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• Objectives:
1
CONVERSION AND REACTOR SIZING
1. Conversion
Consider the general equation
A + bB → cC
aA C + dD
We will choose A as our basis of calculation.
b c d
A+ B → C + D
a a a
The basis of calculation is most always the limiting reactant. The
conversion of species A in a reaction is equal to the number of moles of A
reacted per mole of A fed.
Batch Flow
( N A0 − N A ) (FA0 − FA )
X= X=
N A0 FA0
X = Moles of A reacted
Moles of A fed
2
2. Design Equations
⎡ Moles of A⎤ ⎡ ⎤
⎢ reacted ⎥ = ⎡ Moles of A⎤ ⋅ ⎢ Moles of A reacted ⎥
⎢ (consumed ) ⎥ ⎢⎣ fed ⎥⎦
⎣ Moles of A fed ⎦
⎣ ⎦
= [N A 0 ] ⋅ [X ] [1]
Now the # of moles of A that remain in the reactor after a time t, NA can be
expressed in terms of NA0 and X;
[N A ] = [N A 0 ] − [N A 0 ⋅ X ]
[2]
N A = N A 0 ⋅ (1 − X )
dN A
= rA ⋅ V ( prefect mixing ) [3]
dt
dN A
− = − rA ⋅V
dt
For batch reactors, we are interested in determining how long to leave the
reactants in the reactor to achieve a certain conversion X.
3
For a constant volume batch reactor: (V = V0)
1 dN A d ( N A / V0 ) dC A From [3]
⋅ = =
V0 dt dt dt
dC A
= rA Constant volume batch
dt reactor
dX From [5]
dt = N A 0 ⋅
− rA ⋅ V
X
dX Batch time, t, required
t = N A0 ⋅ ∫ to achieve a
− rA ⋅ V
0
conversion X.
X
As t X
F A = F A 0 ⋅ (1 − X )
FA0 = C A0 ⋅ v0
4
For liquid systems, CA0 is usually given in terms of molarity (mol/dm3)
For gas systems, CA0 can be calculated using gas laws.
Partial pressure
PA 0 y ⋅P
C A0 = = A0 0
R ⋅ T0 R ⋅ T0
Entering molar flow rate is
b c d
For a rxn: A+ B→ C+ D
a a a
FA0 − FA
V =
− rA
Substitute for FA FA = FA 0 − FA 0 ⋅ X
FA 0 − ( FA 0 − FA 0 ⋅ X )
V =
− rA
FA 0 ⋅ X
V =
( − rA ) exit
5
PFR (Design Equation)
dFA
− = − rA
dV
FA = FA0 − FA0 ⋅ X
dFA = − FA0 ⋅ dX
Substitute back:
dFA dX
− = FA 0 ⋅ = − rA
dV dV
Given –rA as a function of conversion, -rA = f(X), one can size any type of
reactor. We do this by constructing a Levenspiel Plot. Here we plot either
FA0 / -rA or 1 / -rA as a function of X. For FA0 / -rA vs. X, the volume of a
CSTR and the volume of a PFR can be represented as the shaded areas
in the Levelspiel Plots shown below:
Levenspiel Plots
6
A particularly simple functional dependence is the first order dependence:
− rA = k ⋅ C A = k ⋅ C A0 ⋅ (1 − X )
Specific rxn rate
initial conc’n
((function of T))
1 1 ⎛ 1 ⎞
− = ⋅⎜ ⎟
rA k ⋅ C A0 ⎝ 1 − X ⎠
-1/rA
X -rA(mol/m3s)
0 0 45
0.45
0.1 0.37
0.2 0.30
0.4 0.195
0.6 0.113
0.7 0.079
08
0.8 0 05
0.05
[T = 500 K]
[P = 830 kPa = 8.2 atm]
initial charge was pure A
7
Example: Let’s consider the isothermal gas-phase isomerization:
A→B
X -rA(mol/m3s) 1 / -rA
0 0 45
0.45 2 22
2.22
0.1 0.37 2.70
0.2 0.30 3.33
0.4 0.195 5.13
0.6 0.113 8.85
0.7 0.079 12.7
08
0.8 0 05
0.05 20 0
20.0
[T = 500 K]
[P = 830 kPa = 8.2 atm]
initial charge was pure A
Draw -1/rA vs X:
We can use this figure to size flow reactors for
-1/rA different entering molar flow rates.
Keep in mind :
1. if a rxn is carried out isothermally,
y, the rate is
usually greatest at the start of the rxn, when
X the conc’n of reactant is greatest. (when x ≈
0 → -1/rA is small)
2. As x → 1, –rA → 0 thus 1/-rA → ∞ & V → ∞
→ An infinite reactor volume is needed to reach complete conversion.
8
if FA0 = 0.4 mol/s, we can calculate [FA/-rA](m3)
Plot FA0/-rA vs X obtain Levenspiel Plot!
