Monte Carlo simulations of krypton adsorption in nanopores: Influence of pore wall heterogeneity on the adsorption mechanism
We present molecular simulation results of the adsorption of krypton in a model of MCM-41 mesoporous material. The adsorption isotherm and adsorption enthalpies have been studied at 77 K. The comparison of experimental and simulation data allows us to analyze how the available interaction models (Kr...
Saved in:
| Published in: | Физика низких температур |
|---|---|
| Date: | 2003 |
| Main Authors: | Kuchta, Bogdan, Llewellyn, Philip, Denoyel, Renaud, Firlej, Lucyna |
| Format: | Article |
| Language: | English |
| Published: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2003
|
| Subjects: | |
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/128945 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Monte Carlo simulations of krypton adsorption in nanopores: Influence of pore wall heterogeneity on the adsorption mechanism / Bogdan Kuchta, Philip Llewellyn, Renaud Denoyel, Lucyna Firlej // Физика низких температур. — 2003. — Т. 29, № 9-10. — С. 1152-1155. — Бібліогр.: 5 назв. — англ. |
Institution
Digital Library of Periodicals of National Academy of Sciences of UkraineSimilar Items
Activation spectroscopy of electronically induced defects in solid Ne
by: Grigorashchenko, O.N., et al.
Published: (2003)
by: Grigorashchenko, O.N., et al.
Published: (2003)
Purely electronic zero-phonon line as the foundation stone for high-resolution matrix spectroscopy, single-impurity-molecule spectroscopy, and persistent spectral hole burning. Recent developments
by: Rebane, K.K.
Published: (2003)
by: Rebane, K.K.
Published: (2003)
Quantum property of solid hydrogen as revealed by high-resolution laser spectroscopy
by: Hiroyuki Katsuki, et al.
Published: (2003)
by: Hiroyuki Katsuki, et al.
Published: (2003)
The vibration-rotation of H₂O and its complexation with CO₂ in solid argon revisited
by: Michaut, Xavier, et al.
Published: (2003)
by: Michaut, Xavier, et al.
Published: (2003)
Temperature dependence of hot luminescence in solid xenon: theory and experiment
by: Selg, Matti, et al.
Published: (2003)
by: Selg, Matti, et al.
Published: (2003)
Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile
by: Frankowski, Marcin, et al.
Published: (2003)
by: Frankowski, Marcin, et al.
Published: (2003)
Prompt and delayed secondary excitons in rare gas solids
by: Kirm, M., et al.
Published: (2003)
by: Kirm, M., et al.
Published: (2003)
The vibrational relaxation of CO₂ isolated in solid argon
by: Cenian, A., et al.
Published: (2003)
by: Cenian, A., et al.
Published: (2003)
Luminescence and formation of alkalihalide ionic excimers in solid Ne and Ar
by: Śliwiński, G., et al.
Published: (2003)
by: Śliwiński, G., et al.
Published: (2003)
Exciton self-trapping into diatomic and triatomic molecular complexes in xenon cryocrystals
by: Ogurtsov, A.N., et al.
Published: (2003)
by: Ogurtsov, A.N., et al.
Published: (2003)
Time-resolved CARS measurements of vibrational decoherence of I₂ isolated in matrix Ar
by: Karavitis, M., et al.
Published: (2003)
by: Karavitis, M., et al.
Published: (2003)
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study
by: Lignell, Antti, et al.
Published: (2003)
by: Lignell, Antti, et al.
Published: (2003)
Highly productive methods to model the adsorption with feedback in heterogeneous multicomponent nanoporous media
by: M. R. Petryk, et al.
Published: (2022)
by: M. R. Petryk, et al.
Published: (2022)
Automated parallelization of a program for modeling intraparticle diffusion and adsorption in heterogeneous nanoporous media
by: Doroshenko, A.Yu., et al.
Published: (2023)
by: Doroshenko, A.Yu., et al.
Published: (2023)
Adsorption of hard sphere fluid in porous material: A Monte Carlo simulation approach for pressure calculation
by: Orea, P., et al.
Published: (2003)
by: Orea, P., et al.
Published: (2003)
Monte Carlo simulation of nitrogen crystalline atomic phase
by: Yakub, L.N.
