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Chapter Four Non-Isothermal Reactors Design

This document discusses the design of non-isothermal reactors. It provides equations for the energy balance and material balance of batch and plug flow reactors under different operating conditions. For batch reactors, the energy balance equates the accumulation of heat to heat flow in, heat flow out, heat of reaction, and external heat exchange. For plug flow reactors, the energy balance relates the temperature gradient to heat transfer and heat of reaction. Examples are given to calculate the heat removal needed to maintain a batch reactor isothermally and to solve the material and energy balances for a plug flow reactor problem involving a specified reaction. Operating conditions such as isothermal, adiabatic, and with heat exchange are considered for
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0% found this document useful (0 votes)
262 views

Chapter Four Non-Isothermal Reactors Design

This document discusses the design of non-isothermal reactors. It provides equations for the energy balance and material balance of batch and plug flow reactors under different operating conditions. For batch reactors, the energy balance equates the accumulation of heat to heat flow in, heat flow out, heat of reaction, and external heat exchange. For plug flow reactors, the energy balance relates the temperature gradient to heat transfer and heat of reaction. Examples are given to calculate the heat removal needed to maintain a batch reactor isothermally and to solve the material and energy balances for a plug flow reactor problem involving a specified reaction. Operating conditions such as isothermal, adiabatic, and with heat exchange are considered for
Copyright
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Reactor design

Chapter Four

Chapter Four
Non- Isothermal Reactors Design
Many reactions are scientifically to:
1- Exothermic reaction
2- Endothermic reaction .

Effect of temperature on rate of reaction


1- Irreversible reactions
Arrhinus equation
k = A exp(-E/RT)
k E 1 1
ln 1  [  ]
k 2 R T2 T1

2- Reversible reactions:
From vant hoff equation
K1 H R 1 1
ln  [  ]
K2 R T2 T1

Energy Balance on Batch reactor


0 0
[accumulation of heat] = [heat flow in] - [heat flow out] + [heat generation by reaction]
+ [External heat exchange] + Ws

dE
Accumulation of heat = dt
E = mt cv (T-To)
dE dT
 mt .cv
dt dt
mt:Total mass of mixture kg.
cv : Heat capacity of mixture at constant volume (kJ/kg.K).
T : outlet temperature (K)
T0 :inlet temperature (K).

External heat exchange = Q External = U A (Ts - T)


U : Overall heat transfer coefficient (watt/m 2.K)
Ts : Temperature of heating or cooling coil or fluid (of jacket)
 if the reactor is operated adiabatically (Q External =0).

1
Reactor design
Chapter Four

heat generation by reaction = QGeneration


= -  HR .(-rA.V)
 HR :Heat of reaction (kJ/kmol A)
V : reactor volume (m3)
-rA : rate of reaction (kmol/m3.sec)

Ws : work shaft =0
By substitution of each value of heat in energy balance equation;

dT
m t . cv.   H R (-rA .V)  UA(Ts - T)
dt
(Energy balance equation of BR)

Material Balance equation of BR


x
dx
t  N A0  By differentiation
0
 rA .V
dx
dt  N A0
 rA .V
subs. In energy balance equation
dx
(  rA .V )  N A0 .
dt
dT dx
mt.cv.  N A0 ( H R )  UA(Ts  T )
dt dt

H R  H R0  cp(T  Tref )
0 0
* H R0   i H i product   i H i reac tan t
cp   i cpi product   i cpi reac tan t

If cp  0  H R  H R0

H R0 : Heat of reaction at reference temperature (Tref) =25 0C


Operation Conditions
1- Isothermal o peration
dT
(T=T0) dt
0

a) adiabatically (Qexternal=0)
There is no heat effect on reaction rate or reactor volume
There is no need to heat balance on reactor.

2
Reactor design
Chapter Four

b) with heat exchange:


Qexternal= - QGeneration
H R (-rA .V)  UA(Ts  T )
H R (-rA .V)
Ts  T0 
UA

2-Non-isothermal operation: (T≠T0)


a) adiabatically; (Qexternal=0)

dT dx
mt .cv   N A0 H R
dt dt
T x
mt .cv  dT   N A0 H R  dx
T0 0 Adiabatic Temperature as a function of x
mt .cv.(T  To )   N A0 H R x

T  To 
N A0 .H R
x
To calculate the time of reaction the above equation is
mt.cv subs. in material balance equation of BR
x
dx
t  N A0 
0
 rA .V

