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Issue 55, 2015
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Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

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Abstract

We present a non-isothermal mesoscopic model for investigation of the phase transition dynamics of thermoresponsive polymers. Since this model conserves energy in the simulations, it is able to correctly capture not only the transient behavior of polymer precipitation from solvent, but also the energy variation associated with the phase transition process. Simulations provide dynamic details of the thermally induced phase transition and confirm two different mechanisms dominating the phase transition dynamics. A shift of endothermic peak with concentration is observed and the underlying mechanism is explored.

Graphical abstract: Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

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Publication details

The article was received on 25 Feb 2015, accepted on 03 Jun 2015 and first published on 04 Jun 2015


Article type: Communication
DOI: 10.1039/C5CC01684C
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Citation: Chem. Commun., 2015,51, 11038-11040

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    Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

    Z. Li, Y. Tang, X. Li and G. E. Karniadakis, Chem. Commun., 2015, 51, 11038
    DOI: 10.1039/C5CC01684C

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