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

被引：362

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

页码：1102 / 1104

页数：3

共 28 条

[21]

NEWMAN ACD, 1987, CHEM CLAYS CLAY SURF, P255

[22]

NORRISH R, 1954, DISCUSS FARADAY SOC, V18, P120

[23] MONTE-CARLO CALCULATIONS IN ISOTHERMAL-ISOBARIC ENSEMBLE .1. LIQUID WATER [J].

OWICKI, JC ;

SCHERAGA, HA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (23) :7403-7412

[24] CHANGES IN BASAL SPACING OF MONTMORILLONITE IN ELECTROLYTE SOLUTIONS [J].

POSNER, AM ;

QUIRK, JP .

JOURNAL OF COLLOID SCIENCE, 1964, 19 (09) :798-&

[25] FLUIDS IN MICROPORES .1. STRUCTURE OF A SIMPLE CLASSICAL FLUID IN A SLIT-PORE [J].

SCHOEN, M ;

DIESTLER, DJ ;

CUSHMAN, JH .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (09) :5464-5476

[26] COMPUTER-SIMULATION OF INTERLAYER WATER IN 2-1 CLAYS [J].

SKIPPER, NT ;

REFSON, K ;

MCCONNELL, JDC .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11) :7434-7445

[27] CRYSTALLINE SWELLING OF SMECTITE SAMPLES IN CONCENTRATED NACL SOLUTIONS IN RELATION TO LAYER CHARGE [J].

SLADE, PG ;

QUIRK, JP ;

NORRISH, K .

CLAYS AND CLAY MINERALS, 1991, 39 (03) :234-238

[28] SORPTION OF WATER-VAPOR BY NA-MONTMORILLONITE, LI-MONTMORILLONITE, LA-MONTMORILLONITE [J].

TRILLO, JM ;

POYATO, J ;

TOBIAS, MM ;

CASTRO, MA .

CLAY MINERALS, 1990, 25 (04) :485-498

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