Gj. Chen et Tm. Guo, A sequential-analytic method for determining the radial distribution function and predicting the thermodynamic properties of real fluids, J CHEM PHYS, 110(4), 1999, pp. 2151-2158
A new concept of differential phase has been proposed. The flux of molecule
s between two phases, rather than the fugacity, is used to formulate the ph
ase equilibrium. A double-resistance physical model is presented for modell
ing the flow of molecules through the interface of two phases. By equating
the equilibrium between differential phase and bulk phase, a generalized se
quential-analytic method for determining the radial distribution function (
RDF) is developed. The proposed method is capable of giving RDF values clos
e to those obtained by molecular simulation. It has been shown that when co
upled with the Lennard-Jones potential model, the pressure-volume-temperatu
re (PVT) relation of pure fluids with molecular size up to n-hexane can be
predicted satisfactorily in wide ranges of temperature and pressure. (C) 19
99 American Institute of Physics. [S0021-9606(99)52802-X].