2016年6月29日下午，美国阿肯色大学Xianghong Qian教授在四川大学望江校区化工学院245室分别做了题目为“Simulations of Responsive Polymers for Membrane”的精彩学术报告。会议由化工学院院长褚良银教授主持、来自四川大学化工学院和化学学院的教师和同学共同参加了此次报告会。

首先，Qian教授大致介绍了响应膜在工业过程中的广泛应用，包括水处理、化工医药、生物分离与纯化等等领域，接着讲解了两种温度响应型高分子聚合物聚（N-异丙基丙烯酰胺）（PNIPAM）和聚（己内酰胺）（PVCL）的构想变化。这两种高分子可以响应环境刺激如温度和离子强度从而改变它们的构象。然后Xianghong Qian教授介绍了利用经典分子动力学（MD）。模拟了盐浓度对PNIPAM和PVCL两种温度响应型高分子的低临界溶解温度的影响。同时，Qian教授也提出了结合量子力学和经典力学来计算季铵盐阳离子和羧酸阴离子之间的距离从而用于研究羧基甜菜碱两性离子的水合特性，这对开发抗污染聚合物和表面具有十分重要的指导意义。

在提问环节， Qian教授与现场师生就PNIPAM和PVCL两种高分子的比较以及动力学模拟等问题进行了探讨。最后，大家又报以热烈的掌声感谢了Qian教授的精彩报告。

Xianghong Qian教授做报告

附2：Xianghong Qian教授简介：

Xianghong Qian is a professor in the Department of Biomedical Engineering at the University of Arkansas at Fayetteville. Prior to joining UAF, she was a faculty member from the Department of Mechanical Engineering at Colorado State University. She has a BS degree in Chemistry from Nanjing University, China and a Ph.D. in Theoretical Chemistry from the George Washington University, USA. She did her postdoctoral research in Condensed Matter Theory at the Max-Planck Institute for Microstructure Physics, Germany. She has also had experiences in industry and national laboratory before joining the academia.

Prof. Qian’s major research interests focus on investigating the fundamental processes involved in catalytic conversion of biomass to biofuels, smart polymers for membrane applications, developing antifouling surfaces, and in biomedical research involving protein folding and mis-folding using theoretical and computational techniques. Ab initio and classical molecular dynamics simulation methods combined with static quantum mechanical calculations are used to elucidate the many underlying chemical and biochemical processes at the molecular level. She is the recipient of 2009 NSF CAREER award and has over 60 peer-reviewed journal publications, 7 book chapter publications and 3 patents.

膜科学与功能材料研究室供稿

2016年7月1日