Abstract

Computer simulations (molecular dynamics) were performed for ensembles of flexible tangent Lennard-Jones chains consisting of n sites (n = 1, 2, 4, 8, and 16). From these simulations, the orthobaric liquid and vapour densities were calculated not only with the traditional method of simulating a liquid film in coexistence with vapour, but also using the rigorous thermodynamic condition of satisfying the chemical potential equality between the phases in equilibrium. The agreement with literature data, as far as such exist, is excellent.

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