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Liquid-vapor phase diagram and cluster formation of two-dimensional ionic fluids

机译:二维离子液体的汽相图和团簇形成

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Direct molecular dynamics simulations on interfaces at constant temperature are performed to obtain the liquid-vapor phase diagram of the two-dimensional soft primitive model, an equimolar mixture of equal size spheres carrying opposite charges. Constant temperature and pressure simulations are also carried out to check consistency with interface simulations results. In addition, an analysis of the cluster formation of mixtures of particles with charge asymmetry in the range 1:1 to 1:36 at low and high densities is performed. The number of free ions, when plotted as a function of the positive ion charge, Z _+, has an oscillatory behavior and is independent of the density. The formation of aggregates is analyzed in terms of the attraction and repulsion between ions.
机译:在恒定温度下对界面进行直接的分子动力学模拟,以获得二维软原始模型的液相汽相图,该二维软原始模型是等大小球体带有相反电荷的等摩尔混合物。还进行了恒定温度和压力模拟,以检查与界面模拟结果的一致性。另外,分析了在低密度和高密度下电荷不对称性在1:1至1:36范围内的颗粒混合物的簇形成。当绘制自由离子的数量作为正离子电荷Z ++的函数时,它具有振荡行为,并且与密度无关。根据离子之间的吸引和排斥来分析聚集体的形成。

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