%0 Journal Article
%T Modeling of adsorption in pores with strongly heterogeneous walls: parametric lattice-site wall model
%+ Matériaux divisés, interfaces, réactivité, électrochimie (MADIREL)
%+ Laboratoire des colloïdes, verres et nanomatériaux (LCVN)
%A Kuchta, B
%A Firlej, Lucyna
%A Marzec, M.
%A Boulet, P.
%Z 0929-5607
%< avec comité de lecture
%Z LCVN:08-194
%@ 0929-5607
%J Adsorption - Journal of the International Adsorption Society
%I Springer Verlag
%V 14
%N 2-3
%P 201-205
%8 2008
%D 2008
%R 10.1007/s10450-007-9078-5
%Z Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]
%Z Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Journal articles
%X We present results of grand canonical Monte Carlo simulations of adsorption in cylindrical pores with rough surface modeled by a parametric lattice-site approach. The sites are randomly distributed over the pore walls. They could be attractive, neutral or repulsive with respect to the smooth pore model. Each site is characterized by two amplitudes (structural and energetic) which modify locally the structure and energetic properties of the surface. The results presented here show how different parameters of the model affect the mechanism of adsorption and, consequently, the form of the isotherm.
%G English
%L hal-00820927
%U https://hal.science/hal-00820927
%~ CNRS
%~ UNIV-AMU
%~ UNIV-MONTP2
%~ LCVN
%~ MADIREL
%~ UNIV-MONTPELLIER
%~ UM1-UM2
%~ TEST2-HALCNRS