Research & Teaching Faculty

DIELECTRIC-RELAXATION OF DIPOLAR LIQUIDS

TitleDIELECTRIC-RELAXATION OF DIPOLAR LIQUIDS
Publication TypeJournal Article
Year of Publication1993
AuthorsChandra, A, Wei, DQ, Patey, GN
JournalJournal of Chemical Physics
Volume99
Pagination2068-2073
Date PublishedAug
Type of ArticleArticle
ISBN Number0021-9606
KeywordsCOMPUTER-SIMULATION, electrostatic, equation, INVARIANT EXPANSION, ION SOLVATION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR LIQUIDS, ORNSTEIN-ZERNIKE, PERIODIC BOUNDARY-CONDITIONS, POLAR, SOLVATION DYNAMICS, SYSTEMS
Abstract

An approximate expression is derived for the dielectric function epsilon(k, omega). The theory includes inertial and non-Markovian effects and is free of adjustable parameters. For the k = 0 case, detailed comparisons are made with computer simulation results for dipolar soft-sphere and Stockmayer fluids, and the theory is shown to be qualitatively sound at both low and high frequencies. The present approximation should be very useful in developing a theory of solvation dynamics which properly includes important inertial effects.

URL<Go to ISI>://A1993LN78200067