Influence of HCO₃^- ion on Structure and Transport Properties of Seawater

抄録

The structure, transport coefficients, and thermal properties of the sodium chloride (NaCl) aqueous solution in similar concentration to the seawater, where the bicarbonate (HCO₃^-) anion is dissolved to the saturated concentration, has been investigated by molecular dynamics simulation (MD). The effects of pressure have been investigated to the corresponding pressure to the 12000m in depth. The negative pressure dependence of the thermal conductivity has been detected in the depth of more than 8000m. The shear viscosity has also been obtained using the Green-Kubo formula.