Man y-body and quantum effect s in some thermod ynamic properties and infinite shear modulus of the HFD-like an d Lenna rd-Jones fluids using the radial di stribution function

Using statistical mechanics methods, t he thermodynamic pr operties su ch as pressure and internal energy can be obtain ed from the intermol ecular pote ntial and the RDF. The main difficulty arises in the calculation of those functions, and the problem has usually been solved by cons idering the RDF of the liquid phase for a LJ fluid [۱].In this work, many body an d quantum effects have been con sidered in the calculations of pressure, internal energy, a nd the infinite-freque ncy shear modulus using the statisticalmechan ical formula with th e two-body HFD-like and LJ p otentials for neon an d argon, respectively. The required RDFs have been used from three recently determined accurate expressions in the literature . MD sim ulations have been also applied to generate the expression for the RDF of HFD-like f luids in th e extended ranges o ftemperatu res and densitie s. The quantum corrections for the neon system have been cons idered usin g the FH and WK approac hes. The s imple three-body potentials ofHauschild and Prausn itz [۲], Wang and Sadus [۳], and Gu zman et al. [۴] used with the two-body HFD-like potential of argon without requirin g an expensive three- body calculation.

کلیدواژه ها:

Radial distribution function ، Quantum correction ، Many-body interaction