MIT Chemical and Biological Reaction Engineering Exam 1 Review

10.
37 Chemical and Biological Reaction Engineering, Spring 2007 Exam 1 Review In-Out+Production=Accumulation Accumulation=0 at steady state
FA0 FA + rAV = 0
FA0 = [ A]0 0 FA = [ A]
For a liquid phase with constant density: For A 2 B ,
0 = 0 =
For A B the reaction moles are the same, so
[ =]
0
(-) for a reactant and (+) for a product
moles (extent of reaction)

N rxns n =1
N i = N i 0 + i ,n n
Suppose A B + C
XA =
N A = N A0 (1 X A )
N A0 N A N A0
Thermodynamics
Suppose
k1 A + B 2C k
1
Ke = e
Kc =
G RT
G = G f , products G f ,reactants
[ B ][C ] [ A]
has units. You need to use standard states, such as 1M, to make it
dimensionless.
Enzyme Catalysis
without enzyme Energy with enzyme S
P Reaction Progress Figure 1. Energy diagram for a reaction with and without enzyme.
Cite as: William Green, Jr., and K. Dane Wittrup, course materials for 10.37 Chemical and Biological Reaction Engineering, Spring 2007. MIT OpenCourseWare (http://ocw.mit.edu), Massachusetts Institute of Technology. Downloaded on [DD Month YYYY].
E + S ES ES E + P
Pseudo steady state approximation:
=0 dt [ ES ] = f (other species)
d [ ES ]
Cell Growth
volume N = N0e t
Monod kinetics:
N=
# cells
KS + [S ]
max [ S ]
YA =
B
A B
Rate Constants
k (T ) = Ae Ea
RT
Given k1 and k2, you can calculate k and a different temperature.
CSTRs
V= FA0 X A rA
Incorporates changing volumetric flow rate
If the reaction is 1st order and it consists of liquids with constant density:
XA k (1 X A ) V volume = =
k 1+ k Da = k =Damkhler number: ratio of kinetic effect to volumetric effect or

XA =
2nd order reaction: ratio of reaction rate to dilution rate
Exam1 Review Page 2 of 10
volumetric flow rate
10.37 Chemical and Biological Reaction Engineering, Spring 2007
kC A0 (1 X A )
XA
Da = kC A0
XA =
1 + 2 Da 1 + 4 Da 2 Da
For constant density and 1st order reaction:
Let:
dN A dt dC A C A0 C A + rA = dt FA0 FA + rAV = t t =
= CA C A C A0
Nondimesionalize:
Tanks in series: 1st order reaction
dC A =1 + (1 + Da)C A dt = 0 at t = 0 Solve given C A = 1 1 e (1+ Da )t C A 1 + Da
C A, n =
C A,0
(1 + Da )
Reactor Design Equations

CSTR:
FA0 X A rA dN A Batch: rAV = dt N A = V [ A] If V changes, then V must remain in the differential V=

PFR:
dX A rA = Adz FA0
PBR: Pressure drop consideration If
A( g ) 2 B( g )
Use
0 0 =
(conservation of mass)
Introduce ideal gas law
FT = FT 0 (1 + X )
Pm FT RT
m = P = P = FT RT nRT
Reactor volume: positive order reactions
VCSTR
FAo rA
VPFR (area under curve)
XA
Figure 2. Levenspiel plot for a CSTR and a PFR for positive order reactions.
Selectivity
CSTR
inst
overall C A
C Af
C A0
CA
Figure 3. Fractional yield versus concentration. Overall yield times concentration difference shown for a CSTR.
CSTR
k1 k2 A P C k3 A U ( k1 [ A] + k3 [ A])V = FA0 [ A]
Non-ideal reactors
Residence time distribution E(t)
10.37 Chemical and Biological Reaction Engineering, Spring 2007 Exam1 Review Page 4 of 10
reactor (t ) C (t )
E(t) must have a pulse trace
E (t ) =
C (t )
C (t )dt
0
E (t ) = 1
0
tm = tE (t )dt
0
Mean residence time, tm, for an: Ideal CSTR: Ideal PFR:
2 = ( t tm ) E (t )dt
2 0
Variance, 2, for an: Ideal CSTR: 2 Ideal PFR: 0
V E (t ) = t
0
f (t ) (t t )dt = f (t )
0 0
property of a dirac delta function
For a CSTR, E (t ) =
et
Example 1
z L FA0 FA, FB, FC
Figure 4. Schematic of a PFR with inflow of A and outflow of A, B, and C.

