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Experimental estimation of molecular structure of the water-rock interface under high-temperature and high-pressure conditions revealed by in situ IR and Raman spectroscopy

机译:用原位红外和拉曼光谱揭示高温高压条件下水-岩界面分子结构的实验估计

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In order to investigate effects of molecular behavior of interfacial water on a rock surface at high temperature and pressure conditions, a high temperature-pressure cell was developed to measure infrared (IR)and Raman spectra. As a result of IR spectroscopic measurements, a continuous shift of the OH vibration mode was obtained from ambient to hydrothermal conditions. Compared with the result of IR properties of water on a metal, IR properties of water on a quartz surface exhibit different trends: the peak position shifted to higher wavenmber with increasing temperature and slightly shifted with pressure. The IR property of water was changed by environmental conditions such as temperature, pressure and substrate. We considered a possible structure of water molecules on a quartz surface. Interfacial water molecules interacted via hydrogen bonding with surface silanol molecules of quartz. This water-quartz interaction might influence water structuring on the quartz surface.
机译:为了研究高温高压条件下界面水分子行为对岩石表面的影响,开发了一种高温高压池来测量红外光谱和拉曼光谱。作为红外光谱测量的结果,获得了从环境到水热条件的OH振动模式的连续变化。与水在金属上的红外特性相比,石英表面上的水的红外特性呈现出不同的趋势:随着温度的升高,峰的位置向更高的波峰移动,而随着压力的升高,其峰向移动。水的红外特性受环境条件(例如温度,压力和基材)的影响而改变。我们考虑了石英表面上水分子的可能结构。界面水分子通过氢键与石英的表面硅烷醇分子相互作用。这种水-石英相互作用可能会影响石英表面的水结构。

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