Precise simulation of near-critical fluid coexistence.
We present a novel method to derive liquid-gas coexisting densities, rho(+/-)(T), from grand canonical simulations (without knowledge of T(c) or criticality class). The minima of Q(L) identical with <m(2)>(2)(L)/<m(4)>(L) in an LxLxL box with m=rho-<rho>(L) are used to generate recursively an unbiased universal finite-size scaling function. Monte Carlo data for a hard-core square-well fluid and for the restricted primitive model electrolyte yield rho(+/-) to +/-1%-2% of rho(c) down to 1 part in 10(4)-10(3) of T(c) (and confirm well Ising character). Pressure mixing in the scaling fields is unequivocally revealed and indicates Yang-Yang ratios R(mu)=-0.04(4) and 0.2(6) for the two models, respectively.
Kim
Young C
YC
Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.
Fisher
Michael E
ME
Luijten
Erik
E