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Lecture 4 - Batch and Semi-Batch Reactors
Lecture 4 - Batch and Semi-Batch Reactors
1
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
1 Design Equations
2 Batch Reactor
2.1 Calculating the Reactor Volume
2.2 Maximizing Production
2.3 Maximizing Benefit (or Profit)
2.4 Minimizing the Cost
3 Semi-Batch Reactor
3.1 Reactor Type A
3.1.1 Solving in X
3.1.2 Instantaneous Reaction
3.2 Reactor Type B
3.2.1 Case of QV0≠QV; V≠ct ; cj0=ct, QV0=ct, QV=ct
3.2.2 Case of Qv0=Qv=ct ; V=ct ; cj0=ct.
3.3 Design problems
2
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
Batch Reactors
BATCH
• Batch reactors are perhaps the simplest reactors used in chemical processes.
• When using batch reactors, reactants are first placed inside the reactor and then allowed to react over
time. Batch reactors are closed systems that operate under unsteady state conditions.
• Operation
The reactants are placed into the reactor (tC: charging time) and then allowed to react (tR: reaction
time), and products form inside the reactor. The products and unreacted reactants are then
removed (tD: discharging time), the reactor is optionally cleaned (t0: cleaning time) and the
process is repeated. The total time of operation is
tT = tC + tR + tD + t0
• Batch reactors contain ports for injecting reactants and removing products, and can be outfitted with a
heat exchanger or a stirring system. While batch reactors are generally of constant volume, some are
designed to maintain a constant pressure by varying the reactor volume.
• (See ENCYCLOPEDIA OF CHEMICAL ENGINEERING EQUIPMENT- Michigan University for the rest of characteristics)
http://encyclopedia.che.engin.umich.edu/Pages/Reactors/Reactors.html 3
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
Semi-Batch Reactors
• Semi-batch reactors occupy a middle ground between batch and continuous reactors. They are open
systems like CSTRs and run on an unsteady-state basis like batch reactors. They usually consist of a
single stirred tank, similar to a batch reactor.
• The operation is similar to that of a batch reactor and it consist of a charging time, a reaction time, and
discharging an cleaning times, so also:
tT = tC + tR + tD + t0
(See ENCYCLOPEDIA OF CHEMICAL ENGINEERING EQUIPMENT- Michigan University for the rest of
characteristics)
4
Lecture 4. Isothermal Batch (BR) and Semibatch Reactors (SBR)
Applying the principles of stoichiometry and kinetics to the simulation and design of
isothermal Batch and Semi-Batch Reactors.
Obtaining the integrated mole balances that will relate reaction time and concentration
and/or conversion in Batch and Semi-Batch Reactors.
Learning how to calculate the time of reaction needed to obtain a certain extent of reaction in
Batch and Semi-Batch reactors.
Aplying economic and production criteria to optimize the operation of batch (and semi-batch)
reactors.
Calculating the reactor volume necessary to obtain a certain production.
5
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
1. Design Equation
Mole Balance in a System Volume
For well-mixed
systems
Gj = Rj·V
6
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
1. Design Equation
Algorithm: Solving the Batch and Semi-Batch Reactors
For well-mixed
systems
Gj = Rj·V
7
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
1. Design Equation
Algorithm: Solving the Batch and Semi-Batch Reactors
c A = c A0 ( 1 − X )
3. Stoichiometry: If 2A + B → Products A ≡ key component
X
c
B = c B0 − c A0
solving in X
2
dX X
3. Combining (for Batch Reactor, for example): c A0 = 2 kc A0 ( 1 − X )c A0 θ B −
dt 2
We would need at least one mole balance (it’s a single reaction system):
dN j
Fj − Fj 0 + = Gj Gj = Rj V
dt
no inlet or uniformity of dN j
outlet of properties in = R j ·V
materials the volume dt
• Special Case 1. Constant Density Batch Systems. This includes most liquid reactions and also those gas
reactions run at constant temperature and volume
( ) = V dc
dN j d V ⋅cj dc j Cj
dc j
=
j
= R j Eq. 4-1 tR = − Eq. 4-2
dt dt dt dt Cj0 − Rj
(constant V )
• Here cj and X are related as follows:
νj ν j dX
X
c j = c j0 − − ck 0 = νj r ck 0 dX
ck 0 X tR = Eq. 4-3
νk ν k dt 0 − νk r [ X ] 10
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
Mole Balance
dN j
variable V = Rj V Eq. 4-4
dt
νj
c j0 − c X
ν k k0
X
dX
c j [X ] = t R = ck 0
− ν k r [X ] 0
P0 T P T
(1 + ε k X ) substituting cj[X] in the 0
( 1 + εk X )
P T0 rate equation, r P T0
and integrating
Eq. 4-5
For an isothermal
reactor T/T0=1 11
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
Mole Balance
• Graphical representation of the performance equations for batch reactors (constant or variable
volume).
