Week 10
Week 10
(Adapt from Materials of Asst. Prof. Dr. Apinan Soottitantawat with permission)
Main RTD Models
Compartment model: combine between RTD of
plug flow and mixed flow reactor.
Dispersion model: for plug flow deviated
reactors.
Tanks in series model: for mixed flow deviated
rectors.
Dispersion Model
3
Axial Dispersion
Pulse of trace
Variance 𝝈𝟐
Spread of the curve
𝑡̅
5
Dispersion (Plug Flow) Model
• No stagnant pockets
• No bypassing or short-circuiting
6
Dispersion Equation
Molecular diffusion: Momentum transfer (intermixing of fluid flow)
𝜕𝐶
=𝐃
𝜕 𝐶 D is the longitudinal or axial dispersion
𝜕𝑡 𝜕𝑥 coefficient
𝑚 (characterizes the degree of back mixing
𝐃[ ] during flow)
𝑠
Diffusion
Molecular diffusion (Fick’s law) : Mass transfer
𝑡 𝑡𝑢 𝐶
Dimensionless form z = (ut + x)/L 𝜃= = 𝐸 =
𝑡̅ 𝐿 𝐶
𝜕𝐸 𝐃𝜕 𝐸 𝜕𝐸
= −
𝜕𝜃 𝑢𝐿 𝜕𝑧 𝜕𝑧
𝐷
Dimensionless Vessel dispersion number
𝑢𝐿
8
Dispersion model
(D/uL) is the dimensionless group characterizing the spread in the whole vessel
Increasing asymmetry
Dispersion
D=0 Small D Large D D=∞
no spreading slow spreading rapid spreading Large dispersion
AKA. Plug flow AKA. Mixed flow
The reactor will be approaching ideal plug flow when the pipe is long, and velocity is high.
9
Dispersion model
For small extents of dispersion (small D/uL) the spreading tracer curve does not
significantly change in shape as it passes the measuring point.
𝜕𝐸 𝐃𝜕 𝐸 𝜕𝐸
= −
𝜕𝜃 𝑢𝐿 𝜕𝑧 𝜕𝑧
This represents a family of
𝐷 1 (
𝐃
) gaussian curves, also called
→0 𝐸 = 𝑒
𝑢𝐿 𝐃 error or Normal curves.
2 𝜋( ) 𝐃
𝑢𝐿
𝜎 =2
𝑢𝐿
𝑉 𝐿
Convert to E 𝑡̅ = = 𝜃= ̅
𝐸 = 𝑡𝐸
𝑣 𝑢 ̅
𝑢 𝐃 /
𝐃𝐿
𝐸= 𝑒 𝜎 =2
𝑢
4𝜋𝐃𝐿
The spreading tracer curve does not significantly
change in shape
Dispersion
Model for
Small Extents
of Dispersion
(D/uL < 0.01)
Symmetrical curves
11
Dispersion model
Small extents of dispersion (D/ul<0.01)
𝐴=1
0.05
0.04
0.03
E (-)
0.02
0.01
0.00
0 5 10 15 20 25 30 35
Time (min)
E-Curve
𝑡̅ = 15 min ̅
𝐸 = 𝑡𝐸 𝜃= ̅
E (-) 𝚫 𝜃 𝐸 ∆𝜃
0.0000 0 0 0.0000 σ ≅ 1.211 − 1
0.3333 0.45 0.3333 0.0167
0.6667 0.75 0.3333 0.1111 σ ≅ 0.211
1.0000 0.75 0.3333 0.2500
1.3333 0.6 0.3333 0.3556
1.6667 0.3 0.3333 0.2778
2.0000 0.15 0.3333 0.2000
2.3333 0 0.3333 0.0000
Σ𝜃 𝐸 ∆𝜃 = 1.211
E-Curve
σ ≅ 0.211
𝐸 = 0.75
0.61𝐸 = 0.458
𝜃 − 𝜃 = 1.14
E-Curve If D/uL <0.01
Method 1
𝐃
σ ≅ 0.211 = 2
𝐃
= 0.1055
𝑢𝐿
Method 2
𝐸 = = 0.75
𝐃
𝐃
= 0.14
𝑢𝐿
Method 3
𝐃
𝜃 −𝜃 =2 2 = 1.14
𝑢𝐿
𝐃
= 0.16
𝑢𝐿
D/uL > 0.01
(inappropriate)
Dispersion Model for Large Deviation
𝑉 𝑡̅
𝑡̅ =
𝑣
𝑡̅ ≠ 𝑡̅
Open Vessel Boundary Conditions
• The flow is undisturbed as it passes the entrance and exit
boundaries.
