Hard-sphere radial distribution function again.
A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint. Physical arguments then leave only three parameters in the equation of g(r) that are to be solved numerically, whereas all remaining ones are taken from the analytical solution of the Percus-Yevick equation.
Trokhymchuk
Andrij
A
Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, USA. adt@1cmp.lviv.ua
Nezbeda
Ivo
I
Jirsák
Jan
J
Henderson
Douglas
D
D000465:Algorithms; D002627:Chemistry, Physical / Q000379:methods*; D006244:Hardness; D044085:Microfluidics / Q000379:methods*; D015233:Models, Statistical; D008962:Models, Theoretical; D044367:Phase Transition; D013499:Surface Properties