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Molecular dynamics simulation of diffusivity

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Abstract

Equilibrium molecular dynamics simulation was performed on water to calculate its diffusivity by adopting different potential models. The results show that the potential models have great influence on the simulated results. In addition, the diffusivities obtained by the SPCE model conform well to the experimental values.

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Authors and Affiliations

  1. Power Engineering Department, Chongqing University, Chongqing, 400044, China

    Juanfang Liu, Danling Zeng, Qin Li & Hong Gao

Authors
  1. Juanfang Liu
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  2. Danling Zeng
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  3. Qin Li
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  4. Hong Gao
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Corresponding author

Correspondence to Juanfang Liu.

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Translated from Journal of Engineering Thermophysics, 2006, 27(3): 373–375 [译自: 工程热物理学报]

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Liu, J., Zeng, D., Li, Q. et al. Molecular dynamics simulation of diffusivity. Front. Energy Power Eng. China 2, 359–362 (2008). https://doi.org/10.1007/s11708-008-0039-9

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  • DOI: https://doi.org/10.1007/s11708-008-0039-9

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