Abstract
AbstractThe structural properties of the Independent‐Molecular‐Interaction‐Sites (IMIS) reference fluid for homonuclear hard dumbbell systems are investigated in the Percus‐Yevick and in the Hypernetted‐Chain approximation, respectively. The interaction‐site pair distribution functions obtained from the IMIS model are compared with the “exact” results from a Monte‐Carlo study and with predictions from the RISM theory. The calculations presented in this publication are suggesting, that the IMIS model represents a close approximation to the site‐site pair correlations of the real system.
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More From: Berichte der Bunsengesellschaft für physikalische Chemie
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