Abstract
In this article we analyze the introduction of quantum effects in the modeling of a quantum fluid formed by hard spheres with an off-center square-well attractive site, a quantum associating hard-spheres (QAHS) system. Semiclassical Monte Carlo simulations for the QAHS fluid were performed in order to study the variation of the fraction of free monomers with the thermal de Broglie wavelength λB = h/(2πmkT)1/2, where T is the temperature, h and k are the Planck’s and Boltzmann’s constants, respectively, and m is the hard-spheres mass. We present a quantum extension of the Wertheim model by considering the effect of the quantum nature of the system using the Slater sum for quantum hard spheres. Excellent agreement is found between theory and simulation results for the case of a bulk fluid.
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