Molecular Simulation Study of Montmorillonite in Contact with Water
نویسندگان
چکیده
منابع مشابه
Adsorption isotherms of water in Li–, Na–, and K–montmorillonite by molecular simulation
A biased Monte Carlo method for the insertion of water in dense clay–water systems is presented. The use of this algorithm results in a considerable increase of the success rate of insertion attempts. It allows us to compute water adsorption isotherms up to high water densities, where the conventional Monte Carlo scheme fails. The isotherms were calculated by a combination of molecular dynamics...
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A molecular dynamics simulation of a water droplet in contact with a platinum surface
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ژورنال
عنوان ژورنال: Industrial & Engineering Chemistry Research
سال: 2019
ISSN: 0888-5885,1520-5045
DOI: 10.1021/acs.iecr.8b05125