화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.150-151, 91-96, 1998
Solvation effects in the CF1 central force model of water : Molecular dynamics simulations
Molecular dynamics simulations are used to study the properties of water modelled by the CF1 potential. The shifted-force CF1 model of water is introduced and studied. By shifting the force and potential curves in such a way as to remove the long-range Coulomb tail, it is possible to form short-range potentials which capture a few features of the actual CF1 potentials. (C) 1998 Elsevier Science B.V. AU rights reserved.