COMPUTER-SIMULATION OF A SIMPLE-MODEL FOR ROTATIONAL MOMENT FLUCTUATIONS IN AN ASSOCIATING LIQUID

Citation
Hg. Kohne et M. Stockhausen, COMPUTER-SIMULATION OF A SIMPLE-MODEL FOR ROTATIONAL MOMENT FLUCTUATIONS IN AN ASSOCIATING LIQUID, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 50(4-5), 1995, pp. 352-356
Citations number
21
Categorie Soggetti
Chemistry Physical",Physics
ISSN journal
09320784
Volume
50
Issue
4-5
Year of publication
1995
Pages
352 - 356
Database
ISI
SICI code
0932-0784(1995)50:4-5<352:COASFR>2.0.ZU;2-Y
Abstract
With regard to the interpretation of dielectric relaxation spectra of associating liquids such as alcohols, a two state model for the rotati onal tumbling motion of a dipole is considered: The moment (of constan t magnitude) is assumed to undergo stochastic tumbling during a ''free '' state, alternating with an ''associated'' state where for a certain residence time the rotational motion can be neglected. One particle a utocorrelation functions according to that model are calculated numeri cally. In any case, they can well be described as sum of(at most) two exponentials. The corresponding parameters are given as function of '' association'' probability and residence time.