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Molecular dynamics simulation on the decomposition of type SII hydrogen hydrate and the performance of tetrahydrofuran as a stabiliser

✍ Scribed by Geng, Chun-Yu; Han, Qing-Zhen; Wen, Hao; Dai, Zhen-Yu; Song, Chun-Hua


Book ID
120521343
Publisher
Taylor and Francis Group
Year
2010
Tongue
English
Weight
855 KB
Volume
36
Category
Article
ISSN
0892-7022

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Reverse Monte Carlo (RMC) calculations have been carried out on aqueous LiCl solutions at several concentrations, comparing experimental X-ray and neutron diffraction data with partial radial distribution functions (prdf) from Molecular Dynamics (MD) simulations based on conventional ion-ion, ion-wa