Da. Tikhonov et Gn. Sarkisov, LOCAL-STRUCTURE OF SOLVATION OF NONPOLAR CHAINS IN NONPOLAR-SOLVENTS AT INFINITE DILUTION, Journal of structural chemistry, 37(4), 1996, pp. 639-644
The SSOZ (site-site Ornstein-Zernike) equation is used to study the lo
cal structure of solvation of linear nonpolar molecules in nonpolar so
lvents. The atom-atomic interaction potentials are described by the Le
nnard-Jones potential The chain-solvent atom-atomic pair correlation f
unctions are calculated in relation to the chain length (number of ato
ms), solvent density, and the ratio of the geometrical parameters of s
olvent and chain atoms.