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Lattice relaxation in type I gas hydrates
Author(s) -
Rodger P. M.
Publication year - 1991
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690371008
Subject(s) - van der waals force , clathrate hydrate , lattice (music) , hydrate , molecule , thermodynamics , chemical physics , chemistry , relaxation (psychology) , condensed matter physics , materials science , physics , organic chemistry , psychology , social psychology , acoustics
Computer simulations have been used to examine the approximations upon which the van der Waals‐Platteeuw theory of hydrate stability is based, and in particular, the extent to which the water lattice relaxes about the guest molecules. It is found that the behavior of the water lattice depends significantly on both the nature and number of guest molecules present—an effect that is neglected in the van der Waals‐Platteeuw theory. The simulations also indicate an important role for the repulsive guest‐host interactions in generating the mechanical stability of gas hydrates in the bulk. On the basis of these simulations, it is conjectured that surface interactions (particularly at a water/guest interface) are fundamental to the phase behavior of gas hydrates.