title: Three-body interactions in complex fluids: virial coefficients from simulation finite-size effects.
abstract: A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on a new approach for determining virial coefficients from the measured volume-dependent asymptote of a certain structural function. By comparing the third virial coefficient B3 for a complex fluid with that of an approximate coarse-grained model described by a pair potential, three body effects can be quantified. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymers and in highly size-asymmetrical colloid-polymer mixtures.
authors.affiliation: Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom.
authors.forename: Douglas J
authors.initials: DJ
authors.lastname: Ashton
authors.affiliation: Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom.
authors.forename: Nigel B
authors.initials: NB
authors.lastname: Wilding