Example: Calculate volume to achieve 80 % conversion in CSTR.
find − rA at X = 0.8
⎛ 1⎞ m3
⎜⎜ − ⎟⎟ = 20
⎝ rA ⎠ 0.8 mol ⋅ s
F ⋅X
V = A0
(−rA ) exit
mol m3
= 0.4 ⋅ 20 ⋅ 0.8 = 6.4m 3
For instance:
s mol ⋅ s
1.5 m3
9
Trapezoidal Rule
x1
1
f(x)
∫ f ( x) ⋅ dx = h [ f ( x ) + f ( x )]
x0
0 1
A1 = f ( x0 ) ⋅ h
f(x1)
[ f ( x1 ) − f ( x0 )] ⋅ h
A2 =
A2 2
f(x0) A = A1 + A2
A1
x ⎡ f ( x1 ) f ( x0 ) ⎤
x0 x1 = h ⋅ ⎢ f ( x0 ) + −
h ⎣ 2 2 ⎥⎦
h
= ⋅ [ f ( x0 ) + f ( x1 )]
2
Five Point Quadrature formula:
x 4 − x0
x4
h
∫ f ( x) ⋅ dx = 3 ⋅ ( f
x0
0 + 4 f1 + 2 f 2 + 4 f 3 + f 4 ) where h=
4
xN
3h For N+1 points, where
∫ f ( x) ⋅ dx =
x0
8
⋅ ( f 0 + 3 f1 + 3 f 2 + 2 f 3 + 3 f 4 + 3 f 5 + 2 f 6 .....) N is an integer.
X 0 0.4 0.8
-rA(mol/dm3s) 0.01 0.008 0.002
10
Hint :
FA0 = 2 mol/s, fed to a plug flow reactor
X
1
PFR ∴V = FA0 ∫ dX Thus one needs (1/-rA) as a function of X.
0
− rA
X
dX ∆X ⎡ 1 4 1 ⎤
PFR : V = FA0 ∫ = FA0 ⋅ ⎢ + + ⎥
0
− rA 3 ⎣ − rA ( X = 0) − rA ( X 1 ) − rA ( X 2 ) ⎦
mol ⎧ 0.4 dm 3 s ⎫
0.8
⋅ ⎨ [100 + 4 ⋅ (125) + 500]
dX
PFR : V = FA0 ∫ =2 ⎬ = 293dm
3
0
− rA s ⎩ 3 mol ⎭
To reach 80 % conversion
conversion, your PFR must be 293
293.3
3 dm3.
11
Sizing in PFR
Example: Determine the volume in PFR to achieve a 80 % conversion.
dX
For PFR : FA0 ⋅ = − rA
dV
0 .8 0.8
dX F
Re arranging : V = FA0 ⋅ ∫ = ∫ A0 ⋅ dX
0
− rA 0 − rA
Let’s numerically evaluate the integral with trapezoidal rule
0.8
FA0 FA 0
∫ −r
0 A
⋅ dX ⇒ f (X ) =
− rA X =0
= 0.89
FA 0
f (X ) = = 8 .0
− rA X = 0 .8
0 .8
V= ⋅ (0.89 + 8.0) = 8.89 ⋅ 0.4 = 3.556m 3
2
With five point quadrature V = 2.165 m3
VCSTR > VPFR for the same conversion and rxn conditions.
12
Reactors in Series: The exit of one reactor is fed to the next one.
Given –rA as a function of conversion, one can design any sequence of
reactors.
13
Solution:
By trial and error, we find that a conversion of 0.6 gives the appropriate
CSTR volume of 1200 dm3.
Similarly for the PFR, through trial and error, we find that a conversion
of 0.8 gives the appropriate PFR volume of 600 dm3.
