CONFERENCE PROCEEDINGS
Advanced Search
Home > Proceedings > Volume 3178 > Article
Paper
14 July 1997 Rate constant of the ion recombination in large ionic ensembles: a computer simulation study
Krystyna Wolf, Jan Karniewicz, Witold M. Bartczak, Andries Hummel
Author Affiliations +
Proceedings Volume 3178, Solid State Crystals: Growth and Characterization; (1997) https://doi.org/10.1117/12.280716
Event: XII Conference on Solid State Crystals: Materials Science and Applications, 1996, Zakopane, Poland
Abstract
The rate constant of the diffusion-controlled recombination of ions in large ensembles of nonseparable ion pairs was calculated by means of computer simulation. The computer codes have been constructed to simulate diffusion-type transport and recombination of ions in model supersaturated solutions with different concentrations of ionic solutes and different dielectric constants of the solution. The simulations yielded the rate constant of the ion recombination as a function of the ion concentration. The calculated rates are compared with the theoretical Debye-Smoluchowski-type rate constant kDS derived for isolated ion pairs and the Smoluchowski rate constant ks for neutral reactants. It appears that the rate constant does not decrease with the increase of concentration, even in the range of 1 M solutions. The rate constants, for wide range of the dielectric permittivity, are slightly higher than the kDS rate constant. A similar result has been obtained when the Jaffe model of the ion recombination in columns of ionization produced by a high energy particle was analyzed. The Jaffe kinetics agrees very well with the kinetics of recombination produced by the simulation codes only if the Jaffe rate kJ of ion recombination in multi-ion pair column, which is the free parameter of the Jaffe model, approaches the Debye- Smoluchowski rate constant kDS.
© (1997) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Citation Download Citation
Krystyna Wolf, Jan Karniewicz, Witold M. Bartczak, and Andries Hummel "Rate constant of the ion recombination in large ionic ensembles: a computer simulation study", Proc. SPIE 3178, Solid State Crystals: Growth and Characterization, (14 July 1997); https://doi.org/10.1117/12.280716
ACCESS THE FULL ARTICLE
ORGANIZATIONAL
Sign in with credentials provided by your organization.
INSTITUTIONAL
Select your institution to access the SPIE Digital Library.
SELECT YOUR INSTITUTION
PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.
PERSONAL SIGN IN
No SPIE Account? Create one
PURCHASE THIS CONTENT
SUBSCRIBE TO DIGITAL LIBRARY
50 downloads per 1-year subscription
Members: $195
Non-members: $335 ADD TO CART
25 downloads per 1 - year subscription
Members: $145
Non-members: $250 ADD TO CART
PURCHASE SINGLE ARTICLE
Includes PDF, HTML & Video, when available
Members: $17.00
Non-members: $21.00 ADD TO CART
PROCEEDINGS
 8 PAGES
DOWNLOAD PAPER SAVE TO MY LIBRARY
GET CITATION
Advertisement
Advertisement
RIGHTS & PERMISSIONS
Get copyright permission  Get copyright permission on Copyright Marketplace
KEYWORDS
Ions
Computer simulations
Dielectrics
Particles
Ionization
Diffusion
Molecules
RELATED CONTENT
Subscribe to Digital Library
Receive Erratum Email Alert
Back to Top