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Non-Ideal Reactors Notes (&example)

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dineop001
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39 views

Non-Ideal Reactors Notes (&example)

Uploaded by

dineop001
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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Models for Nonideal Reactors

Jean Mulopo 2016


MODELS FOR NONIDEAL REACTORS:
INTRODUCTION
• NOT ALL TANK REACTORS ARE PERFECTLY MIXED NOR DO
ALL TUBULAR REACTORS EXHIBIT PLUG-FLOW BEHAVIOR. IN
THESE SITUATIONS, SOME MEANS MUST BE USED TO ALLOW
FOR DEVIATIONS FROM IDEAL BEHAVIOR.

• WE HAVE SEEN, IN THE PREVIOUS LECTURE, HOW THE RTD


WAS SUFFICIENT IF THE REACTION IS FIRST-ORDER OR IF THE
FLUID IS EITHER IN A STATE OF COMPLETE SEGREGATION OR
MAXIMUM MIXEDNESS.

• FOR NON-FIRST-ORDER REACTIONS IN A FLUID WITH GOOD


MICROMIXING, MORE THAN JUST THE RTD IS NEEDED.

Models for Nonideal Reactors 2


MODELS FOR NONIDEAL REACTORS:
INTRODUCTION
• WHEN ANALYSING IDEAL TUBULAR REACTORS, IT HAS BEEN
ASSUMED THAT THE FLUID MOVED THROUGH THE REACTOR
IN PISTON-LIKE FLOW (PFR). EVERY ATOM SPENDS AN
IDENTICAL LENGTH OF TIME IN THE REACTION
ENVIRONMENT. THE VELOCITY PROFILE IS FLAT AND THERE
IS NO AXIAL MIXING.

• BOTH THESE ASSUMPTIONS ARE FALSE TO SOME EXTENT IN


EVERY TUBULAR REACTOR. EXAMPLES INCLUDE THE
UNPACKED LAMINAR FLOW TUBULAR REACTOR, THE
UNPACKED TURBULENT FLOW, AND PACKED-BED REACTORS.

• TO COMPENSATE FOR FAILURE OF EITHER OR BOTH OF THE


IDEAL ASSUMPTIONS, TWO MODELS, THE TANKS-IN-SERIES
MODEL AND THE DISPERSION MODEL WILL BE EXAMINED.

Models for Nonideal Reactors 3


TANKS-IN-SERIES MODEL

• THE NONIDEAL TUBULAR REACTOR IS MODELED HERE AS A


SERIES OF IDENTICALLY SIZED CSTRs.

• THE RTD IS ANALYSED IN ORDER TO DETERMINE THE NUMBER


OF IDEAL TANKS IN SERIES n THAT GIVES APPROXIMATELY
THE SAME RTD AS THE NONIDEAL REACTOR. NEXT, THE
REACTION ENGINEERING ANALYSIS DEVELOPED PREVIOUSLY
IS EMPLOYED TO CALCULATE CONVERSION.

• LET US DEVELOP THE RTD FOR THREE TANKS IN SERIES AND


THEN GENERALIZE TO n REACTORS IN SERIES.

Models for Nonideal Reactors 4


TANKS-IN-SERIES MODEL
• THE RTD IS ANALYSED FROM A TRACER PULSE INJECTED INTO
THE FIRST REACTOR OF THREE EQUALLY SIZED CSTRs IN
SERIES:

• THE FRACTION OF MATERIAL LEAVING THE SYSTEM OF


THREE REACTORS THAT HAS BEEN IN THE SYSTEM BETWEEN
TIME t AND t + ∆t IS
vC3 (t )∆t C3 (t )
E (t )∆t = =∞ ∆t
N0
∫ C3 (t )dt
0
5
TANKS-IN-SERIES MODEL
• TO DETERMINE E(t), WE MUST OBTAIN FIRST C3(t).

• A MATERIAL BALANCE ON THE FIRST CSTR GIVES:

C1 = C0 exp(−vt / V1 ) = C0 exp(−t / τ 1 )
• A MATERIAL BALANCE ON THE SECOND CSTR GIVES:

C0t exp(−t / τ i )
C2 =
τi
• A MATERIAL BALANCE ON THE THIRD CSTR GIVES:

C0t 2 exp(−t / τ i )
C3 =
2τ i2

Models for Nonideal Reactors 6


TANKS-IN-SERIES MODEL
• THEREFORE, THE RTD FUNCTION FOR THREE CSTRs
CONNECTED IN SERIES IS:
C3 (t ) t 2 exp(−t / τ i )
E (t ) = ∞ =
2τ 3
∫ C3 (t )dt i
0

• GENERALIZING THIS METHOD TO A SERIES OF n CSTRs GIVES


THE RTD FUNCTION FOR n CSTRs IN SERIES:

t n −1 exp(−t / τ i )
E (t ) =
(n − 1)!τ in

Models for Nonideal Reactors 7


TANKS-IN-SERIES MODEL
• BECAUSE THE TOTAL REACTOR VOLUME IS nVi ,THEN τ i =τ / n
WHERE τ REPRESENTS THE TOTAL REACTOR VOLUME
DIVIDED BY THE FLOW RATE v :

n(nΘ) n −1 exp(− nΘ) Θ = t /τ


E (Θ) = WHERE
(n − 1)!

