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Rosenfeld functional for non-additive hard spheres M. Schmidt, J. Phys.: Condens. Matt. 16, L351 (2004). Locate in [bare] [illustrated] list. Get [full paper] as pdf. Abstract. The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase separation into phases with different chemical compositions. The location of the accompanying critical point agrees well with previous results from simulations over a broad range of non-additivities and both for symmetric and highly asymmetric size ratios. Results for partial pair correlation functions show good agreement with simulation data. [figures] Read the [full paper] as pdf. |