A molecular dynamics study of the mechanism of kinetic inhibition

摘要

Over the past 10 years interest in the use of kinetic inhibitors for preventing gas hydrate blockage 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 o f a family of sulfonate compounds whose structures are related to a group of known quaternary amine kinetic inhibitors.