X
ck 0 dX
tR =
0 − νk r
Cj0
dc j
tR =
Eq. 4-5 Cj − Rj
Eq. 4-3
-( Eq. 4-2
in variable volume
systems, the mole balance
is integrated with respect 12
to X
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
Design Problems
13
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
Design Problems
Pl = QV ⋅ cl Eq. 4-9
Calculate VR: VR = QV ⋅ tT 14
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
c t
dc1 1 dc1
R
c10 c 1 = c10 e − k t R Eq. 4-10
= R1 = − kc1 − = k dt ln = k tR
dt c10 c1 0 c1
c10 − c1
Substituting by X: X = X = 1 − e − k t R Eq. 4-11
c10
tR/c10
1 X
− R1
X
dX tR
=
0 − R1 [X ] c10
Variation of
conversion with
reaction time, tR
tR 15
0 X 0
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
A1 → Products
1 1
t − = kt Eq. 4-12
dc1
c1
dc1 c1 c10
r = k c12 = − c 2 = −k
dt
dt c10 1 0 1 X
= kt Eq. 4-13
c10 1 − X
A1 + A2 → Products
−
dc1 dc
= − 2 = k c1 c2 −
d
(c10 (1 − X )) = c10 dX = k (c10 (1 − X )) (c20 − c10 X )
dt dt dt dt
X
dX 1 c − c10 X
k tR = k tR = ln 20 Eq. 4-14
0 (1 − X ) (c20 − c10 X ) c20 − c10 c20 (1 − X )
16
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
-ν1A1—ν2A2 → Products
Reactants in stoichiometric dc1
= ν 1k (ν 2 ν 1 ) 2 c1 1 2
β ( β +β )
proportions c2= (ν2/ν1)c1 Eq. 4-17
dt
dc1 β β
= ν 1 r = ν 1 k c1 1 c2 2
dt
Reactants in non β2
β ν
= ν1 k c1 1 c20 − 2 (c10 − c1 )
stoichiometric dc1 Eq. 4-18
proportions dt ν1
17
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
r = (k + k' ) c10 (X e − X )
In the Mole Balance:
= − (k + k' ) c10 (X e − X )
dc1 dX
= −c10
dt dt Eq. 4-20
dX 1 Xe 1 c − c1e
= ( k + k' )( X e − X ) tR = ln = ln 10
dt k + k' X e − X k + k' c1 − c1e 18
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
ν j AJ = 0 r =k Πc βj
j − k' Πc γj
j
j
dc j
dt
=ν j ⋅r − ck 0
ν j dX
ν k dt
= ν j k
Πc j
βj
j [X ] − k ' Π
j
c j j [X ]
γ
X
ck 0 dX
tR = Eq. 4-21
− νk 0 k Πc
j
βj
j [X ] − k' Π
j
c j [X ]
γj
dc1
A1 + A2 ↔ A3 + A4 − = kc1c2 − k' c3 c4 with the initial conditions: c10=c20 , c30=c40=0
dt
Solving in X:
dX 2 2 X
2
1. We have to substitute ALL composition variables in function of X: c10 = k c10 ( 1 − X ) − c10
2
dt Kc
1
2. Substitute α=
KC
X X
1 dX 1 dX
3. Separate variables and integrate t= =
kc10 0 ( 1 − X )2 − ( αX )2 kc10 0 [1 − X ( α + 1 )][1 + X ( α − 1 )]
