Abstract
The excess Helmholtz free energy Δ A of two models of water, the revised central force model and the simple point charge model, has been calculated by molecular dynamics computer simulation. The method of “thermodynamic integration” has been used to calculate the free energy difference between the (model) water and an ideal gas of molecules at the same temperature and volume. For this particular thermodynamic property, Ewald sums and truncated potentials yield the same results.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
