Evaluation of high-frequency elastic moduli and shear relaxation time of the Lennard-Jones fluid using three known analytical expressions for radial distribution function

A molecular dynamics study on the role of attractive and repulsive forces in isobaric heat capacity and sound velocity of sub- and supercritical dense fluids

“…Several expressions for analytical g(r, , T) have been presented by fitting to simulation data [23][24][25]. Analytical radial distribution functions have been used for the calculation of different thermodynamic properties [26][27][28][29][30]. By separating the role of attractive and repulsive forces, there is no possibility for the calculation of above integral.…”

Evaluation of P–V–T differential properties of the Lennard-Jones fluid using radial distribution functions and molecular dynamics

“…Recently, these expressions have been used for evaluation of high-frequency elastic moduli and shear relaxation time [4]. In previous cases as a substitute method, radial distribution functions could have directly been obtained as a function of distance using molecular dynamics (MD) or integral equations.…”

The Heat Capacities From Analytical Distribution Functions

“…2,3 Analytical expressions for RDFs have most often been used for the evaluation of pressure and internal energy. [4][5][6][7] In previous cases as a substitute method, RDFs could have directly been obtained as a function of distance using molecular dynamics (MD) [8][9][10] or integral equations. 1 Recently, these expressions have been used for the evaluation of P -V -T differential properties, such as internal pressure, thermal pressure, and isothermal compressibility.…”