Example
For 1st. order reaction constant volume
 rA  kC A0 (1  x)  rA  ( Ae  E / RT )C A0 (1  x)
E
 rA  A exp[ ]C A0 (1  x )
N A 0 .H R
R (T0  x)
mt .cv
By subs. in design equation of BR to calculate the time of reaction:
x
N dx
t  A0
V  E
0 C A0 (1  x)[ A exp
N .H R
R (T0  A0 x)
mt .cv
x
C dx
t  A0
C A0  E
0 (1  x )[ A exp
N A0 .H R
R (T0  x)
mt .cv

3
Reactor design
Chapter Four

This equation can be solved by Simpson rule to calculate the time of reaction at a given
conversion.

b) with heat exchange:


E.B
dT  N A0 .H R dx UA
  (Ts  T ) ………. Eq1
dt mt .cv dt mt .cv

M.B
dx  rA .V

dt N A0
dx Ae  E / RT C A0 (1  x ).V
(n=1,  =0)

dt N A0
dx
dt
 Ae  E / RT (1  x) …………..Eq2
Eq1 and Eq2 is solved by Euler method.

Example 1
What should be the removing heat to maintain the 10 lit of batch reactor isothermal for the
reaction A B, (k= 0.05 min-1) at 300 K, HR30 0K= -20 kCal/mol A, CA0= 2 mol/lit
and 90% conversion ?.

Solution
From E.B
Qexternal= - QGeneration
Qexternal= H R (rA .V )
From M.B
-rA=kCA0(1-x) [n=1,  =0] sbs. In E.B equation

Qexternal= H (kC (1  x).V )


R A0 …….. eq.1
kCal mol
Qexternal=  20 mol * 0.05 min * 2 llit (1  0.9).10lit
1

4
Reactor design
Chapter Four

Qexternal= -2 kCal/min

We can draw the relationship between Qexternal with time of reaction from:
x
dx
t  C A0 
0
kC A0 (1  x ) Time (min)
5
1
t ln(1  x )  46 min
k
0
x  1  e kt 0 10 20 30 40 50
By subs. The last equation in eq.1 -5

external(kCal/min)
Qexternal  H R ( kC A 0 e  kt ).V
conversion &Q -10

-15

-20

-25
We can draw the relationship between Temperature (Ts)&of
heat removal coolant
conversion with coil
time with time of
reaction …. H.w

Energy Balance on Plug flow reactor

M.B on PFR
x
dx
V  FA 0  By differentiation
0
 rA
dx  rA
   rA .dV  FA0 .dx
dV FA 0
E.B on PFR
 Ft cpmix dT  UdA(Ts  T )  H R (  rA .dV )  0
Ft cpmix dT  UdA(Ts  T )  H R ( FA0 .dx)  0
divided by dV

5
Reactor design
Chapter Four

dT UdA H R FA0 dx
 (Ts  T )  .
dV Ft cpmix dV Ft cpmix dV
dA DdZ 4
 
dV (D / 4)dZ
2
D

dT 4U F H R dx
 (Ts  T )  A0 . E.B equation of PFR
dV DFt cp mix Ft cp mix dV

Ft : Total mole flow rate of out let mixture


D : Reactor diameter
cpmix : Average heat capacity of inlet and outlet mixture
cpmixin  cpmix out
cpmix 
2
cpmix in  yi cpi

Operation Conditions
dT
1- Isothermal operation : (T=T0) dV
0

a) adiabatically (Qexternal=0)
There is no heat effect on reaction rate or reactor volume
There is no need to heat balance on reactor.

b) with heat exchange:


Qexternal= - QGeneration
4U F .H R dx
(Ts  T )  A0 .
DFt cp mix Ft cp mix dV
4U dx
solved with M.B equation through (dx/dV)
(Ts  T )  FA0 H R .
D dV

2- Non-isothermal operation: (T0≠ T)


a) adiabatically: (Qexternal =0)
dT F H R dx
  A0 .
dV Ft .cp mix dV
F H R
T  T0  A0 x Adiabatic Temperature (outlet temperature)
Ft cpmix

6
Reactor design
Chapter Four

b) with heat exchange:


dT 4U F H R dx
 (Ts  T )  A0 .
dV DFt cp mix Ft cp mix dV

Example 2
106 kmol/hr of gas mixture at 900 k and 5 atm passed through tube of 10 cm long. The data
for reaction A + B D, are:
Feed composition is : 40% mol A, 40% mol B, 20 % mol inert
cpA =cpB = 6 cal/mol.K, cpD = 10 cal/mol.K, cpI = 5 cal/mol.k
k777K=4.87*108 lit/mol.hr, k834K = 18.1 *108 lit/mol.hr
 HR= 8900 cal/mol A.
Find the reaction volume for 4% conversion under adiabatic temperature, then compare it
with the isothermal volume.

