Remarks
Conc. changes with time but is uniform within the reactor. Reaction rate varies with time. Conc. inside reactor is uniform. (rj) is constant. Exit conc = conc inside reactor.
Batch
dn j dt
= (r j )V
t=
n jO
(r )V
j
dn j
CSTR
V=
F jo F j (rj )
Fj
PFR
dF j dV
= rj
V=
F jO
dF j (rj )
Basis of calculation
Consider the general reaction
aA + bB cC + dD
We will choose A as our basis of calculation
b c d A+ B C+ D a a a
Definition of conversion
b c d A+ B C+ D a a a
How can we quantify how far the reaction proceeds to the right ??? How many moles of C are formed for every moles of A consumed ??? Convenient way is given!!! Conversion
batch reactor Moles of A reacted XA = Moles of A fed flow reactor XA = FA 0 FA FA 0 XA = N A0 N A N A0
cC + dD
For reversible reactions, the maximum value of conversion, X, is the equilibrium conversion, i.e. X=Xe.
rA =
k1C A k2 + KC A
Note that
rA = f (Concentration)
Well develop the reactor design equation in term of conversion for single reaction system
dnA dt = (rA )V
nA = nA0 (1 X A )
dnA0 (1 X A ) dt = (rA )V
nA0 dX A (rA )V
dt =
Or
nA 0
dX A = (rA )V dt
t = nA0
dX A (rA )V
The longer the reactants are left in the reactor, the greater will be the conversion.
n A0
dX = ( rA )V dt ? ?
The conversion is a function of the time the reactants spend in the reactor. We are interested in determining how long to leave the reactants in the reactor to achieve a certain conversion X.
-1/rA
dX Area = (rA ) t =0
V = t nA0
Known
C A0 = 2.0 Mol/l
and
unknown
X = 0.9
V =? t =?
0.9
t = C A0
I =
dX ( rA )
dX =? rA ) (
20.00 15.00
0.9
1/(-rA)
10.00 5.00
t = C A0 I
xi
Numerical Evaluation of Integrals Integration with unequal segments Suitable for experimental data, in-equally space data points
I = f ( x)dx
a b
I h1
f ( x0 ) + f ( x1 ) f ( xn 1 ) + f ( xn ) f ( x1 ) + f ( x2 ) + h2 + ... + hn 2 2 2
where, f(x)
hi = ( xi xi 1 ) or the width of segments
xi
For liquid system, CA0 is commonly given in terms of molarity, for molarity, example, CA0 = 2 mol/dm3 For gas system, CA0 can be calculated from the entering temperature and pressure using the ideal gas law or some other gas law. For an ideal gas law
CA0 = PA 0 y A 0 P0 = RT0 RT0 FA 0 = v 0 C A 0 = v 0 y A 0 P0 RT0
yA0 = entering mole fraction of A (-) P0 = entering total pressure (kPa) PA0 = yA0P0 = entering partial pressure of A (kPa) T0 = entering temperature (K) R = ideal gas constant (=8.314 kPadm3/molK)
FA 0 FA V= rA
FA = FA 0 (1 X)
FA0 FA
CA CA
CA
V=
FA 0 FA 0 (1 X ) rA
Because the reactor is perfectly mixed, the exit composition from the reactor is identical to the composition inside the reactor, and the rate of reaction is evaluated at the exit conditions.
V=
FA = FA 0 (1 X)
dFA = rA dV
dFA = FA 0 dX dFA = FA 0 dX
FA 0
dX = rA dV
differential form
V = FA 0
dX rA
integral form
BATCH
N AO
dX = ( rA )V dt
t = N AO
0
dX rAV
CSTR
V=
FAO ( X ) ( rA ) Exit
PFR
FAO
dX = ( rA ) dV
V = FAO
0
dX rA
Octave Levenspiel
(PhD 1952): Octave Levenspiel also obtained an MS from Oregon State and served as a faculty member for 25 years until he retired in 1991. He published over 100 papers and proceedings, two of which have been listed as "Citation Classics." He was awarded 1977 American Institute of Chemical Engineers W.K. Lewis Award, the 1979 R.H. Wilhelm Award, and the 2003 Founders Award and Gold Medal, the highest honor given by the society. In 2000 he was inducted into the National Academy of Engineering. He also received two honorary doctorates , one from France.
SOURCE: http://engr.oregonstate.edu/oregonstater/fame/1998/che/octavelevenspiel.html
[X ] = FA0 ( rA ) exit
1 X (rA )
VPFR =
x =0
FA0 dX rA
1 ( rA )
1 dX or Area = (rA )
X PFR
1 =0 (rA ) dX X
dX
For example:
The isomerization reaction AB was carried out adiabatically in the liquid phase and the data in below table were obtained.