r1 r2 A B C r1 = k1C A r2 = k2CB
YB =
moles of B produced moles of A in
FB ( L) FA0
Mole balance on B
1 dFB = rB = r1 r2 = k1C A k2CB Axs dz FB = CB 0 FA0 = C A0 0

= k1C A k2CB Axs dz 0 dC A = k1C A Axs dz dC A k1 Axs = dz CA 0 k A ln C A = 1 xs z +
0 dCB
Initial condition at z=0 gives:
ln C A0 = 0 +
k A C A = C A0 exp 1 xs z 0 k A kA dCB k2 Axs + CB = 1 xs C A0 exp 1 xs dz 0 0 0
0 0
Axs
z [ = ] time, call it
= V velocity
This is the time it takes for something to flow to the end of the reactor (of length z).
Axs dCB + k2CB = k1C A0 e k1 d k Integrating factor: e 2 d CB ek2 = k1C A0 e( k2 k1 ) d kC k k CB ek1 = 1 A0 e( 2 1 ) + k2 k1

Initial condition: z=0, CB=0
B
kC 0 = 1 A0 + k2 k1 kC CB ( ) = 1 A0 e k1 e k2 k2 k1 1 dFC = + r2 Axs dz 1 dFA = r1 Axs dz 1 dFB = r1 r2 Axs dz

1 dFA dFB dFC + + =0 Axs dz dz dz FA0 = FA + FB + FC
FC = FA0 FA + FB
F
find B
Figure 5. Graphs of flow rates of A, B, and C as a function of residence time.
dCB k1C A0 = k1e k1 * + k2 e k2 * = 0 d k2 k1
k1e k1 * = k2 e k2 * ln k1 k1 * = ln k2 k2 * k ln 1 = ( k1 k2 ) * k2 k ln 1 k2 * = k1 k2
dA( x) A( x) 0 dx LHopitals rule: lim = do lim x x* B ( x ) x x* dy 0 dB ( x) dx dx
Find * for k1=k2
k1 1 1 = = k1 k2 k1 k2 1 k2 k A L A z * = xs = xs lim * = lim
L=
* 0
Axs
= length of reactor
Example 2
If A 2 B (Assume negligible pressure drop)
r = kC A
z L FA0
Figure 6. Schematic of a PFR.
dFA = rA = kC A dV 0 = nRT ) , = V PV ( Ftotal = n RT 1 = Ftotal = Ftotal Ctotal P Ftotal = FA + FB FA = C A = y A Ftotal dFA FA P = ky ACtotal = k dV FA + FB RT dFB FA P = +2ky ACtotal = +2k dV FA + FB RT
If P or T changes, you need other equations.
Derivation of E(t) for a CSTR

N 0 (t )
Figure 7. Schematic of a CSTR.
No reaction:
Integrating factor: exp
t V d N exp t = exp t N 0 (t ) dt V V N exp t = N 0 exp 0 = N 0 + V V
dN = N 0 (t ) C dt N = N 0 (t ) V dN + N = N 0 (t ) dt V
Initial condition: t=0, N=N0 =0
N = N 0 exp t V 1 = V t C = C0 exp C E (t ) = Cdt

