The Second Virial Coefficients for Water from Monte Carlo Integration Using Reduced Effective Charges
- 1 April 1994
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 13 (1) , 39-46
- https://doi.org/10.1080/08927029408022183
Abstract
The reduction of the dipole moment of effective pair potentials of rigid water models enables accurate second virial coefficients to be determined over the whole temperature range. Subsequent Isothermal Isobaric (NPT) ensemble simulations of water vapour have shown that there is a significant difference in vapour densities between the modified water potentials.Keywords
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