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首页> 外文期刊>The Journal of Chemical Physics >Thermodynamic and dynamic anomalies in a one-dimensional lattice model of liquid water
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Thermodynamic and dynamic anomalies in a one-dimensional lattice model of liquid water

机译:一维液态水晶格模型中的热力学和动态异常

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摘要

We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and thermodynamic response functions are found. When the hydrogen bond (molecules separated by holes) is more attractive than the van der Waals interaction (molecules in contact) a transition between two fluid structures is found at null temperature and high pressure. This transition is analogous to a 'critical point' and intimately connects the anomalies in density and in thermodynamic response functions. Monte Carlo simulations were performed in the neighborhood of this transition and used to calculate the self diffusion constant, which increases with density as in liquid water.
机译:我们调查在一维晶格气体模型中水样热力学和动态异常行为的发生。使用传递矩阵技术获得系统热力学,发现密度和热力学响应函数异常。当氢键(被空穴隔开的分子)比范德华相互作用(接触的分子)更具吸引力时,在零温度和高压下会发现两个流体结构之间的过渡。这种转变类似于“临界点”,并且在密度和热力学响应函数方面紧密地联系了异常。在此过渡附近进行了蒙特卡洛模拟,并用于计算自扩散常数,该自扩散常数随液体水中的密度而增加。

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