The effect of inorganic salt on the mechanical properties of montmorillonite and its mechanism: A molecular dynamics study

被引：18

作者：

Han, Zongfang ^{[1
]}

Cui, Yang ^{[3
]}

Meng, Qi ^{[2
]}

He, Manchao ^{[1
]}

Yan, Xiaohui ^{[2
]}

机构：

[1] China Univ Min & Technol Beijing, State Key Lab Geomech & Deep Underground Engn, Beijing 100083, Peoples R China

[2] China Univ Min & Technol Beijing, Sch Chem & Environm Engn, Beijing 100083, Peoples R China

[3] China Construct Second Engn Bur, Construct Engn Co LTD 3, Beijing 100070, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2021年 / 781卷

关键词：

Na-montmorillonite; Inorganic salts; Microstructure; Mechanical properties; Molecular dynamics; THERMOMECHANICAL PROPERTIES; VARIATIONAL APPROACH; ELASTIC PROPERTIES; CLAY; SIMULATIONS; TEMPERATURE; BEHAVIOUR; PRESSURE;

D O I：

10.1016/j.cplett.2021.138982

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In order to explore the mechanical properties of clay minerals in inorganic salt solution, the macroscopic elastic modulus of Na - montmorillonite and its elastic modulus in different concentrations of inorganic salt solution were calculated by molecular dynamics simulation and Voigt - Reuss - Hill approximate calculation, and the mechanism of inorganic salt inhibiting the hydration of montmorillonite was analyzed. The results show that low concentration of NaCl has the best effect on improving the elastic modulus of montmorillonite. The inhibitory effect on the hydration of montmorillonite is CaCl2 > NaCl > KCl > MgCl2.

引用

页数：7

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