Journal of Molecular Modeling

, Volume 11, Issue 1, pp 55–60 | Cite as

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

  • Hakan Kayı
  • S. Ali Tuncel
  • Ali Elkamel
  • Erdoğan Alper
Original Paper

Abstract

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 °C 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%.

Figure Cross plot of predicted and experimental LCST values for the testing data set.

Keywords

Lower critical solution temperature neural networks N-isopropylacrylamide–acrylic acid copolymer 

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Copyright information

© Springer-Verlag 2004

Authors and Affiliations

  • Hakan Kayı
    • 1
    • 3
  • S. Ali Tuncel
    • 1
  • Ali Elkamel
    • 2
  • Erdoğan Alper
    • 1
  1. 1.Chemical Engineering DepartmentHacettepe UniversityBeytepe, AnkaraTurkey
  2. 2.Chemical Engineering DepartmentUniversity of WaterlooOntarioCanada
  3. 3.Computer-Chemie-CentrumErlangen-Nürnberg UniversityErlangenGermany

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