2016年6月29日下午，美國(guó)阿肯色大學(xué)Xianghong Qian教授在四川大學(xué)望江校區(qū)beat365245室分別做了題目為“Simulations of Responsive Polymers for Membrane”的精彩學(xué)術(shù)報(bào)告。會(huì)議由beat365院長(zhǎng)褚良銀教授主持、來自四川大學(xué)beat365和化學(xué)學(xué)院的教師和同學(xué)共同參加了此次報(bào)告會(huì)。
首先，Qian教授大致介紹了響應(yīng)膜在工業(yè)過程中的廣泛應(yīng)用，包括水處理、化工醫(yī)藥、生物分離與純化等等領(lǐng)域，接著講解了兩種溫度響應(yīng)型高分子聚合物聚（N-異丙基丙烯酰胺）（PNIPAM）和聚（己內(nèi)酰胺）（PVCL）的構(gòu)想變化。這兩種高分子可以響應(yīng)環(huán)境刺激如溫度和離子強(qiáng)度從而改變它們的構(gòu)象。然后Xianghong Qian教授介紹了利用經(jīng)典分子動(dòng)力學(xué)（MD）。模擬了鹽濃度對(duì)PNIPAM和PVCL兩種溫度響應(yīng)型高分子的低臨界溶解溫度的影響。同時(shí)，Qian教授也提出了結(jié)合量子力學(xué)和經(jīng)典力學(xué)來計(jì)算季銨鹽陽離子和羧酸陰離子之間的距離從而用于研究羧基甜菜堿兩性離子的水合特性，這對(duì)開發(fā)抗污染聚合物和表面具有十分重要的指導(dǎo)意義。
在提問環(huán)節(jié)， Qian教授與現(xiàn)場(chǎng)師生就PNIPAM和PVCL兩種高分子的比較以及動(dòng)力學(xué)模擬等問題進(jìn)行了探討。最后，大家又報(bào)以熱烈的掌聲感謝了Qian教授的精彩報(bào)告。
Xianghong Qian教授做報(bào)告
附2：Xianghong Qian教授簡(jiǎn)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.
膜科學(xué)與功能材料研究室供稿
2016年7月1日
