蒙脱石
水合硅酸钙
材料科学
水泥
范德瓦尔斯力
表面能
水合物
复合材料
分子动力学
抗压强度
硅酸盐
分子
化学工程
化学
有机化学
计算化学
工程类
作者
Jinyu Ge,Fei Xu,Wei Hua,Qiang Wang,Peng Hu,Zhou Juan,Huaisen Li
出处
期刊:Materials
[Multidisciplinary Digital Publishing Institute]
日期:2023-11-13
卷期号:16 (22): 7141-7141
被引量:8
摘要
To elucidate the impact mechanism of the interfacial characteristics of Calcium Silicate Hydrate gel (CSH)-Montmorillonite (MMT) at the nanoscale on the strength of cement-stabilized montmorillonite soil, this paper begins by examining the interfacial energy. Through Molecular Dynamics (MD) simulation methods, the energy at the MMT and CSH binding interface is quantitatively calculated, and the correlation between the interfacial energy and macroscopic strength is determined in conjunction with grey relational analysis. Finally, based on the characterization results from X-ray diffraction (XRD), the accuracy and sources of deviation in the MD simulation results are discussed. The study shows the CSH-MMT interfacial energy is composed of van der Waals forces, hydrogen bond energy, and electrostatic interactions, which are influenced by the migration of cations; there is a good consistency between the CSH-MMT interfacial energy and the unconfined compressive strength (UCS) of cement-stabilized soil (cemented soil), with the interfacial energy decreasing as the number of water molecules increases and first decreasing then increasing as the number of MMT layers grows; by adjusting the mix proportions, the magnitude of the CSH-MMT interfacial energy can be altered, thereby optimizing the strength of the cemented soil.
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