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Frontiers in Energy >> 2008, Volume 2, Issue 3 doi: 10.1007/s11708-008-0039-9

Molecular dynamics simulation of diffusivity

Power Engineering Department, Chongqing University;

Available online: 2008-09-05

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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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