论文标题
在极端条件下氢气中流体多态性的热力学建模
Thermodynamic Modeling of Fluid Polyamorphism in Hydrogen at Extreme Conditions
论文作者
论文摘要
流体多态性是单个组分系统中多种无定形流体态的存在，已在多种物质中观察到或预测。这种现象的一个了不起的例子是在绝缘和传导高密度流体之间高压氢中的流体流体相变。这种过渡是由氢分子和原子态的可逆二聚/解离引起的。在这项工作中，我们提出了在极端条件下热力学对流体流体相变模型的首次尝试。我们对相共存的预测和两种替代形式的流体氢的反应平衡是基于实验数据，并得到了模拟结果的支持。 {值得注意的是，我们发现相应状态的定律可用于构建一个统一的状态方程，该方程组合了不同模型的氢和实验数据的可用计算结果。
Fluid polyamorphism, the existence of multiple amorphous fluid states in a single-component system, has been observed or predicted in a variety of substances. A remarkable example of this phenomenon is the fluid-fluid phase transition in high-pressure hydrogen between insulating and conducting high-density fluids. This transition is induced by the reversible dimerization/dissociation of the molecular and atomistic states of hydrogen. In this work, we present the first attempt to thermodynamically model the fluid-fluid phase transition in hydrogen at extreme conditions. Our predictions for the phase coexistence and the reaction equilibrium of the two alternative forms of fluid hydrogen are based on experimental data and supported by the results of simulations. {Remarkably, we find that the law of corresponding states can be utilized to construct a unified equation of state combining the available computational results for different models of hydrogen and the experimental data.
