报告题目：高分子结构、动力学与结晶行为的多尺度分子模拟方法开发

报告人：Visit Vao-soongnern（泰国素拉那立科技大学）

报告时间：2026年1月30日下午15:00

报告地址：广州国际校区C3-c204

邀请人：孔宪

邀请单位：前沿软物质学院

报告摘要：

A method of multiscale molecular simulation hasbeen developed to investigate the structures, dynamics, and crystallization ofpolymers. Chains were coarse-grained by grouping each monomer unit into one CGbead and then placed onto the high coordination lattice with intra- andinter-molecular interactions represented by the Rotational Isomeric State (RIS)model and the Lennard-Jones (LJ) potential energy function, respectively. Inthe first example, the effect of monomer sequences on the structures anddynamics of copolymer melts was studied using on-lattice Monte Carlo (MC) simulationof these CG models . In the second work, an efficient method to generate thefully atomistic models of polyether (PEO and PPO) melts can be successfullyvalidated according to the reverse-mapping procedure from CG models . In thefinal part, the early stage of crystallization induced by an instantaneousquench from the melts of mono- and binary mixtures of polyethylene oligomers atdifferent crystallization temperatures was recently reported using theon-lattice MC simulation of CG models . 

报告人简介：

Visit Vao-soongnern received his BS degree in Chemistryfrom Khon Kaen University (Thailand). After that, he got the Royal ThaiGovernment scholarship to study Polymer Science at The University of Akron(U.S.A.) and got a PhD degree in December 1999. He has been at School of Chemistry,Suranaree University of Technology (Thailand) since January 2000. His current researchactivities focus on developing a method of multiscale molecular simulation ofpolymers, including polymeric nanostructured materials (nanofilms, nanofibers,nanoparticles), amorphous polymers, and polymer crystallization. His group alsodeveloped a combined computational and experimental method of molecular dynamicsimulation and synchrotron X-Ray absorption spectroscopy (MD-EXAFS) tocharacterize the atomistic solvation structure of polymer/salt electrolytes.