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A grand canonical Monte Carlo simulation study of argon and krypton confined inside weakly attractive slit pores

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Title A grand canonical Monte Carlo simulation study of argon and krypton confined inside weakly attractive slit pores
 
Creator SENGUPTA, A
ADHIKARI, J
 
Subject HIGH-PRESSURE ADSORPTION
DENSITY-FUNCTIONAL THEORY
TRIANGLE-WELL FLUID
SUPERCRITICAL FLUIDS
PHYSICAL ADSORPTION
NITROGEN ADSORPTION
PERTURBATION-THEORY
MESOPOROUS SILICAS
EXCESS ISOTHERMS
GAS-ADSORPTION
triangle-well fluids
grand canonical Monte Carlo
confined fluids
slit pores
 
Description Grand canonical Monte Carlo simulations are performed to investigate the adsorption of argon and krypton inside weakly attractive slit pores. We examine the effects of confinement on these monoatomic fluids (modelled using the triangle-well potential) in a hard wall slit pore as also when the pore-fluid interactions are uniformly and weakly attractive. The effects of temperature and pressure on the adsorption isotherms of these confined fluids are found to be the same as those reported in literature. The equilibrium density profiles for argon and krypton exhibit both uniform distribution and layering under different conditions. In addition, for krypton, under specific conditions inside the narrow pores, we note the development of frustrated layering.
 
Publisher TAYLOR & FRANCIS LTD
 
Date 2016-01-15T08:03:15Z
2016-01-15T08:03:15Z
2015
 
Type Article
 
Identifier MOLECULAR SIMULATION, 41(42130)402-413
0892-7022
1029-0435
http://dx.doi.org/10.1080/08927022.2014.951352
http://dspace.library.iitb.ac.in/jspui/handle/100/18118
 
Language en