钾蒙脱石水合物稳定性的混合MC模拟
Stability of K-montmorillonite hydrates: Hybrid MC simulations
摘要：
采用混合蒙特卡罗模拟对钾蒙脱石水合物进行了NPzzT和MuPzzT模拟。研究了两个条件集，P=1大气压和T= 300 K（地面条件），P=600大气压和T= 394 K;这最后一个条件模拟的埋深接近4公里。在这些条件下，建立了膨胀曲线作为储层水蒸气压力的函数。我们发现，单层钾蒙脱石水合物稳定的高蒸汽压，埋藏和地面水平的条件。给出了这种高稳定性的简单解释。
英文摘要：
NPzzT and MuPzzT simulations of K-montmorillonite hydrates were performed employing hybrid Monte Carlo simulations. Two condition sets were studied, P=1 atm and T= 300 K (ground level conditions), and P=600 atm and T= 394 K; this last condition mimics a burial depth close to 4 km. For these conditions, swelling curves as a function of the reservoir water vapor pressure were built. We found the single layer K-montmorillonite hydrate stable for high vapor pressures for both, burial and ground level conditions. A simple explanation for this high stability is given.
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