Abstract

Molecular dynamics simulation has been performed to determine theinfinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusioncoefficients of NaCl in supercritical water from 703.2-763.2 K and30-45 MPa. The results obtained show that the diffusion coefficients insupercritical water increase with temperature, while decreasing withpressure. Nevertheless, the diffusion coefficients in supercritical waterare much larger than those in normal water.

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