Abstract: Prediction of Hg0 and HgCl<sub>2</sub> Adsorption Properties in UiO-66 Using Optimized Force-Fields (2018 AIChE Annual Meeting)

Hongjian Tang^1,2, Hanjun Fang², David S. Sholl² and Yufeng Duan¹, (1)School of Energy and Environment, Southeast University, Nanjing, China, (2)School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA

See more of this Session: Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)
See more of this Group/Topical: Computational Molecular Science and Engineering Forum

537345 Prediction of Hg0 and HgCl2 Adsorption Properties in UiO-66 Using Optimized Force-Fields

537345 Prediction of Hg0 and HgCl₂ Adsorption Properties in UiO-66 Using Optimized Force-Fields