Solution
E.B
For the adiabatic temperature:
FA0 H R
T  T0  x
Ft cpmix

component Reactor Feed Reactor Effluent θi

A =0.4*109 1

B 0.4*109 1

7
Reactor design
Chapter Four

D 0 0

Inert 0.2*109 0.5

 Ft  FA  FB  FI  FD

Ft  FA0 [(1  x)  (1  x)  0.5  x


Ft  FA0 ( 2.5  x)
at x=0 Ft=Ft0=2.5FA0
at x=0.04 Ft=2.46 FA0
cpmixin  cpmix out
cpmix 
2
cpmix in  yi cpi
cpmixin  ( y A in * cp A )  ( y B in * cp B )  ( y I in * cp I )
cpmixin  (0.4 * 6)  (0.4 * 6)  (0.2 * 5)
cpmixin  5.8Cal / mol.K
cpmix out  yi cpi
cpmixout  ( y A out * cp A )  ( y B out * cpB )  ( y I out * cpI )  ( y Dout * cpD )
FA F F F
cpmixout  ( * 6)  ( B * 6)  ( I * 5)  ( D * 10)
Ft Ft Ft Ft
FA0 (1  x) F (1  x) 0.5 FA0 FA0 x
cpmixout  ( * 6)  ( A0 * 6)  ( * 5)  ( * 10)
FA0 (2.5  x) FA0 (2.5  x) FA0 (2.5  x ) FA0 (2.5  x )
cpmixout  5.86Cal / mol.K
cpmix  5.83Cal / mol.K
By subs. Ft and cpmix in adiabatic temp. equation

FA0 * 8900
T  900  x
2.46 FA0 * 5.83

T  900  610.634 x …………. Eq1


M.B
 rA  kC A C B
1 x   b / ax
 rA  kC A0 ( )C A 0 ( B )
1  x 1  x
2 1 x 2 2 1 x 2
 rA  kC A0 ( )   rA  kC A0 ( )
1  x 1  0.4 x
8
Reactor design
Chapter Four

k1 E 1 1
ln  [  ]
k 2 R T2 T1
T1 = 777 K k1= 4.87*108
T2 = 834 K k2= 18.1*108
E/R=7974.88 A= 1.396 *1013 lit/mol.hr
7974.88
k  1.396 * 1013 exp( )
T
By subs in reaction rate equation:
7974.88 2 1 x 2
 rA  1.396 *1013 exp(  )C A0 ( ) …….. Eq2
T 1  0.4 x
By subs Eq1 . in Eq2.

7974.88 2 1 x 2
 rA  1.396 *1013 exp(
900  610.634 x
)C A0 (
1  0.4 x
) ……. Eq.3

x
dx
V  FA0 
0
 rA
0.04
dx
V  FA0 
0 1.396 *1013 exp(
7974.88 2 1 x 2
)C A 0 ( )
900  610.634 x 1  0.4 x
0.04
FA0 dx
2 
V  13
1.396 *10 * C A0 0 exp( 7974.88 1 x 2
)( )
900  610.634 x 1  0.4 x
To calculate the adiabatic volume of PFR , the last equation solved by Simpson’s rule

y A0 PT 0 0.4 * 5atm
C A0    0.027mol / lit
RT atm.m 3
0.082 * 900 K
mol.K
FA 0  y A0 * Ft 0  FA0  0.4 *10 9 mol / hr
0.04
dx

2
V  3.93 *10
7974.88 1 x 2
0 exp( )( )
900  610.634 x 1  0.4 x
x y
0 7051.374 Y0
0.005 7311.332 Y1
0.01 7581.707 Y2
0.015 7863.765 Y3
0.02 8164.46 Y4
0.025 8471.004 Y5
0.03 8794.251 Y6
0.035 9132.233 Y7
0.04 9485.6 Yn

9
Reactor design
Chapter Four
h
A [ y 0  y n  4 y odd  2 y even ]
3
A  327.892
V  3.93 * 10  2 A
V  12.888lit

To calculate the isothermal volume :


