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  • Title: Monte Carlo simulation of vapor-liquid equilibrium and critical asymmetry of square-well dimer fluid.
    Author: Li L, Tang K, Wu L, Zhao W, Cai J.
    Journal: J Chem Phys; 2012 Jun 07; 136(21):214508. PubMed ID: 22697559.
    Abstract:
    The critical behavior of square-well dimer fluid has been investigated using grand canonical ensemble Monte Carlo simulations combined with a histogram reweighting technique, hyper-parallel tempering and finite-size scaling. The critical temperature and density obtained are T(c)*=1.5495±0.0009 and ρ(c)*=0.1473±0.0007, which are 2.5% lower and 5.2% higher than previous results. Coexistence curves both near to and far from the critical point were obtained. The vapor-liquid equilibrium data far from the critical point are consistent with previous results. Simulation results show that the contribution of |t|(1-α) to the coexistence diameter of square-well dimer fluid dominates the critical behavior and the contribution of |t|(2β) is larger than for a hard-core square-well fluid.
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