Abstract
Two empirical potential models for propane are presented. The potential parameters were chosen to fit the experimental second virial coefficient and the bubble densities of propane. With the obtained parameters, the agreement between molecular dynamics simulation results for pressure, internal energy, and experimental values of these properties is good. We also present simulated results for the properties of a reference anisotropic system defined within the WCA spirit. Rapid convergence of the perturbation scheme is clearly shown; giving the computed values of A1 and A2. These values can be useful to test the different approximations contained in a perturbation theory recently proposed for these types of potentials. In addition, we also evaluate from the simulations, the estimated value of the self-diffusion coefficient of propane.
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.