0.04
FA0 dx
V 
1.396 *1013 * C A0
2 
0 exp(
7974 . 88 1 x 2
)( )
900 1  0.4 x
0.04
0.4 *109 dx
V 
7974 . 88  1  x 2
1.396 *1013 * exp( ) * (0.027) 2 0 ( )
900 1  0.4 x
0.04
dx
V  277.154 
0 (
1  x 2
)
1  0.4 x
0.04 0.04
1  0.4 x 2 (1  0.4) 2 2(0.4)(1  0.4)
0 1  x
( )  0 (1  x) 2  1 x
 (0.4) 2

0.04
1  0.4 x 2 1 1

0
(
1 x
) dx  0.36 * [
1  0.04
 1]  0.48 * ln[
1  0.04
]  0.16

0.04
1  0.4 x 2

0
(
1 x
) dx  0.195

V  54.045lit

Energy Balance on Continuous Stirred Tank reactor:

Ft cpmix (T  T0 )  UA(T  Ts )  FA0 ( x  x0 )H R  0

10
Reactor design
Chapter Four

M.B
V x

FA 0  rA

Operation Conditions
1- Isothermal operation : (T=T0)
a) adiabatically (Qexternal=0)
There is no heat effect on reaction rate or reactor volume
There is no need to heat balance on reactor.

b) with heat exchange:


UA(T  Ts )   FA0 ( x  x0 ) H R

Ts  T0 
H R FA 0
x
[FA0.x=-rA.V]
UA

2-Non-isothermal operation: (T≠T0)


a) adiabatically; (Qexternal=0)

FA0 H R
T  T0  x
Ft cpmix
Adiabatic Temperature which solved with M.B to obtain adiabatic volume of reactor

c) with heat exchange:


H R FA0 UA
T  T0  x (T  Ts )
cpmixFt cpmixFt
Outlet temperature susbs. In M.B to calculate the reactor volume.

Example 3
The first order reaction A B is carried out in the gas phase with inlet temperature 500 K and
4 atm, the feed is pure A
Data:
Cpmix = 58 kJ/kmol.K
Heat of reaction = -15380 kJ/kmol A
11
Reactor design
Chapter Four

k = 1.3 *109 e-15000/T


Q0 = 0.2 m3/sec

1- For adiabatic CSTR with 3 m3, find the outlet temperature and conversion.
2- For adiabatic PFR, find the reactor volume for 50% conversion.

Solution
E.B
FA0 H R
T  T0  x
Ft cpmix

Ft  FA  FB
Ft  FA0 (1  x)  FA0 x
Ft  FA0
15380FA 0
T  500  x
58 FA0
T  500  265.17 x
M.B
y A0 .PT 0 1* 4
C A0    0.098kmol / m 3
RT0 0.082 * 500
FA0  Q0 C A0  0.2 * 0.098  0.0195kmol / sec
 rA  kC A0 (1  x )
 rA  1.3 * 10 9 exp(15000 / T )C A0 (1  x )
1- for CSTR
V x

FA 0  rA

3 x

0.0195 1.3 * 10 * 0.098(1  x) exp( 15000 / T )
9

x
19.6 * 10 9 
 15000
(1  x) exp[ ]
(500  265.17 x)
By trail & error
X=0.5
T=632.585 K.

2-For PFR:

12
Reactor design
Chapter Four
x
dx
V  FA0 
0
 rA
x
V * 0.098 *1.3 *109 dx

0.0195 0 (1  x ) exp
 15000
500  265.17 x
By Simpson’s rule:
x y
0 1.069*1013 Y0
0.1 2.621*1012 Y1
0.2 7.522*1011 Y2
0.3 2.485*1011 Y3
0.4 9.343*1010 Y4
0.5 3.973*1010 Yn
h
A [ y0  yn  4 yodd  2 yeven
3
A=7.469*1011

Sheet NO. 4
Q1/ It is desired to produce 0.045 mol/liter of C from the following exothermic reaction liquid
phase reaction 2A C + D in a mixed flow reactor with 45% conversion calculate:
1- the volume of reactor and temperature of coolant coil if it is operated isothermally.
2- the volume of reactor and outlet temperature if it is operated adiabatically.
Data:-
Feed temperature 77 0C

13
Reactor design
Chapter Four

UA= 1200 J/min.K


Specific reaction rate constant k at 0 0C= 0.02m3/kmol.min.
Activation energy (E)=4000 kJ/kmol
Heat of reaction = - 8000 kJ/kmol
Heat capacity of mixture= 20 kJ/kmol.K
Volumetric feed flow rate =30 liter/min.

