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A Molecular Dynamics Study of the Mechanism of Kinetic Inhibition
Author(s) -
STORR MARK T.,
RODGER P. MARK
Publication year - 2000
Publication title -
annals of the new york academy of sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.712
H-Index - 248
eISSN - 1749-6632
pISSN - 0077-8923
DOI - 10.1111/j.1749-6632.2000.tb06822.x
Subject(s) - kinetic energy , chemistry , molecular dynamics , hydrate , clathrate hydrate , nucleation , fish <actinopterygii> , amine gas treating , computational chemistry , biology , organic chemistry , physics , fishery , quantum mechanics
A bstract : Over the past 10 years interest in the use of kinetic inhibitors for preventing gas hydrate blockages has gained momentum. This interest stemmed from the discovery of a protein in the fish Winter Flounder that depressed the freezing point of water as well as retarding the rate of ice nucleation and growth, so allowing the fish to survive in Arctic conditions. In this paper we present results of a series of molecular dynamics simulations aimed at investigating the action of a family of sulfonate compounds whose structures are related to a group of known quaternary amine kinetic inhibitors.