Molecular-dynamics study of structural and transport properties of fluid under nanoconfinement

Weixiang Ben; Yuxuan Sun

doi:10.1117/12.2635365

25 April 2022 Molecular-dynamics study of structural and transport properties of fluid under nanoconfinement

Weixiang Ben, Yuxuan Sun

Proceedings Volume 12244, 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022); 1224429 (2022) https://doi.org/10.1117/12.2635365
Event: 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022), 2022, Guilin, China

Abstract

Nano-confined fluids have many unique features different from bulk properties, which have attracted a lot of attention. In the existing contemporary papers, the research on the mass transport properties of nano confined water has produced different results. Based on Molecular-dynamics(MD) simulation and from the perspective of central limit theorem, this paper discusses the methods to reduce the statistical uncertainty of MD. Based on the Einstein relationship, it is found that the mass diffusivity of fluid under nanoconfinement increases monotonically.

Citation Download Citation

Weixiang Ben and Yuxuan Sun "Molecular-dynamics study of structural and transport properties of fluid under nanoconfinement", Proc. SPIE 12244, 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022), 1224429 (25 April 2022); https://doi.org/10.1117/12.2635365

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