a2 - b2 = (a-b) (a+b)
4. Decompose in partial fractions:
1 α +1 α −1 1
= +
[1 − X (α + 1)][1 + X (α − 1)] 1 − X ( α + 1 ) 1 + X ( α − 1 ) 2 α
20
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
5. And integrate:
X
1 α +1 α −1 1 1 + X ( α − 1 ) Eq. 4-22
t= + dX = ln
2 α kc10
0 [1 − X (α + 1 )] [1 + X (α − 1)] 2 αkc10 1 − X ( α + 1 )
6. This type of solution (conveniently modified) can be applied ONLY if the following conditions are met:
- a second order reversible kinetics
- reactants in stoichiometric proportions
- no products in the initial charge to the reactor
- a constant-density system
21
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
= kc10 (1 − X ) (θ2 + X )
dc1 In terms of X dX
Mole Balance to A1: = − k c1 c2
dt dt
X X
r at temperature T Xe (1 in irreversible reactions.)
b
until it begins to slow down
and then stops...
1 − θ2
2
and accelerates...
1 − θ2 X − ln θ2 t
2 k c10 (1 + θ2 )
22
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.1 Single-Reaction Systems. Constant density.
= kc10 (1 − X ) (θ2 + X )
dX
dt
θ X
− ln − + ln 2 +
1 1 X
Integrating: θ = k c10 t
1 + θ2 1
2
c10 (1 + θ2 )
c1 = c10 (1 − X ) =
X =
[
θ2 e k c10 [1 + θ2 ]t − 1] 1 + θ2 e k c10 [1+ θ2 ]t
1 + θ2 e k c10 [1 + θ2 ]t c10 (1 + θ2 )
c2 = c20 + c10 X =
Eq. 4-23 e − k c10 [1 + θ2 ]t
1+
θ2
1 − θ2
X =
The maximum rate for this reaction is obtained when: 2
Eq. 4-24
− ln θ2
t=
k c10 (1 + θ2 ) 23
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
Let’s write the mole balance for the three chemical species (as V=constant, we can use cj):
dc1
= R1 = − r1 − r2 = − k1c1 − k 2 c1 = −(k1 + k 2 )c1 Eq. 4-25
dt
dc2
= r1 = k1c1 Eq. 4-26
dt
dc3
= r2 = k 2 c1 Eq. 4-27
dt
c3 =
dc3 = k 2 c10 e − (k1 + k2 ) t dt =
k 2 c10
k1 + k 2
{
1 − e − ( k1 + k 2 ) t } Eq. 4-30
c30 =0 0
and the limit in concentration for a very long time is: k1 c10 k 2 c10
c2 ∞ = and c3 ∞ =
k1 + k 2 k1 + k 2
cj/ck0
1
c1/c10
c3/c10
In this case, k2 > k1
c2/c10
0 26
tR
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
dc1 integrate
− = k1c1 c1 = c10 ⋅ e −
Mole balance to A1: k1 t
dt
c1 is not constant
Mole balance to A2: dc2 dc2 − k1t
= k1c1 − k 2 c2 (depends on time)
= k1c10 e − k 2 c2
dt Let’s substitute c1 by dt
its value!!