X (-rA) kmol/l.hr
0.95 0.90 0.85 0.80 0.75 0.70 0.65 0.60 0.50 0.35 0.00
0.10 0.30 0.50 0.60 0.50 0.25 0.10 0.06 0.05 0.05 0.04
Calculate the volume of each of the reactors for an entering molar flow rate of species A of 50 kmol/hr. (a) Compare CSTR and PFR at 90% conversion (b) Compare CSTR and PFR volume at 65% conversion
For example:
CSTR: 90% conversion 90%
F X V = A0 ( rA ) exit
kmol l.hr V = 50 0.9 22.2 hr kmol
-1/rA
20.00 15.00 10.00 5.00 0.00 0.00 0.20 0.40 X 0.60 1/(-rA) 0.80 1.00 X
V = 1000 liter
dX ( rA ) 0
0.9
kmol dX V = 50 hr rA 0
0.95 0.90 0.85 0.80 0.75 0.70 0.65 0.60 0.50 0.35 0.00
25.00 22.22 20.00 16.67 10.00 4.35 6.25 10.00 16.67 25.00 33.33
For example:
CSTR: 65% conversion 65%
V = FA 0 X ( rA )exit
35.00 30.00
-1/rA
25.00 20.00 15.00 10.00 5.00 0.00 0.00 0.20 0.40 0.60 X 0.80 1/(-rA) 1.00 X
dX ( rA ) 0
0.65
kmol V = 50 hr
dX rA
0.95 0.90 0.85 0.80 0.75 0.70 0.65 0.60 0.50 0.35 0.00
25.00 22.22 20.00 16.67 10.00 4.35 6.25 10.00 16.67 25.00 33.33
For reactors in series, the conversion X is the total number of moles of A that have reacted up to that point per mole of A fed to the first reactor.
Total moles of A reacted up to point i Xi = Moles of A fed to the first reactor only be used when the feed stream only enters the first reactor in the series and there no side streams either fed or withdrawn.
Reactor 1:
FA 0 FA1 + rA1V1 = 0
FA1 = FA 0 (1 X1 )
F V1 = A 0 X1 r A1
Reactor 2:
FA1 FA 2 + rA 2 V2 = 0
FA 2 = FA 0 (1 X 2 )
F V2 = A 0 (X 2 X1 ) r A2
-1/rA1 -1/rA2
X1
X2 X
1 1 V = FA0 X 1 + FA0 ( X 2 X 1 ) r r A1 A2
0.95 0.90 0.85 0.80 0.75 0.70 0.65 0.60 0.50 0.35 0.00
0.10 0.30 0.50 0.60 0.50 0.25 0.10 0.06 0.05 0.05 0.04
Calculate the volume of each of the reactors for an entering molar flow rate of species A of 50 kmol/hr.
FA0 = 50kmol / hr
FA1 = FA0
FA 2 = FA0 X A 2 = 0.9
X A1 = 0.6
liter
-1/rA
VCSTR 1 = 50
0.20
1/(-rA)
0.40
0.60
0.80
1.00
VCSTR 2 = 50
0.95 0.90 0.85 0.80 0.75 0.70 0.65 0.60 0.50 0.35 0.00
25.00 22.22 20.00 16.67 10.00 4.35 6.25 10.00 16.67 25.00 33.33
It is immaterial whether you place two plug-flow reactors in series or have one continuous plug-flow reactor; the total reactor volume required to achieve the same conversion is identical.
dX rA
dX rA
X2
X1
VPFR t =
X1
X2 dX dX FA0 + FA0 rA X 1 rA
-1/rA
The overall conversion of two PFRs in series is the same -1/rA as one PFR with the same total volumn. CSTRs in series :A PFR can be modelled using a number of CSTR in series
useful in modelling catalyst decay in a packed-bed reactor modelling transit heat effects in PFRs.
VPFR = FA0
X1
dX rA
Vtotal
dX rA
F VCSTR = A0 ( X 2 X 1 ) r A2
Vtotal
(X 2 X1 ) dX = FA0 + FA0 rA ( rA ) 0 2
X2
Calculate the volume of each of the reactors for an entering molar flow rate of n-butane of 50 kmol/hr.
Time is of Essence
Space time
SV
0
V
LHSV - Liquid Hourly Space Velocity GHSV - Gas Hourly Space Velocity
Class Assignment 2
(1)
(2)