Molecular dynamics simulation has been performed to determine the infinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusion coefficients of NaCl in supercritical water from 703.2-763.2 K and 3...Molecular dynamics simulation has been performed to determine the infinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusion coefficients of NaCl in supercritical water from 703.2-763.2 K and 30-45 MPa. The results obtained show that the diffusion coefficients in supercritical water increase with temperature, while decrease with pressure. Nevertheless, the diffusion coefficients in supercritical water are much larger than those in normal water.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No.29736170the Fundamental Research Foundation of Tsinghua University(No.JC1999038)and the Graduate School of Tsinghua University.
文摘Molecular dynamics simulation has been performed to determine the infinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusion coefficients of NaCl in supercritical water from 703.2-763.2 K and 30-45 MPa. The results obtained show that the diffusion coefficients in supercritical water increase with temperature, while decrease with pressure. Nevertheless, the diffusion coefficients in supercritical water are much larger than those in normal water.