dc 2 y = c2 , x = t, P = k 2 ,Q = k1·c10·e -k1 t
+ k 2 c 2 = k1c10 e − 1 dy
k t
+ P y = Q( x )
dt dx
− − −
k 2 dt k2 dt −
k 2 dt
Pdx Pdx Pdx
y =e ⋅ e Qdx + I e c2 = e ⋅ e k1 c10 e − k1t dt + I e
27
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
−
k 2 dt k2 dt −
k 2 dt
dt
c2 = e ⋅ e k1 c10 e − k1t
+ Ie
c2 = e − k 2 t ⋅
(e k2 t
k1 c10 e − k1t ) dt + I e − k2 t
c2 = k1 c10 e − k2 t ⋅
(e (
− k1 − k 2 )t
) dt + I e −k2 t
k1 c10 ( )
c2 = e − k 2 t ⋅ e − k1 − k 2 t + I e − k 2 t
− (k1 − k 2 ) 1444442444443
e − k1 t
To calculate the integral constant, I, we need an initial value.
t =0 e − k1 t = e − k 2 t = 1
k1 c10 k1 c10
c20 = +I I = c20 +
− (k1 − k 2 ) k1 − k 2
c2 = c20 28
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
k1 c10 k c −k2 t
c2 = e − 1 + c20 + 1 10 e
k t
− (k1 − k 2 ) k1 − k 2
1442443
I
− k2 t k1c10 − k1t − k2 t
c2 = c20 e + (e −e ) Eq. 4-31
k 2 − k1
t
k 2 k1c10 − k1t k 2 k1c10 − k2 t
c
Integrate:
3
−k2t
dc 3 = 2 20
k c e + e − e dt
c30 0 k 2 − k 1 k 2 − k 1
c 3 = c 30 + c20 ( 1 − e
− k2 t
)+
c10
k 2 − k1
[k ( 1 − e
2
− k1t
) − k1 ( 1 − e
− k2 t
) ] Eq. 4-32
29
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
≡c1 k2
c2 ,max k1 k 2 − k1
= Eq. 4-34
Eq. 4-33 c10 k2
30
Class Exercise
k3
A4
32
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. Constant density.
Stoichiometric coefficient of
species Aj in reaction i
Write as many mole balances as species participate in the different rate laws (can be less than the
total number of species and more than the total number of reactions).
[ ]
R
dc1
= ν i 1 ri c j
dt i =1
[ ]
dc2 R Integrate the multiple differential
= ν i 2 ri c j equation system by numerical methods:
dt i =1 Runge-Kutta 4th order
…..
33
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. ANY Complex Reaction System.
d) ANY Complex Reaction System (constant or variable density, parallel or complex reactions)
• Variable nj (Nj/Nk0) is recomended:
dN j R
= V ν ij ⋅ ri ( j = 1,2 ,..., S )
dt i =1
dn j V R
dt
=
Nk 0
ν
i =1
ij ⋅ ri [ n1 , n2 ,...nS ] ( j = 1,2 ,..., S ) Eq. 4-36
dn 1 V R
• This equation can be applied to the S
dt
=
N k 0 i =1
ν i 1 ⋅ r i [ n 1 , n 2 ,..., n S ]
components of the chemical system
to obtain a set of S differential equations dn 2 V R
with t as independent variable and the S dt
= ν
N k 0 i =1 i 2 i
⋅ r [ n 1 , n 2 ,..., n S ]
nj as dependent variables:
M
dn S V R
dt
= ν
N k 0 i = 1 iS i
⋅ r [ n 1 , n 2 ,..., n S ] 34
2. Batch Reactor (BR)
2.1 Calculating Reaction Volume VR and Reaction Time, tR.
2.1.2 Multiple-Reaction Systems. ANY Complex Reaction System.
t n1 n2 ... ... nS
0 1 θ2 ... ... θS
t1 - - -
t2 - - -
. . . .