Models for Nonideal Reactors 8


TANKS-IN-SERIES MODEL
• WE SEE THAT AS THE NUMBER OF REACTORS BECOMES VERY
LARGE, THE BEHAVIOR OF THE SYSTEM APPROACHES THAT OF
A PLUG-FLOW REACTOR.
• WE CAN DETERMINE THE NUMBER OF TANKS IN SERIES BY
CALCULATING THE DIMENSIONLESS VARIANCE σ Θ2 FROM A
TRACER EXPERIMENT:
σ2 ∞ 1
σ = 2 = ∫ (Θ − 1) E (Θ)dΘ =
2
Θ
2

τ 0 n
1 τ2
• THE NUMBER OF TANKS IN SERIES IS THEN n= 2 = 2
σΘ σ
• IF THE REACTION IS FIRST-ORDER, THE CONVERSION IS
1 V
X =1− WHERE τi =
(1 + τ i k ) n
v0 n

Models for Nonideal Reactors 9


DISPERSION MODEL

• IN THIS MODEL, THERE IS AN AXIAL DISPERSION OF THE


MATERIAL, RESULTING FROM MOLECULAR DIFFUSION, i.e.,
− Da Ac (dC / dz ), SUPERIMPOSED ON THE BULK FLOW UAcC .
• DISPERSION CAUSES THE PERFECT TRACER PULSE TO
BROADEN AS IT MOVES DOWN THE REACTOR AND BECOMES
LESS CONCENTRATED.

Models for Nonideal Reactors 10


DISPERSION MODEL

• LET US DETERMINE AN EXPRESSION FOR THE CONVERSION X


FOR THE CASE WHERE WE HAVE BOTH DISPERSION AND
REACTION IN A TUBULAR REACTOR.
• TAKING A MOLE BALANCE ON A PARTICULAR COMPONENT OF
THE MIXTURE (SAY SPECIES A) OVER A SHORT LENGTH ∆ z
YIELDS: 1 dF
− A
+ rA = 0
Ac dz
• SUBSTITUTING THE MOLAR FLOW FA = UAc C A − Da Ac (dC A / dz )
IN THE MOLE BALANCE EQUATION GIVES,

Da d 2C A dC A rA
2
− + =0
U dz dz U

Models for Nonideal Reactors 11


DISPERSION MODEL

• WHEN THE REACTION RATE IS FIRST-ORDER, i.e., rA = − kC A ,


THE MASS BALANCE EQUATION IS LINEAR AND AMENABLE TO
ANALYTICAL SOLUTION (Danckwerts, Chem. Eng. Sci., 2, 1 (1953)):

4q ⋅ exp( Per / 2)
X =1−
(1 + q ) 2 exp( Per q / 2) − (1 − q ) 2 exp(− Per q / 2)
WHERE
σ2 2
q = 1 + 4 Da / Per ; Da = kτ ; 2 = 2 ( Per − 1 + exp(− Per ))
τ Per
• Da IS THE DAMKöLER NUMBER AND Pe IS THE REACTOR
PECLET NUMBER Per = UL / Da (L IS THE REACTOR LENGTH).

Models for Nonideal Reactors 12


Tutorial 3
• THE FIRST-ORDER REACTION A → B IS CARRIED OUT IN A 10-
cm-DIAMETER TUBULAR REACTOR 6.36 m IN LENGTH. THE
SPECIFIC REACTION RATE IS 0.25 min-1. THE RESULTS OF A
TRACER TEST CARRIED OUT ON THIS REACTOR ARE PROVIDED
IN THE FOLLOWING TABLE:
t(min) 0 1 2 3 4 5 6 7 8 9 10 12 14

C(mg/L) 0 1 5 8 10 8 6 4 3 2.2 1.5 0.6 0

CALCULATE CONVERSION USING (1) THE CLOSED VESSEL


DISPERSION MODEL; (2) PFR; (3) A SINGLE CSTR;

Models for Nonideal Reactors 13


RESULTS FOR THE DISPERSION MODEL

∞ V
τ = tm = ∫ t ⋅ C (t )dt = = 5.13 min;
0 v
∞
∫ t 2
⋅ C (t ) dt = 32 .24 min 2
;
0
∞ ∞
σ = ∫ (t − τ ) E (t )dt = ∫ t 2 E (t )dt − τ 2 =32.24 − (5.13) 2 = 5.92 min 2 ;
2 2

0 0

σ 2 5.92 2
= = 0.225 = 2 ( Per − 1 + exp(− Per )) ⇒ Per ≈ 7.7;
τ 2
5.13 2
Per

Models for Nonideal Reactors 15


RESULTS FOR THE DISPERSION MODEL

Da = τk = (5.13 min) ⋅ (0.25 min −1 ) = 1.28;

(1.28)
q = 1 + 4 Da / Per = 1 + 4 ⋅ = 1.29;
(7.7)
Per ⋅ q (7.7) ⋅ (1.29)
= = 4.97;
2 2
4 ⋅ (1.29) ⋅ exp(7.7 / 2)
X =1− = 0.68;
(1 + 1.29) exp(4.97) − (1 − 1.29) exp(−4.97)
2 2

WHEN DISPERSION EFFECTS ARE PRESENT IN THIS


TUBULAR REACTOR, 68% CONVERSION IS ACHIEVED.

Models for Nonideal Reactors 16

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