iC Pi (T To ) H Rx(T ) FAO X = 0

7. We know the h eat o f reaction, HRx term is d efined a s following

9. Therefore the e nergy b alance n ow b ecomes

QW FAO iC Pi (T To ) FAO X %&H Rx(T ) + C P (T TR )'( = 0

6.1 The Energy Balance

Q W FAO iCPi (T To ) FAO X %&H Rx(TR ) + CP (T TR )'( = 0

Q Ws FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

Equation are given in Exam!

6.1 The Energy Balance

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

1. Typical unit for heat capacity, Cpi of a reactant is represented

6.1 The Energy Balance

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

For example given a reaction of A + B C + D with A as the

i CPi = CPA + BCPB + I CPI

6.1 The Energy Balance

(Temperature Definition & Difference)

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

1. T = Reaction temperature in which the reaction is conducted

6.1 The Energy Balance

(Heat of Reaction at reference temperature HoRx (TR))

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

1. Heat of reaction at reference temperature (usually 25oC (unless

6.1 The Energy Balance

(Heat of Reaction at reference temperature HoRx (TR))

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

For example given a reaction of A + bB cC + dD

Negative for reactant

6.1 The Energy Balance

(Heat of Reaction at reference temperature HoRx (TR))

H Rxo (TR ) = ( 2H ONH 3(TR ) 3H OH 2(TR ) H ON 2(TR ) )

H Rxo (TR ) = 2(11, 020) 3(0) 0 = 22, 040cal / mol

6.1 The Energy Balance

Overall Change In The Heat Capacity, Cp

Q WS FAO iCPi (T To ) FAO X %&H Rxo (TR ) + CP (T TR )'( = 0

1. The overall change in the heat capacity,