• Commonly used experimental device (i.e. as the section of long
pipe or large vessel)
• The feed into the catalyst bed will be forced to flow between
catalyst beads, which leads to dispersed flow instead of plug flow
𝜕𝐸 𝐃𝜕 𝐸 𝜕𝐸
= −
𝜕𝜃 𝑢𝐿 𝜕𝑧 𝜕𝑧
𝑡̅ ≠ 𝑡̅
𝐃
̅ +2
= 𝑡(1 )
𝑢𝐿
24
E-Curve
σ ≅ 0.211
If boundary conditions are O-O
𝐃 𝐃
σ , =2 +8
= 0.211
Solve for D/uL
𝐃
= 0.08
which is > 0.01
1 ( . )
𝐸 , = 𝑒
2 0.08𝜋
Closed-Closed vessel (ECC)
𝜕𝐸 𝐃𝜕 𝐸 𝜕𝐸
= −
𝜕𝜃 𝑢𝐿 𝜕𝑧 𝜕𝑧
- Do not have the
analytical expression of
E curve.
- Numerical expression
𝑡̅ = 𝑡̅ =
𝜃̅ = 1
𝐃
𝐃 /
σ =2 −2 [1 − 𝑒 ]
E-Curve
σ ≅ 0.211
𝐃 𝐃
σ =2 −2 1−𝑒
= 0.211
𝜕𝐸 𝜕 𝐸 𝜕𝐸
= 0.1199 −
𝜕𝜃 𝜕𝑧 𝜕𝑧
Solve Numerically
Close-Open/Open-Close vessel
(ECO, EOC)
𝜕𝐸 𝐃𝜕 𝐸 𝜕𝐸
= −
𝜕𝜃 𝑢𝐿 𝜕𝑧 𝜕𝑧
- Do not have the
analytical expression of
E curve.
- Numerical expression
𝑉
𝑡̅ = 𝑡̅ ≠ 𝑡̅
𝑣
𝐃
𝑡̅ ̅ +
= 𝑡(1 )
𝐃
𝜃̅ =1+
𝐃
σ =2 +3
E-Curve
σ ≅ 0.211
If boundary conditions are C-O, O-C
𝐃 𝐃
σ , =2 +3
= 0.211
𝜕𝐸 𝜕 𝐸 𝜕𝐸
= 0.0926 −
𝜕𝜃 𝜕𝑧 𝜕𝑧
Solve Numerically
RTD, When D/uL >0.01
• Be very careful in using the dispersion model where back mixing is large (D/uL >>0.1) ,
particularly if the system is not closed.
31
Dispersion Coefficient
Estimation
32
Dispersion Number Determination
𝜌𝑑 𝑢 𝜌𝑑 𝑢
𝑅𝑒 = Tubular Reactor 𝑅𝑒 = Fixed bed Reactor
𝜇 𝜇
Dispersion Number for Tubular reactor
Dispersion Number for Tubular reactor
Laminar flow in pipe
u = uo/ε
37
RTD Models
Mixed flow
Plug flow
Dispersion model
Area =1
1
Area =1 𝑡̅
E (s-1)
E(s-1)
Tank in series 1
Width=0 model 𝐸= 𝑒
𝑡̅
̅
time time
𝑡̅ 𝑡̅
Sharp, symmetric peak Asymmetric decay
Tank in Series Model
Can be used whenever the dispersion model is used
Simple, can be used with any kinetics
Can be extended to any arrangement of compartments, with or without recycle
𝜃𝑖 = ̅ = dimensionless time based on the mean residence time per tank 𝑡̅𝑖
𝑁𝜃𝑖 = 𝜃
39
Tanks in series model
...
The exact PFR model is the model for an infinite number of CSTRs
reactors in series.
