The swelling of clays: Molecular simulations of the hydration of montmorillonite

被引：354
|
作者：
Karaborni, S [1 ]
Smit, B [1 ]
Heidug, W [1 ]
Urai, J [1 ]
vanOort, E [1 ]
机构：
[1] KONINKLIJKE SHELL EXPTL PROD LAB,2280 AB RIJSWIJK,NETHERLANDS
来源：
SCIENCE | 1996年 / 271卷 / 5252期
关键词：
D O I：
10.1126/science.271.5252.1102
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
The swelling of clay minerals on contact with an aqueous solution can produce strong adverse effects in the exploration and production of gas and oil. Molecular dynamics and Monte Carlo simulations were used to study the mechanism of swelling of sodium-montmorillonite. The simulations showed that the abundant clay mineral has four stable states at basal spacings of 9.7, 12.0, 15.5, and 18.3 angstroms, respectively. The amount of swelling and the locations of the stable states of sodium-montmorillonite are in good quantitative agreement with the experimental data.
引用
收藏
页码：1102 / 1104
页数：3
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