Numerical solution of the SSOZ equation by extension of Gillan's method to nonhomonuclear molecular fluids
- 1 September 1985
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 56 (1), 129-140
- https://doi.org/10.1080/00268978500102221
Abstract
The method of Gillan for solving the Ornstein-Zernike equation is applied to the SSOZ equation. Solutions are obtained for complex molecular models which represent CCl4, N2/O2 and CO2/ethane liquids. The peculiarities resulting from the extension of Gillan's algorithm for the description of these fluids are discussed. Site-site correlation functions are obtained and the calculated internal energy shows good agreement with computer simulation results.Keywords
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