• If the batch reactor has a variable volume, the reaction system volume should be expressed as:
nt 0 = θ j
nt P0 T
V = V0
j
where
nt 0 P T0 nt = n j
j
35
Class Exercise
Solution:
Key component: A1
dn1 V n
=− k1· N10 1 = − k1· n1
dt N10 123V
c1
dn2 V n1 n2
= k N − k 2 N10 = k1· n1 − k 2 · n2
dt N10 1 11023 V 123
V
c1 c2
dn3
= k 2 n2
dt
36
Class Exercise
Solution:
2
dn1 V n N
=− k1· N10 1 = − k1· 10 n12
dt N10 142V43 {V
c1 c if V 10
is constant
nt P0 T
= 10 (k1·n12 − k 2 ·n22 )
dn2 N where V = V0
dt V nt 0 P T0
dn3 N
= 10 k 2 n22
dt V
37
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.2 Maximizing Production
Variation of
Variation of production with
conversion with Pl batch time, tT
X
batch time, tT
ν l Nk 0
Xm Pl = ⋅X
− ν k tT
X
Pl ∝
tT
0 tTm tT 0 tT
• The conditions of maximum economic profit (or benefit), Bm, do not correspond to that of maximum
production.
w · (N )
S
€
• So, B = j j - N j 0 − CT Eq. 4-40
batch j =1
• where wj represents the price of every chemical species Aj in the reactor and CT, the total cost of a batch.
• Fixed costs, A[V]: reactor depreciation. Fraction of the reactor (or plant) price that has to be gained per
unit time to be able to buy a new one at the end of its use.
• Operational costs: costs due to charging, reaction, discharging and improductive time.
41
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit)
• Let’s consider that there are several reactions taking place simultaneously in the batch reactor, but
only one gives the desired product (most valuable).
ν ij
(c )
R
− c j 0 = ck 0 Xi
− ν ik
j
i =1
S R
ν ij R S ν ij
• So, W = V w c j k0
− ν ik
X i = ck 0 V
123 w j
Xi
− ν ik
j =1 i =1
Nk 0
i =1 j =1
1442443
∆ wi
where ∆wi is the net increase in worth undergone by the reactor content due to every reaction i taking
place in the BR.
S
νj
• In case of a single reaction: W = ck 0 V ∆ w X where ∆w =
j =1 −ν k
wj
42
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit)
• Fixed costs, A[V]: reactor depreciation. Fraction of the reactor (or plant) price that has to be gained per
unit time to be able to buy a new one at the end of its use.
• Operational costs:
• CC·tC: charging cost, due to the time used in preparing and charging the reactor.
• CR·tR: reacting cost, due to the time of reaction.
• CD·tD: discharging cost.
• C0·t0: cost due to the improductive time of the reactor, reactor downtime.
• Depreciation (in €/h) is included in each one of the operational costs.
€
The benefit equation is: B = W − CT = (ck 0 V ∆ w X ) − (C' + CR t R ) Eq. 4-42
batch
dW
= d (W − CT ) =
dB dCT
−
dtT dtT dtT dtT
dB dW dCT dW d (C' + CR t R ) dW
= − = − = − CR
dtT dtT dtT dt R dt R dt R
44
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit). 2.3.1 Variation of Benefit (B) with Batch Time (tT).
R
dW dX i
• Multiple Reactions:
dt R
= ck 0 V
123 i =1
∆wi
dt R
Nk 0
dW dX
• Single Reaction: = ck 0 V ∆ w
dt R 14243 dt R
cons tan t
dW
X W dt R
dW
Variation of dt R Increase of net worth
conversion with
with reaction time, tR
reaction time, tR
t'
0 tR 0 tT = t' + t R
45
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit). 2.3.1 Variation of Benefit (B) with Batch Time (tT).
Single Reaction: dX
dB
= ck 0 V ∆ w − CR
dtT dt R
B
-CR
maximum
Benefit
tR
C0·t0 tT = t' + t R
CC·tC
W
CD·tD
t0 tC tD
CR
46
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit). 2.3.2 Cuantitative determination of benefit (B)
We know:
• All the costs
• All the fixed times X
dX
• Reaction kinetics t R = ck 0 Eq. 4-3
− ν k ⋅ r [X ,T ]
0
X tR B tT=t’+ tR
0 0 -C’ t'
tRm
X1 tR1 B1 tT1
tT = t' + tR
… … … …
X<Xe tR B tT t0 tC tD
47
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.3 Maximizing Benefit (or Profit). 2.3.3 Calculating batch time for maximum benefit.
• Graphical method
Represent the curve B-tT. Read Bmax and total batch time tT1 values.
• Analytical Method
The maximum benefit and the time needed to reach it, tT1, can be calculated without graphing
B = f [tT].
Assume a single-reaction system. When the batch time is equal to tT1 (time for which the maximum
benefit is achieved), then dB / dtT = 0. From Eq.
dB dX
= Nk 0 ⋅ ∆w ⋅ − CR = 0
dtT dtT
dX − ν k ⋅ r [X ,T ] dX
and from the mole balance to the batch reactor: = =
dt R ck 0 dtT
− ν k r [X m ,T ]
CR = Nk 0 ∆w = −ν k r [X m ,T ] V ∆w Eq. 4-43
ck 0
a) V is known
We also know the kinetic parameters, - νk, ∆w and CR. Equation 4-43 can be solved directly to determine the
conversion for maximum benefit (Xm).
Integrating Eq. 4-3 to an upper limit of Xm , allows to calculate tR1 and tT1 = t '+ tR1
b) V is unknown
Choose a value for QV, volume of reactants processed per unit time.
Then, propose a volume value, V. As T is known, Xm can be calculated from Eq. 4-43,
tR by integrating the mole balance (Eq 4-3), the total time as tT=t`+tR and V=QV·tT
Fix V STOP
N V=V’? Y
B dB
• Net benefit per unit time B / tT will be maximized d tT ⋅ −B
t
T= dtT
when its first derivative with respect to time is zero. =0
dtT tT2
dB B
• Solving the equation: =
dtT m tT 2
therefore (B / tT) is maximum when the slope of the curve B = f [t] is equal to B/tT2 .
B
L
This is only true at point L of the curve
of benefit vs tT.
t0 tC tD
50
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
2. Batch Reactor (BR)
2.4 Minimizing Unit Cost.
d (Nk 0 X ) Solving
= slope
dt R
Nk 0 dX C ·N ⋅ X Nk 0 X Nk 0 X
= R k0 = = t ′′
dt R (C ′′ + CR ·t R ) C ′′ + CR ·t R t ′′ + t R
0 minimum t ′′ + t R
CR
cost 51
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
Why?
A + B →
kD
D R D = k D c Ac B k D cB
SD / U =
A + A → UkU
RU = kU c 2
A kU c A
slow addition of A
(If a reactant has a negative order effect on rate on the
desired product, add it in small quantities)
B
• To shift equilibrium, strip off product
• To control temperature, especially in exothermic reactions
• 3.1 Reactor type A: there’s only an input of reactants and no output. One of the reactants is initially
charged to the reactor.
3.1.1 General case
3.1.2 Instantaneous reaction slow addition of A
• 3.2 Reactor type B: There are feed and exit streams (with flowrates Qv0 and Qv, respectively):
3.2.1 Case of QV0≠QV; V≠ct ; cj0=ct, QV0=ct, QV=ct.
3.2.2 Case of Qv0=Qv=ct ; V=ct ; cj0=ct (CSTR start-up)
dN j
0 − Fj 0 + = Rj V
dt
FB0, cj0=cte
QV0 QV =0 → V = V0+QV0 t
It is advisable to work with the extensive variables Nj and
calculate rate in function of Nj and V
Mole balance to component A
Composition and
c’A0
volume
dN A dc A dV
changes with time =V + cA = RA V
A initially charged to the
dt dt dt
{
QV 0
reactor
B added in the feed dc A QV 0
Eq. 4-44 = RA − c A solve simultaneously
dt V0 + QV 0 t
by Runge-Kutta
4th order
Mole balance to component B
Q (c − cB )
Initial conditions
dNB dcB dV dcB
= FB 0 + RB V V + cB = FB 0 + RB V = RB + V 0 B 0 t =0
dt dt dt
{ dt V0 + QV 0 t c A = c ′A0 ; cB = cB′ 0
QV 0
Eq. 4-45 56
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.1 Reactor type A. Solving in X.
