1. 化學工程概論
Introduction to Chemical Engineering
陳奇中
ctchen@fcu.edu.tw
製程設計、分析、模擬、最適化
與控制
Process
Design, Analysis, Simulation, Optimization
and Control

2. 製程設計 (Process Design)
chemical
process
1. 需經過哪些流程? Which process is suitable?
2. 需由幾個單元程序組成生產線?
What units should be involved in the
process?

3. 原料A
產品
原料B
反應器
蒸餾塔
蒸氣
(Luyben and Luyben, 1997)

4. 製程分析 (Process Analysis)
1.是否可實現? (Realization)
2.能源消耗? (Energy issues)
3.操作可行性? (Operational
feasibility)
4.設備維護? (Maintenance)

5. 製程模擬 (Process Simulation)
軟體: Aspen plus (整廠)(模組化)
(Software) Chem CAD (整廠)(模組化)
COMSOL Multiphysics (多重物理量)
…
MATLAB (單元)(程式寫作)
硬體: computer, monitor, printer, etc.
(Hardware)
program design – algorithm, etc.

6. CSTR 混和器動態模擬設計

7. Tank diameter T 0.28m
Depth of liquid H 0.2m
Baffle width B 0.03m
Impeller diameter D
0.112m
Impeller blade width w
0.025m
w H Impeller blade height h
0.025m
h Impeller clearance C 0.06m
C
D
Dimensionless parameters
D/T 0.4
B H/T 0.714
T B/T 0.107
Subdomain
攪拌葉設計 ρ=1000 kg/m3
η=0.01 Pa．s = 10 cp

10. 水平式MOCVD反應器之動態模擬
 AIXTRON, AIX200/4 水平式MOCVD反應器
上口端進料 III: trimethylgallium, TMGa (三甲基鎵)
GaAs
下口端進料 V: tertiary- butylarsine, TBAs (叔丁基砷)

11. Simulation of a MOCVD Reactor
動量平衡 (Momentum balance) 能量平衡 (Energy balance)
T
u T Cp k T C pTu Q
u u u u p 0 t
t
u 0
t
VIII,in
化學反應機構 (Chemical reaction)
VV,in 氣相反應 (Gas reaction)
TMGa+H2 MMGa+2CH4 (G1)
質量平衡 (Mass balance)
TBAs AsH+C4H8+H2 (G2)
ci
Di ci ci u Ri 表面反應 (Surface reaction)
t
MMGa+AsH GaAs(s)+CH4 (S1)

13. 製程最適化(Process Optimization)
 獲利最佳化 (maximal profits)
 能源消耗最小化 (minimal energy loss)
 原料成本最小化 (minimum costs)
操作條件之選擇
(selection of optimal operating conditions)
 單目標 (single objective)
 多目標 (multi-objective)

14. Where is the global minimum?

15. Benchmark test:
search for the global minimum
2 2 2 2
min F x1 x2 11 x1 x2 7 x1 3x2 57
s.t
5 xi 5, i 1, 2
Modified Himmelblau function,
1993
Global optimal solution
X(-3.79,-3.32)
F=43.3030

16. Convergence of the solution

17. Optimal design of an MOCVD
reactor
Before After
GR dA GR dA
GR 8.65 10 9 m / min GR 11.65 10 9 m / min
A A
GR GR GR GR
dA 0.003504 dA 0.00220
GR GR

18. Concept of multi-objective
optimization 多目標最佳化
90%
Comfort
40%
10 k Cost 100 k

19. Concept of Pareto-optimal
solutions : non-dominated (Goldberg, 1989)
Feasible objective space
B dominate A
A C dominate A
B, C non-dominated
B
D, E non-dominated
f2
Second level
C E dominate A, B, C
D
D dominate A, B
E
Pareto-optimal front
f1

20. Optimal Pareto-front
solutions of an MOCVD
90
80 B
70
60
Uniformity index
50
40
30
20 C
D A
10
0
-10
-45 -40 -35 -30 -25 -20 -15 -10 -5 0
Growth Rate (nm/min)

21. Uncertainties ?
不明確因素 Uncertainty
is
everywhere.
 Sources of uncertainties
- modeling errors
- physical parameter variations
- change of environments
- unknown dynamics
…
uncertainties
Deterministic design Not reliable

22. Deterministic solution
vs. Reliable solution
Stochastic constraint
Reliable solution
Deterministic optimum
*
Deb et al. (2009)

23. Solution cells with different
reliability indices (0, 0.5, 1, 1.5, 3)
Example 4.2
10
9
8
7
6
2
5
4
3
2
1
0
0 2 4 6 8 10
1

24. 程序控制 (Process Control)
 系統識別 (modeling)
 控制器設計 (controller design)
 控制系統分析 (穩定性, 控制品質)
(stability & performance)
 常用控制策略 (control strategies)
PID controller
Model predictive control
Intelligent controllers, etc.

25. CSTR反應器之PI控制
Simulink
dx1 x2
x1 Da (1 x1 ) exp
dt 1 x2
dx2 x2
(1 ) x2 BDa (1 x1 ) exp u
dt 1 x2
1 t
u (t ) Kc ( x2 s x2 ) ( x2 s x2 )dt
TI 0

26. 智慧型批次間控制(Run-to-Run)
Rotational
Wafer
Slurry Carrier
Feeding
System
Rotational
Table
Supporting
the Pad
and the
Wafer CMP Simulink

27. 半導體CMP製程
控制品質比較
傳統控制技術: 智慧型批次間控制技術 :
MIMO System with metrology delay of 0
3000
Non-Uniformity (Min. Std.dev.=60.0053)
Removal Rate (Min. Std.dev.=30.0012)
2500
Std.dev. = 60.0055(+0.0002) Mean = 2001.2
2000
1500
Responses
1000
500
Std.dev. = 30.0075(+0.0063) Mean = 99.9
100
0
-500
0 500 1000 1500 2000 2500 3000 3500 4000 4500 5000
Wafer Run#

28. 結語 (Summary)
製程設計、分析、模擬、最適化與
控制
Process
Design, Analysis, Simulation, Optimization
and Control
高效率、低耗能、零汙染的
綠色新製程 (Green Process)

30. Quiz (1/3)
1. What are the main parts of a green
process? (1) high efficiency (2) low
pollution (3) low material and energy
consumptions (4) all the above.
2. Why a process should be operated at
its optimum condition? (1) low cost
and energy loss (2) high productivity
(3) high profit (4) all the above.

31. Quiz (2/3)
3. Why a control system is necessary in a
chemical process? (1) stable operation
(2) disturbance rejection (3) low
product variations (4) all the above.
4. Why a simulation tool is necessary for
process design? (1) low cost (2)
reliability (3) be able to achieve a
better design (4) all the above.

32. Quiz (3/3)
5. What are the main issues of process
analysis? (1) realization and operational
feasibility (2) maintenance (3) energy
consumptions (4) all the above.