14
CSTRs in Series
Two CSTRs in series Reactor 1:
Mole Balance: FA0 – FA1 + rA1 V1 = 0 [1]
FA0 FA1 = FA0 – FA0 X1 [2]
Combining [1] & [2]:
FA1
X1 = 0.4 V1 = FA0 (1 / -rA1) X1 [3]
-rA1
Reactor 2:
-rA2 FA2
X1 = 0.8
Mole Balance: FA1 – FA2 + rA2 V2 = 0 [4]
FA2 = FA0 – FA0 X2 [5]
Combining [4] & [5]:
⎛ FA0 ⎞ ⎛ F ⎞
X = 0.4 ⎜⎜ ⎟⎟ = 2.05m 3 V1 = ⎜⎜ A0 ⎟⎟ ⋅ X 1 = 0.82m 3
⎝ − rA1 ⎠ X =0.4 ⎝ − rA1 ⎠ 0.4
⎛ FA0 ⎞ ⎛ F ⎞
X = 0.8 ⎜⎜ ⎟ = 8 .0 m 3 V2 = ⎜⎜ A0 ⎟ ⋅ ( X 2 − X 1 ) = 3.2m 3
−
⎝ A 2 ⎠ X = 0 .8
r ⎝ − rA 2 ⎠
-FA0/rA
X
0.4 0.8
15
One can approximate a PFR by a large # of CSTRs in series:
-FA0/rA
1 2 3 4
X
n
V PFR = ∑ VCSTR ,i
i =1
PFRs in Series
FA0 FA1
X1 =0.4 VTOTAL = VPFR,1 + VPFR,2
-rA1
The overall conversion of
-rA2 FA2
X1 = 0.8 two PFRs in series is the
same as one PFR with the
X2 X X
same total volume
1 2
dX dX dX
∫ FA0 ⋅
0
= ∫ FA0 ⋅
− rA 0
+ ∫ FA0 ⋅
− rA X 1 − rA
16
⎛F ⎞
Use the plot of ⎜⎜ A0 ⎟⎟ vs. X
⎝ − rA ⎠
⎛F ⋅X ⎞
V1 = ⎜⎜ A 0 ⎟
⎝ − rA1 ⎠
at X = X1 = 0.4 the (FA0 / -rA1) = 300 dm3
V1 = (300 dm3) (0.4) = 120 dm3
The volume of the first CSTR is 120 dm3
dX − rA
=
dV FA0
⎛ FA0 ⎞ ⎛F ⎞
X2 0.7
V = ∫ ⎜⎜ ⎟⎟ ⋅ dX = ∫ ⎜⎜ A0 ⎟⎟ ⋅ dX
X1⎝
− rA ⎠ 0.4⎝
− rA ⎠
17
Choose three point quadrature formula with
X 2 − X 1 0.7 − 0.4
∆X = = = 0.15
2 2
⎛ FA0 ⎞
⎜⎜ = 370dm 3
−
⎝ A ⎠ X =0.55
r
V2 =
0.15
3
[ ]
300dm 3 + 4 ⋅ (370dm 3 ) + 600dm 3 = 119dm 3
FA 2 = FA0 ⋅ (1 − X 2 )
FA3 = FA0 ⋅ (1 − X 3 )
FA0
V3 = ⋅(X3 − X2)
− rA3
V3 = 600dm 3 ⋅ (0.7 − 0.4) = 180dm 3
The volume of last CSTR is 180 dm3
18
Summary:
CSTR X1 = 0.4 V1 = 120 dm3
PFR X2 = 0.7
07 V2 = 119 dm3
CSTR X3 = 0.8 V3 = 180 dm3
Reactor Sequencing
Is there any differences between having a CSTR – PFR system & PFR –
CSTR system? Which arrangement is best?
or
19
Space Time
V
τ =
v0
It would take 20 s for the fluid at the entrance to move to the exit.
Tubular: 0.5s
0 5s – 1h (50 to 5 x 106 tons/yr)
20
Space Velocity (SV) is defined as:
v0 1
SV = =
V τ
instead of using volumetric flow rate at the entrance, you use liquid –
hourly & gas – hourly space velocities (LHSV, GHSV).
v0 liq v0 STP
LHSV = GHSV =
V V
21
• HW (due date: Feb 25):
• Solve
S l ththe prpblem
bl iin your own way.
• http://www.engin.umich.edu/~cre/web_mod/hippo/index.htm
Example: Consider cell as a reactor. The nutrient corn steep liquor enters the cell of the
microorganism Penicillium chrysogenum and is decomposed to form such products as
amino acids, RNA and DNA. Write an unsteady mass balance on (a) the corn steep liquor,
(b) RNA, and (c) pencillin. Assume the cell is well mixed and that RNA remains inside the
cell.
In Out
Assumption:
Penicillin is produced in the stationary state.
→ no cell growth & nutrients are used in making the product.
22
Mass balance for penicillin: In − Out + Generation = Accumulati on
dN p
Fin + Fout + G p =
dt
Fin = 0 ( no penicilin in _ flow )
V V
dN p
G p = ∫ rp ⋅ dV ⇒ ∫ rp ⋅ dV − Fout =
dt
Assuming steady state for the rate of production of penicilin in the cells
stationary state, dN p
=0
dt
F − Fout F
V = in ⇒ V = out
− rp rp
FC 0 − FC F
V = = C0
− rC − rC
Summary
Batch Flow
( N A0 − N A ) (FA0 − FA )
X= X=
N A0 FA0
X = Moles of A reacted
Moles of A fed
23
Batch reactor design eq’n
dX
N A0 ⋅ = −rA ⋅ V (in differential form)
dt
FA0 ⋅ X
V= CSTR
(−rA ) exit
X
dX
V = FA0 ⋅ ∫ PFR
0
− rA
Reactors in series
V
Space time τ =
v0
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