Adsorption of vapor at a solid interface: a molecular model of clay wetting
Adsorption of vapor at a solid interface: a molecular model of clay wetting
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固体界面处蒸汽的吸附：粘土润湿的分子模型
DOI：
10.1021/j100125a028
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发表时间：
1993
期刊：
影响因子：
--
通讯作者：
S. Sokołowski
中科院分区：
文献类型：
--
作者：
A. Delville;S. Sokołowski
粘土-水界面的分子描述被用来模拟水在固体表面的吸附。采用蒙特卡罗模拟方法，用大正则系综和等压-等温系综描述了吸附在粘土表面的液态水分子膜的组织。这种处理可以预测矿物表面的润湿性，作为其电荷密度和其不同原子成分的化学性质的函数
A molecular description of the clay-water interface is used to simulate the adsorption of water on a solid surface. Grand canonical ensemble and isobaric-isothermal ensemble Monte Carlo simulations are used to describe the organization of the film of liquid water molecules adsorbed on a clay surface. This treatment allows predictions of the wettability of the mineral surface as a function of its charge density and the chemical nature of its different atomic components