Prediction of lower critical solution temperature of N-isopropylacrylamide-acrylic acid copolymer by an artificial neural network model

被引:13
作者
Kayi, H [1 ]
Tuncel, SA
Elkamel, A
Alper, E
机构
[1] Univ Erlangen Nurnberg, Comp Chem Ctr, Erlangen, Germany
[2] Univ Waterloo, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada
[3] Hacettepe Univ, Dept Chem Engn, TR-06532 Ankara, Turkey
关键词
lower critical solution temperature; neural networks; N-isopropylacrylamide-acrylic acid copolymer;
D O I
10.1007/s00894-004-0221-x
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
In this paper, we have investigated the lower critical solution temperature (LCST) of N-isopropylacrylamide-acrylic acid (NIPAAm-AAc) copolymer as a function of chain-transfer agent/initiator mole ratio, acrylic acid content of copolymer, concentration, pH and ionic strength of aqueous copolymer solution. Aqueous solutions with the desired properties were prepared from previously purified polymers, synthesized at 65 degreesC by solution polymerization using ethanol. The effects of each parameter on the LCST were examined experimentally. In addition, an artificial neural network model that is able to predict the lower cretical solution temperature was develeped. The predictions from this model compare well against both training and test data sets with an average error less than 2.53%.
引用
收藏
页码:55 / 60
页数:6
相关论文
共 17 条
[1]   Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research [J].
Agatonovic-Kustrin, S ;
Beresford, R .
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2000, 22 (05) :717-727
[2]   Artificial neural networks: fundamentals, computing, design, and application [J].
Basheer, IA ;
Hajmeer, M .
JOURNAL OF MICROBIOLOGICAL METHODS, 2000, 43 (01) :3-31
[3]  
BAUGHMAN DR, 1990, NEURAL NETWORKS BIOP
[4]   SWELLING OF THIN FILMS .1. ACRYLAMIDE-N-ISOPROPYLACRYLAMIDE COPOLYMERS IN WATER [J].
CHIKLIS, CK ;
GRASSHOFF, JM .
JOURNAL OF POLYMER SCIENCE PART A-2-POLYMER PHYSICS, 1970, 8 (09) :1617-+
[5]  
Churchland Patricia S., 1992, The Computational Brain, DOI DOI 10.7551/MITPRESS/2010.001.0001
[6]  
Demuth H., 1998, NEURAL NETWORK TOOLB
[7]   A neural network prediction model of fluid displacements in porous media [J].
Elkamel, A ;
Karkoub, M ;
Gharbi, R .
COMPUTERS & CHEMICAL ENGINEERING, 1996, 20 :S515-S520
[8]   Measurement and prediction of ozone levels around a heavily industrialized area: a neural network approach [J].
Elkamel, A ;
Abdul-Wahab, S ;
Bouhamra, W ;
Alper, E .
ADVANCES IN ENVIRONMENTAL RESEARCH, 2001, 5 (01) :47-59
[9]   TRAINING FEEDFORWARD NETWORKS WITH THE MARQUARDT ALGORITHM [J].
HAGAN, MT ;
MENHAJ, MB .
IEEE TRANSACTIONS ON NEURAL NETWORKS, 1994, 5 (06) :989-993
[10]  
Haykin S., 1999, Neural Networks: A Comprehensive Foundation, V2nd ed