Salt and Water Uptake in Nanoconfinement under Applied Electric Field: An Open Ensemble Monte Carlo Study

2015 ◽  
Vol 119 (35) ◽  
pp. 20416-20425 ◽  
Author(s):  
Filip Moucka ◽  
Dusan Bratko ◽  
Alenka Luzar
Keyword(s):  
Monte Carlo ◽  
Electric Field ◽  
Water Uptake ◽  
Applied Electric Field ◽  
Monte Carlo Study ◽  
Ensemble Monte Carlo

A grand ensemble Monte Carlo study of metal adsorption on a (110) bcc substrate

1992 ◽  
Vol 264 (3) ◽  
pp. 455-466 ◽  
Author(s):  
N. Georgiev ◽  
A. Milchev ◽  
M. Paunov ◽  
B. Dünweg
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Metal Adsorption ◽  
Ensemble Monte Carlo

Grand ensemble Monte Carlo study of crystallization in sub-monolayer adsorption at a solid vapour interface

1978 ◽  
Vol 31 (5) ◽  
pp. 933 ◽  
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo ◽  
Adsorption Isotherm ◽  
Thermodynamic Properties ◽  
Boundary Conditions ◽  
Iterative Procedure ◽  
Periodic Boundary ◽  
Monte Carlo Study ◽  
Periodic Boundary Conditions ◽  
Ensemble Monte Carlo ◽  
Monolayer Adsorption

A grand ensemble Monte Carlo procedure is used to examine the thermodynamic properties of a crystal-like layer of krypton adsorbed at sub-monolayer coverages on graphite at 90.12 K. The effect of the periodic boundary conditions on these properties is discussed and used to develop a thermodynamically consistent iterative procedure to estimate the transition pressure and thereby fix the adsorption isotherm.

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