Derivation of The New Type of Mean Density Approximation (NTMDA) Using Molecular Dynamics Method

분자동력학법(Molecular Dynamics)을 이용한 새로운 평균밀도근사법(NTMDA)의 유도

The approximation of the radial distribution functions(RDF) of mixture plays an important role in deriving the mixing rules for the corresponding states principle(CSP). The mean density approximation(MDA), one of the most successful approximations, fails to predict the radial distribution functions when the size ratio in terms of the Lennard-Jones size parameters is greater than 1.5. To get a better prediction of important structural integrals over the radial distribution functions that arise in the asymmetrical attraction contribution of the perturbaton theory, the new type of mean density approximation(NTMDA) is proposed. With this NTMDA, quite reliable results for those integrals for systems with comparatively large ratio of the size parameters are obtained.