Date of Award
8-1985
Degree Name
Master of Arts
Department
Physics
First Advisor
Dr. David D. Carley
Second Advisor
Dr. Michitoshi Soga
Third Advisor
Dr. Larry D. Oppliger
Access Setting
Masters Thesis-Open Access
Abstract
Integral equation T (a two parameter equation of the Ornstein-Zernike form) is studied for computing the radial distribution functions of simple classical fluids interacting pairwise according to the Lennard-Jones 6-12 potential function. Numerical calculations are done on a computer for the system in the gas and liquid phases. At a high temperature, equation T results are found to agree very well with equation C when the parameters are chosen in a similar way. At a temperature slightly above the critical temperature, results from other sources over a wide density range. In equation T, by varying two of the parameters, the importance of the various terms in the power series expansion can be detected. A new one parameter integral equation is proposed, however more studies should be done to this equation before its usefulness can be acknowledged.
Recommended Citation
Hassan, Zainuriah, "A Study of Integral Equations for Computing Radial Distribution Functions" (1985). Masters Theses. 1383.
https://scholarworks.wmich.edu/masters_theses/1383