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Scientific Journal of Control Engineering

December 2013, Volume 3, Issue 6, PP.397-404

Intelligent Modeling of Acetonitrile Refining


Process with Partially Unmeasurable States
Xiaofang Sun 1, 2, Qian Hu 1, Haitian Pan 1, 2
1. College of Chemical Engineering, Zhejiang University of Technology, Zhejiang Hangzhou 310014, China
2. Institute of Process Systems Engineering, Zhejiang University of Technology, Zhejiang Hangzhou 310014, China
Email:

zgdsxf@zjut.edu.cn

Abstract
A hybrid intelligent modeling approach based on partial least-squares (PLS) regression and neural networks (NN) was developed
to predict the partially unmeasurable states of continuous refining process of high purity acetonitrile. According to the difficulties
of varying operation condition, dynamic process with partially immeasurable states, unablilty to realize the integrated optimal
control based on mechanism model, and considering the problems of small sample, non-linear and multi-variable coupling, this
modeling approach extracted relatively few latent variables as inputs of intelligent model by using correlation analysis and
principle components extraction. Then a constructive approach and program was used to optimize training process and improve the
precision of modeling. The simulation indicated that PLS-NN model outperformed the normal neural networks on prediction and
generalization, which proved the validity of this approach.
Keywords: Intelligent Modeling; Acetonitrile; Pressure-swing Distillation; Partial Least Squares

*
1, 2 1 1, 2
1. 310014
2. 310014
PLS NN

PLS
PLS-NN
NN
PLS

70%
10%
99.9%
[1]

[2]
*

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[3] 1

-
-
2

99.9% 85% HPLC

2
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[4]
PCR[5]PLS[6-7]ANN[8]SVM[9]
PLS-NN

2.1
Partial Least SquaresPLS

p{x1,, xp}q{y1,, yq}


nX={x1,, xp}np Y={y1,, yq} nqX Y
X0 Y0
t1,, tr (r p) u1,, ur (r q)ti ui
ti = X0 wiui = Y0 ci cov(ti , ui) = max

