Molecular dynamics simulation of diffusivity

doi:10.1007/s11708-008-0039-9

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Front. Energy ›› 2008, Vol. 2 ›› Issue (3) : 359-362. DOI: 10.1007/s11708-008-0039-9

Molecular dynamics simulation of diffusivity

LIU Juanfang, ZENG Danling, LI Qin, GAO Hong

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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 addit

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LIU Juanfang, ZENG Danling, LI Qin, GAO Hong. Molecular dynamics simulation of diffusivity. Front. Energy, 2008, 2(3): 359‒362 https://doi.org/10.1007/s11708-008-0039-9

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