Ž . In this work, we apply the Gibbs–Duhem integration GDI technique to obtain the vapor–liquid equilibrium Ž . VLE properties of hydrogen fluoride according to three potential models. Properties examined include coexistence densities, enthalpy of vaporization, and vapor pressure. The models are representative of the various types of potentials used in simulation studies; namely, a pure pair po...

an analytical equation of state was applied to calculate the thermodynamic properties for argon.the equation of state is that of song and mason. it is based on a statistical-mechanical perturbationtheory of the hard convex bodies and can be written as fifth-order polynomial in the density. thereexist three temperature-dependent parameters: the second virial coefficient, an effective molecularvo...

Theoretical studies of self-assembly processes and condensed phases in colloidal systems are often based on effective interparticle potentials. Here we show that developing an effective potential for particles interacting with a limited number of "lock-and-key" selective bonds (due to the specificity of biomolecular interactions) requires-in addition to the nonsphericity of the potential-a (man...

computer simulation techniques are employed to obtain binding energies of 2,3 and 4 vacancy clusters in a -iron using the finnis sinclair many body potential. the results are compared with earlier pair potential calculations. the many body potential is found to be quite successful in simulating vacancy clusters