40
For the 1st Tank
Injection at t = 0
𝑡̅ = 𝑡̅ = 𝑡̅ … = 𝑡̅
V1
𝑡 ̅ = 𝑁 𝑡 ̅ = Σ𝑡 ̅
Material Balance
𝑑𝐶1
At any time, t, after the pulse 𝑉1 = 0 − 𝑣𝐶1
𝑑𝑡
𝐶1
V1/v = 𝑡̅1 =𝑒 ̅ 𝑡̅1𝑬1 = 𝑒 ̅
𝐶0 1
𝐸= 𝑒 ̅ 41
𝑡̅
For 2nd Tank
𝑡̅ = 𝑡̅ = 𝑡̅ … = 𝑡̅
𝑡 ̅ = 𝑁 𝑡 ̅ = Σ𝑡 ̅
Material Balance
𝑑𝐶2
𝑉2 = 𝑣𝐶0𝑒 ̅ − 𝑣𝐶2
𝑑𝑡
𝐶 t
𝐶 = 𝑒 ̅
𝑡̅
1𝐶 𝑡
𝐸 = 𝑡̅2𝑬2 = 𝑒 ̅
𝑡̅ 𝐶 𝑡 ̅2
42
For nth Tank
Material Balance
𝑑𝐶
𝑉 = 𝑣𝐶 − 𝑣𝐶
𝑑𝑡
𝐶 t ̅ 1𝐶
𝐶 = 𝑒 𝐸 =
𝑁 − 1 ! 𝑡̅ 𝑡̅ 𝐶
𝑡 ̅
𝑡̅ 𝐸 = 𝐸 = 𝑒
𝑁 − 1 ! 𝑡̅
Tank-in-Series Model
𝑡 𝜃
̅ 𝐸 = 𝑒
𝑡̅ 𝐸 = 𝐸 = 𝑒 𝑁−1 !
𝑁 − 1 ! 𝑡̅
𝐶 t ̅
𝐸 = = 𝑒
𝐶 𝑁 − 1 ! 𝑡̅
𝑡 1 t
𝑡̅ 𝐸 = 𝑒 ̅ ̅ = 𝑡̅
𝑡𝐸 𝑒 ̅
𝑡̅ 𝑁−1 ! 𝑡̅
𝑁−1 !
𝑁
𝜎 = 𝑁 𝑡̅
𝑡 𝑁
̅ =
𝑡𝐸 𝑒 ̅
𝑡̅ 𝑁−1 !
𝑡̅
𝜎 =
𝑁
𝜃 𝑁(𝑁𝜃)
𝐸 = 𝑒 𝐸 = 𝑒
𝑁−1 ! 𝑁−1 !
1
𝜎 =𝑁 𝜎 =
𝑁
For nth Tank
𝑑𝐶
𝑉 = 𝑣𝐶 − 𝑣𝐶
𝑑𝑡
𝐶 t ̅
𝐶 = 𝑒
𝑁 − 1 ! 𝑡̅
All tanks
Individual tank
Individual tank
All tanks
46
Tank in Series
Each tank
N>50 RTD becomes just about
symmetrical and Gaussian
47
Tanks in series model
For N>50 (small deviation from plug flow), the RTD becomes symmetrical and gaussian
1
𝐸 = 𝑒
2𝜋𝜎
Gaussian
2𝐃
𝜎 =
𝑢𝐿
By comparison
1 2𝐃
=
𝑁 𝑢𝐿
𝑁 / ̅
𝐸 = 𝑒 /
𝑁(𝑁𝜃) Large N 2𝜋
𝐸 = 𝑒
𝑁−1 ! 1
𝜎 =
𝑁
RTD curve for the tanks-in-series model
Large N (>50)
𝜃=1
Tanks in series model
• Draw RTD curves for various N and see which matches the
experimental curve
• Calculate 𝜎 from experiment and compare with theory
• Evaluate the width of the curve at 61%of maximum height
• Match the maximum height
• Other ways
Before deciding to use this model be sure to check the shape of the experimental
curve to see if the model really applies. Do not use the model indiscriminately.
E-Curve
Method 1
σ ≅ 0.211 =
𝑁 = 4.73 ≅ 5
Method 2
𝜃 = = 0.85
𝑁 = 6.66 ≅ 7
Method 3
Δ𝜃 2
=
𝜃 𝑁−1
𝑁 = 3.22 ≅ 4
𝑁(𝑁)
𝐸 = 0.75 = 𝑒
𝑁−1 !
Method 4
𝑁≅5
E-Curve
1.0
𝑛=5
0.8
𝑛=4
0.6
E(-)
0.4
0.2
0.0
0.0 0.5 1.0 1.5 2.0 2.5
The Independence of Stages
M tanks N tanks
𝑡 ̅𝑀 , 𝜎
𝑡̅𝑀N = 𝑡̅𝑀+ 𝑡̅N 𝑡 ̅𝑁 , 𝜎
𝜎 =𝜎 +𝜎
One-shot Tracer Input
∆ ̅
∆𝜎 = 𝜎 - 𝜎 =
53
Closed Recirculation System
54
Closed Recirculation System
55
Recirculation with Throughflow
Rapid recirculation compared to throughflow
The system as a whole acts as one large stirred tank
C0 is the
concentration
of tracer if it
is evenly
distributed in
the system.
Superposition of the recirculation pattern and the exponential decay of an ideal stirred56tank
Tanks in series VS dispersion model
58
Problem I
Problem I
Solution 1.2
Solution 1.1/1.2
4.000 0.035
3.500 0.030
3.000
0.025
2.500
C (mg/cm3)
0.020
2.000
E
0.015
1.500
0.010
1.000
0.500 0.005
0.000 0.000
0 20 40 60 80 100 120 0 20 40 60 80 100 120
t=Time-t0 t=Time-t0
1.2000
1.0000
E 0.8000
0.6000
0.4000
0.2000
0.0000
0.000 1.000 2.000 3.000 4.000
Solution 1.3
(8 points) If we use the tanks-in-series model to model this reactor, determine the model parameter N.
x=0.21
𝑁(𝑁𝜃) x=1/N
𝐸 = 𝑒
𝑁−1 !
1
𝜎 = << results >>
𝑁
x = 0.21
N = 4.761905
Solution 1.4
If we use the axial-dispersion model to model this reactor, determine the model parameter for dispersion number
If D/uL <0.01
𝐃
σ ≅ 0.211 = 2
𝐃
= 0.1055
𝑢𝐿
0.211=2*x-2*(x^2)*(1-EXP(-1/x)) 𝐃
= 0.1199
x= 0.1199 𝑢𝐿
Problem II
Problem II
Solution 1.1/1.2
𝐶 𝐶 𝑣
𝐹= = 𝐶 = 0 ⇒ 𝑡̅ = 𝑡𝑑𝐹 = 𝑆ℎ𝑎𝑑𝑒 𝑎𝑟𝑒𝑎
𝐶 𝑚̇
V 5 m3 5000 L
time (min) cstep F(t) dF tdF dt E=dF/dt E
0 0.00 0.000 0 0 0 0 0 0
10 0.50 0.065 0.065 0.649351 10 0.006494 0.217207 0.298954
20 1.00 0.130 0.065 1.298701 10 0.006494 0.434415 0.298954
30 2.00 0.260 0.130 3.896104 10 0.012987 0.651622 0.597909
40 4.00 0.519 0.260 10.38961 10 0.025974 0.868829 1.195817
50 5.50 0.714 0.195 9.74026 10 0.019481 1.086037 0.896863
60 6.50 0.844 0.130 7.792208 10 0.012987 1.303244 0.597909
70 7.00 0.909 0.065 4.545455 10 0.006494 1.520451 0.298954
85 7.70 1.000 0.091 7.727273 15 0.006061 1.846262 0.279024
100 7.70
mean t 46.03896
volumetric
flow 108.6037 L/min
𝑡̅ = 𝑠 1.810061 L/s
𝑚̇ 𝑘𝑔
𝐶 = [ ]
𝑣 𝑚
Solution 1.1/1.2
E theta F curve
1.4 1.200
1.2 1.000
1
0.800
0.8
0.600
0.6
0.400
0.4
0.2 0.200
0 0.000
0 0.5 1 1.5 2 2.5 0 20 40 60 80 100 120
Solution 1.5
E del Theta //Model
0 0 0 0.00000
0.217207 0.298954 0.217207 0.00306
sigma=0.1769
0.434415 0.298954 0.217207 0.01225 sigma=1/N (tank in series)
0.651622 0.597909 0.217207 0.05514 sigma=2*Ndis (Dispersion with small D/uL)
0.868829 1.195817 0.217207 0.19607 sigma=2*x-2*(x^2)*(1-EXP(-1/x))
1.086037 0.896863 0.217207 0.22977 𝐃 (
𝐃
)
σ =2 −2 1−𝑒
1.303244 0.597909 0.217207 0.22058 << results >>
1.520451 0.298954 0.217207 0.15012 sigma = 0.1769
1.846262 0.279024 0.325811 0.30988
2.172073 0 0.325811 0.00000
N = 5.652911
σ ≅ Σ𝜃 𝐸 ∆𝜃 − 1 1.17687 NDis = 0.08845
Variance 0.17687 x = 0.09806672 (D/uL for close-close)
Both dispersion and tank series models can be used to fit the model of the RTD curve.
Tank in series model might be preferred due to its ease of use and application to determine the
conversion.
Considering the shape of the RTD curve, the dispersion model might be preferred to determine the
dispersion number and use in the calculation for the axial dispersion term. When the dispersion model is
applied; since the dispersion number is higher than 0.01 the boundary of the reactor must be specified
(close/close).
