A Monte Carlo study of the dielectric constant of the restricted primitive model of electrolytes on the vapor branch of the coexistence line

1995 ◽  
Vol 102 (13) ◽  
pp. 5471-5479 ◽  
Author(s):  
J. M. Caillol
Keyword(s):  
Dielectric Constant ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Primitive Model ◽  
Restricted Primitive Model ◽  
Coexistence Line

scholarly journals Ionic solution near an uncharged surface with image forces

1981 ◽  
Vol 59 (13) ◽  
pp. 1998-2003 ◽  
Author(s):  
T. Croxton ◽  
D. A. McQuarrie ◽  
G. N. Patey ◽  
G. M. Torrie ◽  
J. P. Valleau
Keyword(s):  
Dielectric Constant ◽  
Monte Carlo ◽  
Monte Carlo Data ◽  
Ion Density ◽  
Primitive Model ◽  
Monte Carlo Computation ◽  
Restricted Primitive Model ◽  
Integral Equation Approach ◽  
Chain Equation ◽  
Hypernetted Chain

We studied the ion density in a dilute electrolyte solution which is next to an uncharged surface at which there is a discontinuity in the dielectric constant. In particular, we treated the restricted primitive model of a 1–1 aqueous solution next to a pure phase of unit dielectric constant. This served as a primitive model of the interface between an electrolytic solution and the air. Monte Carlo data are presented: the image forces are included and treated exactly. The model was also treated using the Born–Green–Yvon (BGY) integral equation approach; a modification of BGY theory which ensures electroneutrality is in very good agreement with the Monte Carlo data. The use of a "screened self-image" approximation to the potential energy has been tested using Monte Carlo computation and is found to be inadequate for the present model. Hypernetted-chain equation results using this approximation are also reported.

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