A NEW PROCEDURE FOR DETERMINING LENNARD-JONES INTERACTION PARAMETERS

Because the connection factors between theoretical and experimental re sults of thermodynamic quantities are given through the molecular inte raction parameters, for chemical engineering applications it is necess ary to use exact values of these parameters for a determined molecular interaction model. Because the results of computer simulation may be considered 'exact' for a determined intermolecular potential, it makes an excellent tool for investigating this connection. The purpose of t he present work is to propose a procedure for determining interaction parameters for fluids by forcing agreement between the values of press ure obtained from empirical Equations of state in phase space regions where we are sure they are most exact and those obtained from computer simulation.