Molecular dynamics studies of an m-6-8 fluid

摘要: Abstract The pressure, energy and self-diffusion coefficient have been calculated for an 11-6-8 fluid using the method of molecular dynamics. A comparison with data argon, krypton xenon is presented. It shown that agreement between theory experiment thermodynamic properties generally within estimated precision experimental values, provided three-body quantum corrections are included in calculation, except when density approaches triple-point density. Agreement theoretical coefficients satisfactory at all densities after allowance made long-time behaviour velocity autocorrelation function. We demonstrate forces important liquid our estimates such very close to those suggested by Barker, Fisher Watts.