Hypernetted-chain structures

To solve the replica OZ equations, they must be completed by closure relations. Several closures have been tested against computer simulations for various models of fluids adsorbed in disordered porous media. In particular, common Percus-Yevick (PY) and hypernetted chain approximations have been applied [20]. Eq. (21) for the matrix correlations can be solved using any approximation. However, it has been shown by Given and Stell [17-19] that the PY closure for the fluid-fluid correlations simplifies the ROZ equation, the blocking effects of the matrix structure are neglected in this... 

The closure relations to the 3D-RISM equation are constructed in analogue to those of the site-site RISM theory. The hypernetted chain (HNC) closure to the RISM equations for the radial site-site correlation functions appeared to be most successful and adequate for the description of the structure and thermodynamics of polar liquids [64, 65, 66, 67]. The molecular HNC closure is written as [21]... 

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