The Asymptotic Behavior of the Site-Site Ornstein-Zernike Equation and RISM-2 Approximations for Polyatomic Molecular Fluids
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概要
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It is shown that the asymptotic properties of the reference interaction site model(RISM)-2 type integral equations for polyatomic molecular fluids are quite similar tothose of simple fluids. The exact asymptotic form of the new site-site direct correla-tion function C.,(r), which is defined by the site-site Ornstein-Zernike equation, isgiven by using the exact asymptotic form of the site-site total correlation function.The result is C.,(r) : - &(l, 2) /k.T for nonpolar fluids composed of homonucleardiatomic molecules as well as heteronuclear diatomic molecules, where &(l, 2) is anintermolecular potential, k. the Boltzmann constant and Tthc absolute temperature.The asymptotic form of C.,(r) given by the RISM-2 approximations is found to be inaccordance with the exact result. Thus, the RISM-2 theory is concluded to have notheoretical inconsistency like that in the RISM-1 theory.
- 社団法人日本物理学会の論文
- 1986-09-15
著者
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Arakawa K
Research Institute Of Applied Electricity Hokkaido University
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Arakawa Kiyoshi
Research Institute Of Applied Electricity Hokkaido University
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Ohba M
Research Institute Of Applied Electricity Hokkaido University
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OHBA Masaharu
Research Institute of Applied Electricity,Hokkaido University
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Ohba Masaharu
Research Institute Of Applied Electricity Hokkaido University
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