= R A [X ] V [t ]
dN A dX
FB0, = −N A′ 0 Eq. 4-46
dt dt
QV0
N A′ 0 (1 − X )
cA =
V0 + QV 0 t
ν substitute in Eq. 4-46
c’A0 Composition and FB 0 t − B N A′ 0 X
νA
volume cB =
changes with time V0 + QV 0 t
57
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.1 Reactor type A. 3.1.2 Instantaneous Reaction.
νAA + νBB → D
If A and B react so fast that the reaction can be considered instantaneous, the
reaction rate depends on B molar flow:
FB0,
QV0 −ν A
RA V ≡ ν A ⋅ r ⋅ V = FB 0
νB
c’A0 Indeed, applying the mole balance to component B, considering that it reacts
and disappears as soon as it enters the reactor (instantly reacts with A), yields:
dNB − FB0
Qv 0 cB0 + ν B r V = RB =
123 { dt V
FB0 RB
0
B disappears and cannot
accumulate
Eq. 4-48
Mole balance to component A:
νA
N A′ 0 − FB0 t
νA νB
dN A integrating N A = N A′ 0 − FB0 t cA =
=F
{A0 + ν A ⋅ r ⋅ V νB V0 + QV 0 t
dt 0 58
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.1 Reactor type B.
dN j
Fj − Fj 0 + = Rj V
dt
cj0=cte
QV ≠ QV0 → dV/dt = (QV0-QV) → V =V0 +(QV0-QV)t
Fj0, QV0 Fj, QV dNj/dt = V dcj/dt +cj dV/dt
FA0 FA
FB0 FB 3.2.1 Case of QV0≠QV; V≠ct ; cj0=ct, QV0=ct, QV=ct.
c’A0
initial concentration
dc j dV
inside: c ′j 0 V + cj = Fj 0 − Fj + R j V
dt dt
{
All reactants initially charged with a QV 0 −QV
concentration
that can differ from that of the feed
dc j
V + c j (QV 0 − QV ) = c j 0QV 0 − c j QV + R j V
There is an inlet and an oulet with the dt
same or different flowrates
dc j
=
(
QV 0 c j 0 − c j ) + Rj Eq. 4-49
V=V0+(QV0-QV)t dt V0 + (QV 0 − QV )t 59
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.2 Reactor type B. 3.2.1 Case of QV0≠QV; V≠ct ; cj0=ct, QV0=ct, QV=ct.
dc j
=
(
QV 0 c j 0 − c j ) + Rj Eq. 4-49
dt V0 + (QV 0 − QV )t
dc1 QV 0 (c10 − c1 )
= R1 +
dt V0 + (QV 0 − QV )t
dc2 QV 0 (c20 − c2 ) Integration by Runge-Kutta 4th
= R2 +
dt V0 + (QV 0 − QV )t order for the boundary
conditions
…
t=0; cj = c’j0 (j=1, 2,...S)
dcS QV 0 (cS 0 − cS )
= RS +
V0 + (QV 0 − QV )t
initial concentration
dt inside: c ′j 0
60
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.2 Reactor type B. 3.2.2 Case of QV =QV0=ct; V=ct
dc j
=
(
QV 0 c j 0 − c j ) + Rj Eq. 4-49
dt V0 + (QV 0 − QV )t
Fj 0
dc j
=
(
QV 0 c j 0 − c j )+R Eq. 4-50
Fj j
dt V0
dc1 Q (c − c1 )
= R1 + v 0 10
dt V0
dc2 Q (c − c2 ) Integration by Runge-Kutta 4th order
= R2 + V 0 20 for the boundary conditions
dt V0 t=0; cj = c’j0 (j=1, 2,...S)
…
dcS Q (c − cS )
= RS + V 0 S 0
dt V0
61
Lecture 4. Isothermal Batch (BR) and Semi-Batch Reactors (SBR)
3. Semi-Batch Reactor (SBR)
3.3 Design Problems: same as that of the Batch Reactor
62