Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation
Montmorillonite (MMT) is highly sensitive to environmental changes and therefore plays a key role in the structural evolution of rocks and soils and even damage and disasters. The effects of important environmental factors (the temperature and water content) on MMT structural properties require in-d...
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| Format: | Article |
| Language: | English |
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Wiley
2020-01-01
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| Series: | Advances in Civil Engineering |
| Online Access: | http://dx.doi.org/10.1155/2020/8885215 |
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| author | Wangbing Hong Jie Meng Changdong Li Shengyi Yan Xin He Guobin Fu |
| author_facet | Wangbing Hong Jie Meng Changdong Li Shengyi Yan Xin He Guobin Fu |
| author_sort | Wangbing Hong |
| collection | DOAJ |
| description | Montmorillonite (MMT) is highly sensitive to environmental changes and therefore plays a key role in the structural evolution of rocks and soils and even damage and disasters. The effects of important environmental factors (the temperature and water content) on MMT structural properties require in-depth study. The structure and morphology of sodium montmorillonite (Na-MMT) and its thermal products (micro-nanoparticles) were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM). A molecular dynamics (MD) simulation was performed to investigate how temperature (below the failure temperature of the Na-MMT crystal layer) affects the structural properties of hydrated MMT. (1) The laboratory results showed that increasing the temperature significantly affected water molecules, and the particle aggregates exhibited inhomogeneous thermal expansion. The interlayer structure collapsed at 500–700°C. (2) In the simulation, the pull-off force inhibited interactions among oxides, crystal layers on both sides of the sample, and the bonding structure of water molecules, thus exposing the stress on the bonding body for analysis. The MMT ultimate stresses in the X, Y, and Z directions all trended downward with increasing water content and temperature. (3) Environmentally induced damage was most likely to occur in the Z direction. Increasing the number of interlayer water molecules increased the layer spacing and considerably weakened van der Waals forces, such that the roles of the electrostatic force and the interlayer hydrogen bond network gradually became significant. The most significant impact of increasing the temperature was reflected in the hydrogen bonding network, resulting in the destruction of the interlayer water bridge, the gradual failure of the layered bonding structure, and the formation or development of cracks. This improved understanding of the structural properties of MMT aggregates under environmental change advances research on the evolutionary behaviour of nano-, micro-, and macrostructures of rocks and soils. |
| format | Article |
| id | doaj-art-dca473e1dba94ff2b450ad957501d7d1 |
| institution | OA Journals |
| issn | 1687-8086 1687-8094 |
| language | English |
| publishDate | 2020-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Civil Engineering |
| spelling | doaj-art-dca473e1dba94ff2b450ad957501d7d12025-08-20T02:21:35ZengWileyAdvances in Civil Engineering1687-80861687-80942020-01-01202010.1155/2020/88852158885215Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics SimulationWangbing Hong0Jie Meng1Changdong Li2Shengyi Yan3Xin He4Guobin Fu5Zhejiang Huadong Construction Engineering Co., Ltd., Hangzhou 310000, ChinaFaculty of Engineering, China University of Geosciences, Wuhan 430074, ChinaFaculty of Engineering, China University of Geosciences, Wuhan 430074, ChinaFaculty of Engineering, China University of Geosciences, Wuhan 430074, ChinaFaculty of Engineering, China University of Geosciences, Wuhan 430074, ChinaZhejiang Huadong Construction Engineering Co., Ltd., Hangzhou 310000, ChinaMontmorillonite (MMT) is highly sensitive to environmental changes and therefore plays a key role in the structural evolution of rocks and soils and even damage and disasters. The effects of important environmental factors (the temperature and water content) on MMT structural properties require in-depth study. The structure and morphology of sodium montmorillonite (Na-MMT) and its thermal products (micro-nanoparticles) were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM). A molecular dynamics (MD) simulation was performed to investigate how temperature (below the failure temperature of the Na-MMT crystal layer) affects the structural properties of hydrated MMT. (1) The laboratory results showed that increasing the temperature significantly affected water molecules, and the particle aggregates exhibited inhomogeneous thermal expansion. The interlayer structure collapsed at 500–700°C. (2) In the simulation, the pull-off force inhibited interactions among oxides, crystal layers on both sides of the sample, and the bonding structure of water molecules, thus exposing the stress on the bonding body for analysis. The MMT ultimate stresses in the X, Y, and Z directions all trended downward with increasing water content and temperature. (3) Environmentally induced damage was most likely to occur in the Z direction. Increasing the number of interlayer water molecules increased the layer spacing and considerably weakened van der Waals forces, such that the roles of the electrostatic force and the interlayer hydrogen bond network gradually became significant. The most significant impact of increasing the temperature was reflected in the hydrogen bonding network, resulting in the destruction of the interlayer water bridge, the gradual failure of the layered bonding structure, and the formation or development of cracks. This improved understanding of the structural properties of MMT aggregates under environmental change advances research on the evolutionary behaviour of nano-, micro-, and macrostructures of rocks and soils.http://dx.doi.org/10.1155/2020/8885215 |
| spellingShingle | Wangbing Hong Jie Meng Changdong Li Shengyi Yan Xin He Guobin Fu Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation Advances in Civil Engineering |
| title | Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation |
| title_full | Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation |
| title_fullStr | Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation |
| title_full_unstemmed | Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation |
| title_short | Effects of Temperature on Structural Properties of Hydrated Montmorillonite: Experimental Study and Molecular Dynamics Simulation |
| title_sort | effects of temperature on structural properties of hydrated montmorillonite experimental study and molecular dynamics simulation |
| url | http://dx.doi.org/10.1155/2020/8885215 |
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