Perturbation theory for the radial distribution function for simple polar fluids |
| |
Authors: | William G Madden Donald D Fitts |
| |
Institution: | Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19174, USA |
| |
Abstract: | The radial distribution function for a fluid whose molecules interact according to the Stockmayer potential was calculated by means of thermodynamic perturbation theory using two different approximations for the perturbation term and was compared with computer simulation results. The approximation based on the Percus-Yevick equation was found to be in much better agreement with the simulations than was the “simplified superposition approximation” to the perturbation term. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |