Computer simulations using Monte Carlo methods are used to investigate the effects of interparticle correlations on small-angle X-ray and neutron scattering from moderate or highly concentrated systems of ellipsoids of revolution. Both oblate and prolate ellipsoids, of varying eccentricities and concentrations, are considered. The advantage with Monte Carlo simulation is that completely general models, both regarding particle shapes and interaction potentials, can be considered. Equations are also given that relate the nonideal part of the chemical potential, βμni, with the scattering at zero angle,I(0), and the compressibility factor,z. The quantity βμnican be obtained during the Monte Carlo simulations by using Widom's test-particle method. For spherical particles, the simulations are compared with approximation formulas based on the Percus–Yevick equation. A method is also suggested for the calculation of both βμniandzfrom experimental values ofI(0) recorded as a function of concentration.
Application of the monte carlo test particle method to calсulate transport coefficiens in diluted gases