Q2 /The first order gas phase reaction A B is to be carried out in an adiabatic CSTR. If 0.6
0
kmol/hr of pure A is fed to reactor at 60 C and 2 atm. Calculate the outlet temperature , and
reactor volume at 70% conversion.
k1 = 1.08*105 exp(-5050.5/T)
K= 2.5*108 exp[(10000/T)-25.25]
cpA = 84 j/mol .K
cpB = 252 j/mol .K
∆HR = -8.4*104 j/mol A

Q3/ At what time and conversion the energy can be removed from 0.02 m3 batch reactor operated
with first order liquid phase reaction A B in order to keep the temperature constant. The
following data :
T0= 300 K
k (300 K)= 0.05 min-1
∆HR = -20 kCal/mol A
CA0 = 2 mol/lit
Q = - 2 kCal/min

Q4/ It is desired to fed 0.002 m3/s of pure acetone (gas phase) into a tubular reactor (2.5 cm
diameter) at 1035 K. The external heating energy is supplied to maintain the operation isothermal
with 20% conversion.
C3H6O C2H2O + CH4
1- Calculate the volume of the isothermal reactor.
2- Determine the temperature profile of reactor surface down the tube.
CA0 = 18.8 mol/ m3
k(1035 K) = 3.85 s-1
∆HR = 78.758 j/mol acetone, U = 0.11 j/ m2.s.K

14
Reactor design
Chapter Four

Q5/ The elementary gas phase reaction (A B) is to be carried out in CSTR (V=3 m3)
followed by a PFR.A feed stream of pure A enters the CSTR at a volumetric flow rate of 3.79
m3/hr and 25 0C. It is desired to achieve 97% total conversion.
1- Calculate the temperature and conversion for the outlet stream from CSTR if it is operated
adiabatically.
2- Determine the length of PFR if it is operated isothermally (ID= 25 cm).
k= 9.078*1015 Exp (-14570/T) hr-1
∆HR = - 41633 kJ/kmol A
cpmix = 2.93 kJ/kg.k
Mwt=90 kg/kmol

Q6/ A liquid stream (70% mol A & 30% mol inert) enters a CSTR at 27 0C, at a rate of 50
liter/min in which the following reaction take place A B+C. Find the reactor volume for
90% conversion and the outlet temperature for the following cases:
1-Adiabatic operation.
2- with 34.2 kcal/min of heat added to reactor.
Data:
CpA= 4 cal/mol.K , CpB= 2.4 cal/mol.K , CpC= 5 cal/mol.K , Cpinert= 4.5 cal/mol.K
k = 2.6*1017 exp(-12581.8/T) hr-1
∆HR= -300 cal/mol A
CA0 = 2 mol/liter

Q7/ The exothermic gas phase reaction 2A C+D is carried out in a CSTR to achieve 45%
of A. Pure A is fed at pressure of 2.87 atm and a temperature of 77 0C. Calculate the volume and
operating temperature of reactor.
DATA
Coolant temp.= 57 0C
U.A=1200 J/min.K
Specific reaction rate constant (k) at 0 0C=0.02 m3/kmol.min
Activation Energy (E)= 4000 kJ/kmol
Heat of reaction = -80000 kJ/kmol A
Cp = 20 Kj/kmol.K
Volumetric flow rate = 30 liter/min

Q8/ Determine the operating temperature for 90% conversion required to produce 400 kg of Y
in 6000 min for the irreversible reaction Z Y, under :
1- Isothermal operation.
2- Adiabatic operation with feed temperature of 92 0C.
15
Reactor design
Chapter Four

Data
k =2.7* 1014 exp (-15000/T) (min-1) , where T in K
∆Hr = - 85 Cal/mol Z
Heat capacity of mixture (cv) = 0.48 Cal/g.K, Mwt Z= Mwt Y = 24 g/mol

Q9/ The first order gas phase reaction A B is to be carried out in an adiabatic CSTR. If 0.6
kmol/hr of A with 40% inert is fed to reactor at 60 0C and 2 atm. CB0=0. Calculate the outlet
temperature , and reactor volume at 70% conversion.
k1 = 1.08*105 exp(-5050.5/T) (hr-1)
K= 2.5*108 exp[(10000/T)-25.25]
cpA = 84 j/mol .K
cpB = 252 j/mol .K
∆HR = -8.4*104 j/mol A

16

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