作者: S. V. Savenko , Marjolein Dijkstra
DOI: 10.1063/1.2202853
关键词:
摘要: We study the phase behavior of a mixture colloidal hard rods with length-to-diameter ratio L∕σc=5 and nonadsorbing ideal polymer. map our binary onto an effective one-component system by integrating out degrees freedom polymer coils. derive formal expression for exact Hamiltonian rods, i.e., it includes all many-body interactions is related to free volume available determine numerically on grid coils “on fly” each rod configuration during Monte Carlo simulations. This allows us go beyond first-order perturbation theory, which employs pure hard-rod as reference state. perform energy calculations isotropic, nematic, smectic, crystal using thermodynamic integration common tangent constructions are used at fixed fugacities diagram. The is...