title: Mesoscale modeling of phase transition dynamics of thermoresponsive polymers.
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.
authors.affiliation: Division of Applied Mathematics, Brown University, Providence, RI 02912, USA. george_karniadakis@brown.edu.
authors.forename: Zhen
authors.initials: Z
authors.lastname: Li
authors.forename: Yu-Hang
authors.initials: YH
authors.lastname: Tang
authors.forename: Xuejin
authors.initials: X
authors.lastname: Li
authors.forename: George Em
authors.initials: GE
authors.lastname: Karniadakis
mesh_terms: D008958:Models, Molecular; D044367:Phase Transition; D011108:Polymers / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D011108:Polymers