0
Cdt = C0e
0 0
dt = C0 e
t
= C ( 0 1) = C 0 0 0
Ce e = E (t ) = 0 C0
Long-chain approximation
k2 1 E + S P+ E ES k k
1
tRNA E
k3 k4 E Deactivate
Enzyme propagates a long time before it is destroyed. LCA: k3 tRNA = k 4 E
[ ]
(assume 1 order) If there are other steps, add them into the equation
st
k5 ES destruction k3 [tRNA] = k4 [ E ] + k5 [ ES ]
Suppose there is a production term

k6 C E
Add another term
k6 [C ] + k3 [tRNA] = k4 [ E ] + k5 [ ES ]
F dX = A0 , rA = kC A Adz rA
This is a single differential equation in terms of X. Use for PFR with gas flow.
0 0 =
CA =
C A0 (1 X ) T0 P
1+ X
P0T

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What are some common reaction rate equations discussed in the document?

What are some common reaction rate equations discussed in the document?

What are some common reactor types discussed and how do they differ?

What are some common reactor types discussed and how do they differ?

10.

For a liquid phase with constant density: For A 2 B ,

For A B the reaction moles are the same, so

moles (extent of reaction)

Given k1 and k2, you can calculate k and a different temperature.

k 1+ k Da = k =Damkhler number: ratio of kinetic effect to volumetric effect or

volumetric flow rate

10.37 Chemical and Biological Reaction Engineering, Spring 2007

For constant density and 1st order reaction:

Tanks in series: 1st order reaction

dC A =1 + (1 + Da)C A dt = 0 at t = 0 Solve given C A = 1 1 e (1+ Da )t C A 1 + Da

Reactor Design Equations

FA0 X A rA dN A Batch: rAV = dt N A = V [ A] If V changes, then V must remain in the differential V=

PBR: Pressure drop consideration If

10.37 Chemical and Biological Reaction Engineering, Spring 2007

Exam1 Review Page 3 of 10

Introduce ideal gas law

Reactor volume: positive order reactions

VPFR (area under curve)

E(t) must have a pulse trace

Variance, 2, for an: Ideal CSTR: 2 Ideal PFR: 0

property of a dirac delta function

Figure 4. Schematic of a PFR with inflow of A and outflow of A, B, and C.

moles of B produced moles of A in

1 dFB = rB = r1 r2 = k1C A k2CB Axs dz FB = CB 0 FA0 = C A0 0

= k1C A k2CB Axs dz 0 dC A = k1C A Axs dz dC A k1 Axs = dz CA 0 k A ln C A = 1 xs z +

Initial condition at z=0 gives:

k A C A = C A0 exp 1 xs z 0 k A kA dCB k2 Axs + CB = 1 xs C A0 exp 1 xs dz 0 0 0

Axs dCB + k2CB = k1C A0 e k1 d k Integrating factor: e 2 d CB ek2 = k1C A0 e( k2 k1 ) d kC k k CB ek1 = 1 A0 e( 2 1 ) + k2 k1

kC 0 = 1 A0 + k2 k1 kC CB ( ) = 1 A0 e k1 e k2 k2 k1 1 dFC = + r2 Axs dz 1 dFA = r1 Axs dz 1 dFB = r1 r2 Axs dz

1 dFA dFB dFC + + =0 Axs dz dz dz FA0 = FA + FB + FC

Figure 5. Graphs of flow rates of A, B, and C as a function of residence time.

dCB k1C A0 = k1e k1 * + k2 e k2 * = 0 d k2 k1

10.37 Chemical and Biological Reaction Engineering, Spring 2007

Exam1 Review Page 7 of 10

Derivation of E(t) for a CSTR

Figure 7. Schematic of a CSTR.

Integrating factor: exp

t V d N exp t = exp t N 0 (t ) dt V V N exp t = N 0 exp 0 = N 0 + V V

Initial condition: t=0, N=N0 =0

N = N 0 exp t V 1 = V t C = C0 exp C E (t ) = Cdt

Enzyme propagates a long time before it is destroyed. LCA: k3 tRNA = k 4 E

Suppose there is a production term

Add another term

10.37 Chemical and Biological Reaction Engineering, Spring 2007

Exam1 Review Page 10 of 10

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