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西交利物浦大学丁理峰博士3月20日上午学术报告
发布时间:2018-03-16 点击:1

报告人:Dr. Lifeng Ding (Department of Chemistry, Xi’an JiaoTong-Liverpool University)

报告题目:Molecular Simulations of Gas Storage/Separation in Nanoporous Materials

报告时间:320日上午1000

报告地点:909-B

  

摘要:

Adsorption of gas molecules inside nanoporous materials lies at the heart of many environmentally and industrially important applications, such as CO2 capture, hydrogen/methane storage, and gas mixtures’ separations etc. In recent years, the family of nanoporous materials has expanded significantly. Molecular modelling can be an economically viable way to characterize and investigate nanoporous materials for specific applications. Moreover, molecular modelling provides a molecular-level understanding of gas adsorption behaviour in nanoporous materials. In this talk, different molecular simulation approaches, such as density functional theory (DFT), Grand Canonical Monte Carlo simulation (GCMC) and Molecular Dynamics (MD) simulations were utilized to investigate various nanoporous materials, such as MOFs, COFs and ZIFs, as well as in-silico designed hypothetical nanoporous materials for different adsorption applications, such as, hydrogen/methane storage/purification, CO2 capture/storage.  

  

个人简介:

Research Interest

In-silico design and study of novel nanoporous materials for small molecules’ capture and storage.

  

Working Experience

Lecturer, Department of Chemistry, XJTLU, China, 2013 ~ Now

Marie Curie Post-Doctoral Research Fellow, Chemical Engineering Department, University of Surrey, UK, 2010 ~ 2013

  

Education

PhD, Department of Engineering, University of Leicester, UK, 2006 ~ 2010

Master of Research, Department of Chemistry, University of Nottingham, UK, 2004 ~ 2006

Bachelor of Science, Chemical Engineering Department, Nanjing University of Sci & Tech, China, 1999 ~ 2003

  

联系人:李有勇 教授

  

责任编辑:杨娟


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