Abstract
Monte Carlo simulations of linear Kihara fluids with embedded point quadrupoles are reported for several elongations and values of the quadrupole. The quadrupolar contribution to the Helmholtz free energy is obtained and the effect of quadrupole on the structure is studied. The data obtained should be useful to check perturbation theories of convex quadrupolar Kihara fluids. An attempt to model carbon dioxide with the quadrupolar Kihara model has also been carried out. It is shown that accounting for the quadrupole moment in the model improves the agreement with measured properties. Overall this agreement is found to be good. These results encourage further theoretical work with this potential model.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.