An equation of state for lennard-jones pure fluids applicable over a very wide temperature range

An accurate Van der Waals-type equation of state for the Lennard-Jones fluid

“…The cutoff radius was taken to be half of the box length. The estimation of the statistical uncertainties was made on the basis Johnson et al [ 1 ] p*, u* Nicolas et al [3] p*, u* Miyano [5] p*, u* Saager et al [17] p*, u* Kolafa et al [18] p*, u* Kriebel [ 19] p*, u* This work t' p*, u* Lotfi et al [20] p*, u*, p*, p'*, p"*, LIh~* Barker et al [16] B*, C* From the simulation data in these sets, again 25 % got a lower weighting or were excluded at all in the construction of the equation of state. h See Table I.…”

“…The Lennard-Jones (L J) fluid is the most widely used model of a simple realistic fluid and, hence, several equations of state (EOS) have been published recently [1][2][3][4][5] [2], on the other hand, wanted to cast their equation into a form inspired by perturbation theory. Our aim is to lind an equation for the Helmholtz energy F in the form of a generalized van der Waals equation, F= F H + FA, where F, accounts for the hard body interaction and F A for the attractive dispersion forces.…”

Thermal and caloric equations of state for stable and metastable Lennard-Jones fluids: I. Molecular-dynamics simulations

“…This predetermines its widespread use for checking liquid-states theories and as the object of investigation in computer-simulation methods (methods of Monte-Carlo (MC) and molecular dynamics (MD)). Computer experiments have yielded sufficiently comprehensive information on the equation of state of a one-component LJ fluid: Verlet [1], Hansen and Verlet [2], Hansen [3,4], McDonald and Singer [5], Adams [6,7], Nicolas et al [8], Adachi et al [9], Miyano [10], Saager and Fisher [11], Kolafa et al [12], Johnson et al [13], Mecke et al [14], Sower and Sandler [15], Kolafa and Nezbeda [16], Lotfi et al [17]. In all the papers mentioned above p, ρ, T -data and the internal energy have been calculated.…”

“…Analytical equations of state of the van der Waals type that approximate the results of computer calculations of thermodynamic properties of the LJ fluid have been obtained by Nicolas et al [8], Sower and Sandler [15], Johnson et al [13], Miyano [10], Kolafa and Nezbeda [16], and Mecke et al [14].…”

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17], are devoted to thermodynamic properties of the LJ fluid. The paper differs from the previous ones in the following aspects: firstly, the isochoric heat capacity c v is calculated for the first time along with the (p, ρ, T) -properties, where p is pressure, ρ is density, T is temperature, and the internal energy e; secondly, particular attention in calculations is given to the region of liquid-gas phase transition and the critical region.…”