THE 2ND VIRIAL-COEFFICIENTS FOR WATER FROM MONTE-CARLO INTEGRATION USING REDUCED EFFECTIVE CHARGES

Authors
KONG YC NICHOLSON D PARSONAGE NG
Citation
Yc. Kong et al., THE 2ND VIRIAL-COEFFICIENTS FOR WATER FROM MONTE-CARLO INTEGRATION USING REDUCED EFFECTIVE CHARGES, Molecular simulation, 13(1), 1994, pp. 39-46
Citations number
7
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular simulation → ACNP
ISSN journal
08927022
Volume
13
Issue
1
Year of publication
1994
Pages
39 - 46
Database
ISI
SICI code
0892-7022(1994)13:1<39:T2VFWF>2.0.ZU;2-8
Abstract
The reduction of the dipole moment of effective pair potentials of rig id water models enables accurate second virial coefficients to be dete rmined over the whole temperature range. Subsequent Isothermal-Isobari c (NPT) ensemble simulations of water vapour have shown that there is a significant difference in vapour densities between the modified wate r potentials.