An extended expression for the radial distribution function of HFD-like fluid for investigation of many-body and quantum effects in some transport properties

作者：Abbaspour M^*; Jorabchi M Namayandeh

来源：Journal of Molecular Liquids, 2014, 195: 175-181.

DOI：10.1016/j.molliq.2014.02.036

• Transport property
• Radial distribution function
• Quantum correction
• Many-body interaction

The previous expression of Abbaspour and Keyvanloo (2013) for radial distribution RDF) of the HFD-like fluid has been developed as a continuous function of reduced interparticle distance, temperature, and density. This expression reproduces the RDF data in the range 1.1 %26lt;= T* %26lt;= 4.4 and 0.43 %26lt;= rho* %26lt;= 0.82 with fairly good accuracy. We have also calculated shear viscosity, self-diffusion coefficient, and thermal conductivity of two-body HFD-like potential using the statistical mechanical equations for liquid neon. Quantum corrections have been also considered using the Feynman-Hibbs (FH) approach for the HFD-like system. To take many-body forces into account, the simple three-body potentials of Wang and Sadus (2006) and Hauschild and Prausnitz (1993) have been used with the two-body HFD-like potential without requiring an expensive three-body calculation. The results show that the quantum and three-body effects improve the prediction of the transport properties of the HFD-like fluid. We have also concluded that our (quantum and many-body) corrected HFD-like potential is superior than a recently quantum LJ model.

• 出版日期2014-7