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Simulating the vapour-liquid equilibria of 1,4-dioxane
Journal article   Peer reviewed

Simulating the vapour-liquid equilibria of 1,4-dioxane

AO Yazaydin and RW Thompson
MOLECULAR SIMULATION, Vol.32(8), pp.657-662
01/07/2006

Abstract

Science & Technology Physical Sciences Chemistry Physical Physics Atomic Molecular & Chemical Chemistry Physics CHEMISTRY PHYSICAL PHYSICS ATOMIC MOLECULAR & CHEMICAL cyclic ether molecular simulation phase equilibria force field UNITED-ATOM DESCRIPTION MONTE-CARLO SIMULATIONS PHASE-EQUILIBRIA TRANSFERABLE POTENTIALS THERMODYNAMIC PROPERTIES COMPUTER-SIMULATIONS MOLECULAR-DYNAMICS GIBBS ENSEMBLE ALKANES VAPORIZATION
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