SENSITIVITY ANALYSIS OF THE VAPOR-LIQUID PHASE-EQUILIBRIA OF A MODEL OF LIQUID CARBON-DISULFIDE

Sensitivity analysis of the vapour-liquid phase equilibrium properties of a three-centre Lennard-Jones model for liquid carbon disulphide wa s performed. The partial derivatives of the internal energies and dens ities with respect to the intermolecular potential parameters were det ermined by Monte Carlo simulations in the Gibbs ensemble using analyti cal formulas. The method is an efficient tool for refining effective i ntermolecular potentials by fitting to experimental saturation propert ies.