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

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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.

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Acknowledgements

This work was supported by The Scientific and Technical Research Council of Turkey (TÜB İ TAK, MISAG-242).

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Authors and Affiliations

  1. Chemical Engineering Department, Hacettepe University, Beytepe, Ankara, Turkey

    Hakan Kayı, S. Ali Tuncel & Erdoğan Alper

  2. Chemical Engineering Department, University of Waterloo, Ontario, Canada

    Ali Elkamel

  3. Computer-Chemie-Centrum, Erlangen-Nürnberg University, Erlangen, Germany

    Hakan Kayı

Authors
  1. Hakan Kayı
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  2. S. Ali Tuncel
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  3. Ali Elkamel
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  4. Erdoğan Alper
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Correspondence to Hakan Kayı.

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Kayı, H., Tuncel, S.A., Elkamel, A. et al. Prediction of lower critical solution temperature of N-isopropylacrylamide–acrylic acid copolymer by an artificial neural network model. J Mol Model 11, 55–60 (2005). https://doi.org/10.1007/s00894-004-0221-x

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  • DOI: https://doi.org/10.1007/s00894-004-0221-x

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