【学术报告】范春艳：On the understanding of gas adsorption in nano-porous materials via molecular simulation

今邀请澳大利亚昆士兰大学范春艳博士来我校进行学术访问并作学术报告，届时将与我校有关专家学者进行学术交流。欢迎广大师生踊跃参加！

报告题目：On the understanding of gas adsorption in nano-porous materials via molecular simulation

报告时间：2019年12月27日（周五）下午2:30

报告地点：13号教学楼404室

附件:范春艳博士简介

                       化学化工学院

                       科学技术处

                          2019年12月25日

附件

范春艳博士简介

范春艳，澳大利亚昆士兰大学化学工程博士，现任澳大利亚科廷大学化学工程高级讲师，主要研究方向为物理科学和工程学中各种吸附现象的基本机理研究。范春艳博士在Chemical Engineering Science和Chemical Engineering Journal等国际知名化工领域期刊发表了40多篇高水平文章，并获得了澳大利亚研究委员会的Discovery Early Career Research Award（2016）和科廷大学Pro Vice Chancellor's Early Career Research Award（2015）。目前，范春艳博士正在主持一项澳大利亚研究委员会的科研项目，资助金额为30万澳元。

报告摘要：Adsorption process is widely used in many applications in industries, e.g. removal of unwanted impurities, gases separations, etc. To further improve existing processes or develop new technologies in the relevant fields, it is essential to understand the underlying mechanisms of various adsorption phenomena observed experimentally. This could be realized through the Molecular Simulation, which has emerged as a powerful tool in providing the microscopic insight into the various interactions within a given system, with the advances in computer software and hardware. In this presentation, Monte Carlo simulation is employed to investigate systematically the adsorption behaviour of gases in nano-porous materials, ranged from the adsorption isotherms, hysteresis, isosteric heat, to the adsorption induced deformation, with bringing the effects of force field, pore geometry, temperature, etc. into consideration.