CaltechAUTHORS
  A Caltech Library Service

Ion-induced nucleation. II. Polarizable multipolar molecules

Kusaka, I. and Wang, Z.-G. and Seinfeld, J. H. (1995) Ion-induced nucleation. II. Polarizable multipolar molecules. Journal of Chemical Physics, 103 (20). pp. 8993-9009. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:KUSjcp95b

[img]
Preview
PDF
See Usage Policy.

362Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:KUSjcp95b

Abstract

Density functional theory is applied to ion-induced nucleation of polarizable multipolar molecules. The asymmetric nature of the ion-molecule interaction is shown to cause the sign preference in ion-induced nucleation. When the ion-molecule interaction is weak, the observed sign preference is consistent with that of the bare ion-molecule interaction potential and decreases with increasing supersaturation. However, as the ion-molecule interaction becomes stronger, the sign preference in the reversible work exhibits some nontrivial behavior. For molecular parameters applicable for CS2 and CH4, the predicted values of the reversible work of nucleation depend on the sign of the ion charge, yielding a difference in the nucleation rate by factors of 10 to 10^(2) and 10 to 10^(5), respectively.


Item Type:Article
Additional Information:Copyright © 1995 American Institute of Physics. Received 11 July 1995; accepted 18 August 1995. This work is supported by National Science Foundation Grant No. ATM-9307603. Part I of this work is Kusaka et al. [J. Chem. Phys. 102, 913 (1995)]. [Ref. 15]
Subject Keywords:DENSITY FUNCTIONAL METHOD; FREE ENERGY; INTERACTIONS; INTERIONIC POTENTIALS; INTERMOLECULAR FORCES; MOLECULAR IONS; NUCLEATION; STATISTICAL MECHANICS; SUPERSATURATION; VAPOR CONDENSATION
Record Number:CaltechAUTHORS:KUSjcp95b
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:KUSjcp95b
Alternative URL:http://dx.doi.org/10.1063/1.470089
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:2063
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:06 Mar 2006
Last Modified:26 Dec 2012 08:47

Repository Staff Only: item control page