[1] Savage, P. E., “Organic chemical reactions in supercritical water”, Chem. Rev., 99,
603 (1999).
[2] Saito, S., “Research activities on supercritical fluid science and technology in Japan
－A review”, J. Supercrit. Fluids, 8, 177 (1995).
[3] Cummings, P. T., Cochran, H. D., Simmonson, J. M., Mes mer, R. E., “Simulation of
supercritical water and supercrit ical aqueous solutions”, J. Chem. Phys., 94, 5606 (1991).
[4] Guissani, Y., Guillot, B., “Computer simulation study of the liquid-vapor coexistence
curve of water”, J. Chem. Phys., 98, 8221 (1993).
[5] Linse, P., “Molecular dynamics simulation of a dilute aque ous solution of benzene”,
J. Am. Chem. Soc., 112, 1744 (1990).
[6] Gao, J., “Supercritical hydration of organic compounds”, J. Am. Chem. Soc., 115, 6893
(1993).
[7] Berendsen, H. J. C., Grigera, J. R., Straatsma, T. P., “The missing term in effective
pair potentials”, J. Phys. Chem., 91, 6269 (1987).
[8] Allen, M. P., Tildesley, D. J., Computer Simulation of Liq uids, Clarendon Press, Oxford
(1987).
[9] Neumann, M., “Dipole moment fluctuation formulas in computer simulations of polar
systems”, Mol. Phys., 50, 841 (1983).
[10] Luo, H., Hoheisel, C., “Computation of transport coeffi cients of liquid benzene and
cyclohexane using regid multi center pair interactions”, J. Chem. Phys., 96, 3173 (1992).
[11] Gear, C. W., Numerical Integration of Ordinary Differen tial Equations, Prentice-Hall
Englewood Cliffs, New Jersey (1971).
[12] Evans, D. J., “On the representation of orientation space”, Mol. Phys., 34, 317
(1977).
[13] Gustafson, K. E., Dickhut, R. M., “Molecular diffusivity of polycyclic aromatic
hydrocarbons in aqueous solution”, J. Chem. Eng. Data., 39, 281 (1994).
[14] Krynicki, K., Green, C. D., Sawyer, D. W., “Pressure and temperature dependence of
self-diffusion in water”, Faraday Discuss. Chem. Soc., 66, 199 (1978). |
京公网安备 11010102001995号
