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地幔中的富水流体以其独特的物理和化学性质影响着一系列地球化学和地球动力学过程.受制于实验数据的缺乏,人们对地幔中富水流体及其与周围岩石、熔体相互作用的认识仍然非常不足.从热力学平衡计算的角度,富水流体体系的状态方程是推进本领域建模工作的关键.目前能用于地幔温压条件、被公认具有较好准确性和预测性的富水流体高压状态方程并不多见.本文对若干代表性方程进行了介绍与评述,并通过分析指出提高状态方程外延能力的主要途径:借助于高质量分子模拟数据,采用理论基础更好的方程形式,优化方程的拟合过程与参数求取方法等.根据典型富水流体体系的高压实验数据分布现状,含离子成分的水溶液体系是本领域研究的重点与难点,而当前实验与理论模拟工作正取得的重要突破将极大地促进相关研究的进展.
Due to its unique physical and chemical properties, the water-rich fluid in the mantle affects a series of geochemical and geodynamic processes. Due to the lack of experimental data, people interact with water-rich fluids in the mantle and with the surrounding rocks and melts The understanding is still not enough.From the perspective of thermodynamic equilibrium calculation, the equation of state of a water-rich fluid system is the key to advancing the modeling work in this field.Currently it can be used in the conditions of mantle temperature and pressure and is generally recognized as having a better accuracy and predictability The equation of state for the high pressure of water fluid is rare.A number of representative equations are introduced and reviewed in this paper, and the main ways to improve the extension of the equation of state are pointed out: by means of high-quality molecular simulation data and better theoretical basis Form, the fitting process of the optimization equation and the method of parameter calculation, etc. According to the present situation of high pressure experimental data distribution of typical water-rich fluid system, the aqueous solution system containing ionic components is the key and difficult point in this field, and the current experimental and theoretical simulation The major breakthroughs being made will greatly facilitate the progress of related research.