Applying the Z method to estimate temperatures of melting in structure II clathrate hydrates

Equilibrium melting temperatures for structure II THF hydrate and argon/xenon (Ar/Xe) binary hydrate have been calculated using molecular dynamics using two melting techniques, namely the Z method [Belonoshko et al. , Phys. Rev. B , 2006, 73 , 012201] (applied for the first time to complex molecular...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2011-11, Vol.13 (44), p.19979-19987
Hauptverfasser:	Finney, Aaron R, Rodger, P. Mark
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Clathrate hydrates Driving conditions Exact sciences and technology General and physical chemistry Hydrates Mathematical analysis Melting Molecular structure Simulation Thermodynamics
Online-Zugang:	Volltext
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