Speaker: Dr. Lifeng Ding (Department of Chemistry, Xi’an JiaoTong-Liverpool University)
Title: Molecular Simulations of Gas Storage/Separation in Nanoporous Materials
Time: 10：00 AM, Mar 20th
Location: 909-B, Dushu Lake Campus
Abstract:
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.
Speaker Biography:
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