𝑡̅ ≅ 𝑡̅ =
Solution 1.5
E del Theta //Model
0 0 0 0.00000
0.217207 0.298954 0.217207 0.00306
sigma=0.1769
0.434415 0.298954 0.217207 0.01225 sigma=1/N (tank in series)
0.651622 0.597909 0.217207 0.05514 sigma=2*Ndis (Dispersion with small D/uL)
0.868829 1.195817 0.217207 0.19607 sigma=2*x-2*(x^2)*(1-EXP(-1/x))
1.086037 0.896863 0.217207 0.22977 𝐃 (
𝐃
)
σ =2 −2 1−𝑒
1.303244 0.597909 0.217207 0.22058 << results >>
1.520451 0.298954 0.217207 0.15012 sigma = 0.1769
1.846262 0.279024 0.325811 0.30988
2.172073 0 0.325811 0.00000
N = 5.652911
σ ≅ Σ𝜃 𝐸 ∆𝜃 − 1 1.17687 NDis = 0.08845
Variance 0.17687 x = 0.09806672 (D/uL for close-close)
Both dispersion and tank series models can be used to fit the model of the RTD curve.
Tank in series model might be preferred due to its ease of use and application to determine the
conversion.
Considering the shape of the RTD curve, the dispersion model might be preferred to determine the
dispersion number and use in the calculation for the axial dispersion term. When the dispersion model is
applied; since the dispersion number is higher than 0.01 the boundary of the reactor must be specified
(close/close).
𝑡̅ ≅ 𝑡̅ =
Solution 1.5
E del Theta //Model
0 0 0 0.00000
0.217207 0.298954 0.217207 0.00306
sigma=0.1769
0.434415 0.298954 0.217207 0.01225 sigma=1/N (tank in series)
0.651622 0.597909 0.217207 0.05514 sigma=2*Ndis (Dispersion with small D/uL)
0.868829 1.195817 0.217207 0.19607 sigma=2*x-2*(x^2)*(1-EXP(-1/x))
1.086037 0.896863 0.217207 0.22977 𝐃 (
𝐃
)
σ =2 −2 1−𝑒
1.303244 0.597909 0.217207 0.22058 << results >>
1.520451 0.298954 0.217207 0.15012 sigma = 0.1769
1.846262 0.279024 0.325811 0.30988
2.172073 0 0.325811 0.00000
N = 5.652911
σ ≅ Σ𝜃 𝐸 ∆𝜃 − 1 1.17687 NDis = 0.08845
Variance 0.17687 x = 0.09806672 (D/uL for close-close)
Both dispersion and tank series models can be used to fit the model of the RTD curve.
Tank in series model might be preferred due to its ease of use and application to determine the
conversion.
Considering the shape of the RTD curve, the dispersion model might be preferred to determine the
dispersion number and use in the calculation for the axial dispersion term. When the dispersion model is
applied; since the dispersion number is higher than 0.01 the boundary of the reactor must be specified
(close/close).
𝑡̅ ≅ 𝑡̅ =
Solution 1.5
E del Theta //Model
0 0 0 0.00000
0.217207 0.298954 0.217207 0.00306
sigma=0.1769
0.434415 0.298954 0.217207 0.01225 sigma=1/N (tank in series)
0.651622 0.597909 0.217207 0.05514 sigma=2*Ndis (Dispersion with small D/uL)
0.868829 1.195817 0.217207 0.19607 sigma=2*x-2*(x^2)*(1-EXP(-1/x))
1.086037 0.896863 0.217207 0.22977 𝐃 (
𝐃
)
σ =2 −2 1−𝑒
1.303244 0.597909 0.217207 0.22058 << results >>
1.520451 0.298954 0.217207 0.15012 sigma = 0.1769
1.846262 0.279024 0.325811 0.30988
2.172073 0 0.325811 0.00000
N = 5.652911
σ ≅ Σ𝜃 𝐸 ∆𝜃 − 1 1.17687 NDis = 0.08845
Variance 0.17687 x = 0.09806672 (D/uL for close-close)
Both dispersion and tank series models can be used to fit the model of the RTD curve.
Tank in series model might be preferred due to its ease of use and application to determine the
conversion.
Considering the shape of the RTD curve, the dispersion model might be preferred to determine the
dispersion number and use in the calculation for the axial dispersion term. When the dispersion model is
applied; since the dispersion number is higher than 0.01 the boundary of the reactor must be specified
(close/close).
𝑡̅ ≅ 𝑡̅ =