wiciicovti uiti ui
wici
wiTwi =wi2=1ciTci =ci2=1

r
llrl
SVD

2.2
Artificial Neural Networks ANNs
ART -BP

RMSE
Cybenko

[10]
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2.3 PLS-NN
ANNsNN

PLS
PLS

NN PLS [11] PLS-NN

2.3.1

-SF
Split Fraction-P2-D2/F2-R2-P3
-D3/F3 -R3 X0
X1
72 7 2
2.3.2

31
73L18237L27313
L27313
23
1

P2

D2/F2

R2

P3

D3/F3

R3

SF

1
2

0.40
0.39

0.80
0.79

3.2
3.0

3.7
3.6

0.58
0.57

3.2
3.0

0.27
0.25

0.38

0.78

2.8

3.5

0.56

2.8

0.23

P2

D2/F2

R2

P3

D3/F3

R3

SF

X0

X1/10-2

0.40

0.80

3.2

3.7

0.58

3.2

0.23

0.0622

99.9620

0.40

0.80

3.0

3.6

0.57

3.0

0.27

0.0441

99.9309

3
4
5
6

0.40
0.39
0.39
0.39

0.80
0.79
0.79
0.79

2.8
3.2
3.0
2.8

3.5
3.7
3.6
3.5

0.56
0.57
0.56
0.58

2.8
2.8
3.2
3.0

0.25
0.27
0.25
0.23

0.0414
0.0795
0.0744
0.0973

99.5867
99.9676
99.9588
99.9600

0.38

0.78

3.2

3.7

0.56

3.0

0.23

0.1111

99.9727

0.38

0.78

3.0

3.6

0.58

2.8

0.27

0.1208

99.9720

0.38

0.78

2.8

3.5

0.57

3.2

0.25

0.1162

99.9657

10

0.39

0.78

3.0

3.5

0.58

3.0

0.27

0.1218

99.9731

11

0.39

0.78

2.8

3.7

0.57

2.8

0.25

0.1172

99.9647

12

0.39

0.78

3.0

3.6

0.56

3.2

0.23

0.1120

99.9693

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2.3.3

P2

D2/F2

R2

P3

D3/F3

R3

SF

X0

X1/10-2

0.40

0.80

3.2

3.7

0.58

3.2

0.27

0.0533

99.9560

0.40

0.80

3.0

3.6

0.57

3.0

0.25

0.0482

99.9375

0.40

0.80

2.8

3.5

0.56

2.8

0.23

0.0453

99.5817

0.40

0.79

3.2

3.6

0.57

2.8

0.23

0.0886

99.9689

0.40

0.79

3.0

3.5

0.56

3.2

0.27

0.0736

99.6904

0.40

0.79

2.8

3.7

0.58

3.0

0.25

0.0940

99.9594

0.40

0.78

3.2

3.5

0.56

3.0

0.25

0.1112

99.6770

0.40

0.78

3.0

3.7

0.58

2.8

0.23

0.1308

99.9730

0.40

0.78

2.8

3.6

0.57

3.2

0.27

0.1145

99.9658

10

0.39

0.80

3.2

3.6

0.56

3.2

0.23

0.0412

99.9405

11

0.39

0.80

3.0

3.5

0.58

3.0

0.27

0.0523

99.9422

12

0.39

0.80

2.8

3.7

0.57

2.8

0.25

0.0475

99.9162

13

0.39

0.79

3.2

3.5

0.58

2.8

0.25

0.0929

99.9713

14

0.39

0.79

3.0

3.7

0.57

3.2

0.23

0.0877

99.9649

15

0.39

0.79

2.8

3.6

0.56

3.0

0.27

0.0709

99.9447

16

0.39

0.78

3.2

3.7

0.57

3.0

0.27

0.1132

99.9754

17

0.39

0.78

3.0

3.6

0.56

2.8

0.25

0.1084

99.9672

18

0.39

0.78

2.8

3.5

0.58

3.2

0.23

0.1299

99.9690

19

0.38

0.80

3.2

3.5

0.57

3.2

0.25

0.0460

99.9471

20

0.38

0.80

3.0

3.7

0.56

3.0

0.23

0.0407

99.9229

21

0.38

0.80

2.8

3.6

0.58

2.8

0.27

0.0516

99.9218

22

0.38

0.79

3.2

3.7

0.56

2.8

0.27

0.0694

99.9627

23

0.38

0.79

3.0

3.6

0.58

3.2

0.25

0.0919

99.9668

24

0.38

0.79

2.8

3.5

0.57

3.0

0.23

0.0868

99.9547

25

0.38

0.78

3.2

3.6

0.58

3.0

0.23

0.1290

99.9767

26

0.38

0.78

3.0

3.5

0.57

2.8

0.27

0.1123

99.9698

27

0.38

0.78

2.8

3.7

0.56

3.2

0.25

0.1075

99.9629

Z-score-
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Z-scoremeanstandard deviation
zij(xijxi)/si

zij xij xi si
0 0 0
2.3.4

PLSl
l=2

[12]
-Mean Absolute Percentage Error MAPE

MAPE

1 N kexp k p

N i 1 kexp

N kexp kp
2l+1

4
34

3 NN

4 PLS-NN
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4 PLS-NN NN
NN

PLS-NN

MAPE (%)

MRE (%)

MAPE (%)

MRE (%)

X0

8.14

26.67

1.03

2.42

X1

0.06

0.16

0.02

0.10

4 NN PLS-NN
-X1 0.02%
0.1%

PLS NN
PLS-NN NN

Y13B060031

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[8]

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[11] L.J. Janik, D. Cozzolino, R. Dambergs, et al. The Prediction of Total Anthocyanin Concentration in Red-Grape Homogenates
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1976-

1988-

Email: 626786385@qq.com

Email: zgdsxf@zjut.edu.cn

Email: htpan@zjut.edu.cn

1957-

- 404 http://www.sj-ce.org