Title | MICROSCOPIC THEORY OF SOLVATION DYNAMICS IN DIPOLAR LIQUIDS |
Publication Type | Journal Article |
Year of Publication | 1993 |
Authors | Chandra, A, Wei, DQ, Patey, GN |
Journal | Journal of Chemical Physics |
Volume | 99 |
Pagination | 4926-4931 |
Date Published | Oct |
Type of Article | Article |
ISBN Number | 0021-9606 |
Keywords | COMPUTER-SIMULATION, DIELECTRIC-CONSTANT, ELECTROSTATIC SYSTEMS, FLUID, ION SOLVATION, MOLECULAR LIQUIDS, PERIODIC BOUNDARY-CONDITIONS, relaxation, SOLVENT |
Abstract | A self contained microscopic theory is described for ion solvation dynamics in dipolar fluids. The theory takes account of inertial and non-Markovian effects which are of critical importance for the fast initial phase of the relaxation of the ion-solvent energy. The theory also includes diffusional effects important at long times. The results obtained are shown to be in good agreement with recent computer simulation studies of ions in Stockmayer solvents. |
URL | <Go to ISI>://A1993LY60300004 |
