2015/04/27 by Zhen Li, Li, Zhen, Yu-Hang Tang +6 · 1 citation
Computer Science · Engineering · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Engineering #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Material Dynamics and Properties #Materials Science (cond-mat.mtrl-sci) #Phase Equilibria and Thermodynamics #Polymer crystallization and properties #and Science (cs.CE) #cond-mat.mtrl-sci #cs.CE #physics.chem-ph #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1504.07094
Manuscript submitted to Chemical Communications
arxiv created 2015/04/27 · openalex publication_date 2015/04/27 · arxiv updated 2015/04/28 · openalex created_date 2019/06/27 · openalex updated_date 2026/07/28
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.