Industrial & Engineering Chemistry Research, Vol.35, No.11, 4336-4341, 1996
Metastable and Unstable Fluid States by Molecular Simulation
A method of determination of thermodynamic properties of metastable and unstable fluid states by molecular simulation is presented. As illustrative examples spinodal and binodal states are calculated for the Lennard-Jones fluid, ethane, and n-butane using the optimized potentials for liquid simulations for the representation of the real molecules.