Abstract
The accuracy of the temperature derivative of radial distribution function obtained under hypernetted chain (HNC), Kovalenko-Hirata (KH), Percus-Yevick (PY) and Verlet-modified (VM) closure approximations is examined for one-component Lennard-Jones fluid. As relevant thermodynamic quantities, constant-volume heat capacity and thermal pressure coefficient are investigated in terms of their accuracy under the above four approximations. It is found that HNC and KH closures overestimate these quantities, whereas PY closure tends to underestimate them. VM closure predicts rather accurately the quantities. A significant cancellation is observed along the integration for the above quantities under HNC and KH closures, especially at high density state.
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.
