Abstract
The orthogonal projection approach (OPA) and multivariate curve resolution (MCR) are presented as a way to monitor batch processes using spectroscopic data. Curve resolution allows one to look within a batch and predict on-line real concentration profiles of the different species appearing during reactions. Taking into account the variations of the process by using an augmented matrix of complete batches, the procedure explained here calculates some prediction coefficients that can afterwards be applied for a new batch.
Keywords
Get full access to this article
View all access options for this article.
References
1.
Jackson
J. E.
Muholkar
G. S.
, Technometrics 21 , 341 (1979 ).
2.
Kettering
J. R.
Jackson
J. E.
, J. Classification 10 (1 ), 131 (1993 ).
3.
Kresta
J.
MacGregor
J. F.
Marlin
T. E.
, Can. J. Chem. Eng. 69 , 35 (1991 ).
4.
Skagerberg
B.
MacGregor
J. F.
Kiparissides
C.
, Chemom. Intell. Lab. Syst. 14 , 341 (1992 ).
5.
Miller
P.
Swanson
R. E.
Heckler
C. E.
, 37th Annual Fall Conference ASQC, Rochester, New York (1993 ).
6.
MacGregor
J. F.
Jaeckle
C.
Kiparissides
C.
Koutoudi
M.
, AIChE J. 40 , 826 (1994 ).
7.
MacGregor
J. F.
Nomikos
P.
, “Monitoring Batch Processes”, in Batch Processing Systems Engineering: Current Status and Future Directions (Vol 143 of NATO ASI Series F), Computer and Systems Sciences ,
Reklaitis
Rippin
Hortacso
Sunol
Eds. (1992 ), pp. 241 –258 .
8.
Nomikos
P.
MacGregor
J. F.
, AIChE J. 40 , 1361 (1994 ).
9.
Smilde
A. K.
, J. Chemom. 15 , 19 (2001 ).
10.
Westerhuis
J. A.
Kourti
T.
MacGregor
J. F.
, J. Chemom. 13 , 397 (1999 ).
11.
Westerhuis
J. A.
Gurden
S. P.
Smilde
A. K.
, Anal. Chem. 72 , 5322 (2000 ).
12.
Qin
S. J.
Wen
J. L.
, Sens. Actuators, A 97 , 749 (2002 ).
13.
Sánchez
F. C.
Toft
J.
Van den Bogaert
B.
Massart
D. L.
, Anal. Chem. 68 , 79 (1996 ).
14.
Sánchez
F. C.
Vandeginste
B. G. M.
Hancewicz
T. M.
Massart
D. L.
, Anal. Chem. 69 , 1477 (1997 ).
15.
De Braekeleer
K.
Massart
D. L.
, Chemom. Intell. Lab. Syst. 39 , 127 (1997 ).
16.
Sánchez
F. C.
Rutan
S. C.
Garcia
Gil M. D.
Massart
D. L.
, Chemom. Intell. Lab. Syst. 36 , 153 (1997 ).
17.
Gourvénec
S.
Massart
D. L.
Rutledge
D. N.
, Chemom. Intell. Lab. Syst. 61 , 51 (2002 ).
18.
Tauler
R.
Barcelo
D.
, Trends Anal. Chem. 12 , 319 (1993 ).
19.
Tauler
R.
Kowalski
B.
Fleming
S.
, Anal. Chem. 65 , 2040 (1993 ).
20.
Tauler
R.
Smilde
A.
Kowalski
B.
, J. Chemom. 9 , 31 (1995 ).
21.
De Juan
A.
Rutan
S. C.
Tauler
R.
Massart
D. L.
, Anal. Chim. Acta 346 , 307 (1997 ).
22.
Savitsky
A.
Golay
M. J. E.
, Anal. Chem. 36 , 1627 (1964 ).
23.
Tauler
R.
, Chemom. Intell. Lab. Syst. 30 , 133 (1995 ).
