A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Temperature Effects on the Thickness of the Diffused Double Layer Using Molecular Dynamics
The aim of this study is to identify thermally induced changes in the diffused double layer thickness around clay particles. The temperature dependency of the diffuse double-layer thickness has been questionable over the past decades. The modified Boltzmann equation suggests that the thickness of the diffused double layer is proportional to the square root of temperature. However, other contradicting arguments exist in the literature. Molecular dynamics (MD) is used to simulate temperature effects on the thickness of the diffused double layer surrounding kaolinite clay particles. The MD simulation considers a 3D clay specimen using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Silicon tetrahedron and aluminum octahedron sheets are built, and simulations under different temperatures ranging from 273 K (about 0°C) to 313 K (about 40°C) are performed. The results show that temperature changes have a significant impact on the energies of the system, which implies considerable changes in diffused double layer thickness around kaolinite clay particles.
Temperature Effects on the Thickness of the Diffused Double Layer Using Molecular Dynamics
The aim of this study is to identify thermally induced changes in the diffused double layer thickness around clay particles. The temperature dependency of the diffuse double-layer thickness has been questionable over the past decades. The modified Boltzmann equation suggests that the thickness of the diffused double layer is proportional to the square root of temperature. However, other contradicting arguments exist in the literature. Molecular dynamics (MD) is used to simulate temperature effects on the thickness of the diffused double layer surrounding kaolinite clay particles. The MD simulation considers a 3D clay specimen using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Silicon tetrahedron and aluminum octahedron sheets are built, and simulations under different temperatures ranging from 273 K (about 0°C) to 313 K (about 40°C) are performed. The results show that temperature changes have a significant impact on the energies of the system, which implies considerable changes in diffused double layer thickness around kaolinite clay particles.
Temperature Effects on the Thickness of the Diffused Double Layer Using Molecular Dynamics
Wei, Shijun (author) / Abdelaziz, Sherif L. (author)
Geo-Congress 2022 ; 2022 ; Charlotte, North Carolina
Geo-Congress 2022 ; 628-637
2022-03-17
Conference paper
Electronic Resource
English
Temperature Effects on the Thickness of the Diffused Double Layer Using Molecular Dynamics
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