Published: (1996)
by: Yakub, L.N.
Published: (1996)
Neon in carbon nanopores: wetting, growth mechanisms and cluster structures
by: Krainyukova, N.V.
Published: (2007)
by: Krainyukova, N.V.
Published: (2007)
Photoelectron emission from solid Ne tested by impurity adsorption
by: Dmitriev, Yu.A.
Published: (2009)
by: Dmitriev, Yu.A.
Published: (2009)
Gyroidal nanoporous carbons - Adsorption and separation properties explored using computer simulations
by: Furmaniak, S., et al.
Published: (2016)
by: Furmaniak, S., et al.
Published: (2016)
Adsorption of chain molecules in pores with crystalline walls: a density functional approach
by: Bucior, K., et al.
Published: (2009)
by: Bucior, K., et al.
Published: (2009)
High-performance calculating supercomputer technologies of simulation of nanoporous systems with feedback for adsorption gas purification
by: M. R. Petryk, et al.
Published: (2020)
by: M. R. Petryk, et al.
Published: (2020)
On the optimization of approximate integration by Monte Carlo methods
by: Babenko, V. F., et al.
Published: (1997)
by: Babenko, V. F., et al.
Published: (1997)
High-performance supercomputer technologies of simulation and identification of nanoporous systems with feedback for n-component competitive adsorption
by: M. R. Petryk, et al.
Published: (2021)
by: M. R. Petryk, et al.
Published: (2021)
Modeling of adsorption and desorption of hydrocarbons in nanoporous catalisators of neutralizing systems of exhaust gases using nonlinear Langmuir isoterm
by: M. R. Petrik, et al.
Published: (2018)
by: M. R. Petrik, et al.
Published: (2018)
Phase transitions of fluids in heterogeneous pores
by: Malijevský, A.
Published: (2016)
by: Malijevský, A.
Published: (2016)
Using the Monte Carlo method for calculating the error of the measurement system
by: Ye. I. Baida, et al.
Published: (2024)
by: Ye. I. Baida, et al.
Published: (2024)
Monte Carlo method study of instability of nanowires on contacts of joints
by: N. A. Pasichnyj, et al.
Published: (2014)
by: N. A. Pasichnyj, et al.
Published: (2014)
Large scale Monte Carlo simulations of fluids under gravity
by: A. Brandt, et al.
Published: (2015)
by: A. Brandt, et al.
Published: (2015)
Large scale Monte Carlo simulations of fluids under gravity
by: A. Brandt, et al.
Published: (2015)
by: A. Brandt, et al.
Published: (2015)
Monte-carlo modeling for unstable particle ensembles with thermal fluctuations
by: Kharchenko, D.O.
Published: (2009)
by: Kharchenko, D.O.
Published: (2009)
Monte-Carlo simulation of random hyperbranched polymers with flexible branches
by: Ratner, M.
Published: (2009)
by: Ratner, M.
Published: (2009)
Monte Carlo and molecular dynamics studies for the colour rewritable films
by: Okajima, H., et al.
Published: (2001)
by: Okajima, H., et al.
Published: (2001)
Monte Carlo simulation of phase equilibria in Ising fluids and their mixtures
by: Fenz, W., et al.
Published: (2003)
by: Fenz, W., et al.
Published: (2003)
Monte Carlo simulations of the critical properties of the restricted primitive model
by: Caillol, J.-M.
Published: (2004)
by: Caillol, J.-M.
Published: (2004)
Solution of the First-Passage Problem by Advanced Monte Carlo Simulation Technique
by: Labou, M.
Published: (2003)
by: Labou, M.
Published: (2003)
Monte-Carlo simulation of response of semiconductor detectors for radionuclide identification devices
by: Skrypnyk, A.I., et al.
Published: (2015)
by: Skrypnyk, A.I., et al.
Published: (2015)
A Monte Carlo study of the Falicov–Kimball model in the perturbative regime
by: Musiał, G., et al.
Published: (2007)
by: Musiał, G., et al.
Published: (2007)
Monte Carlo simulation of migration of fusion plasma neutrons - optimization and traps
by: Robouch, B.V., et al.
Published: (2002)
by: Robouch, B.V., et al.
Published: (2002)
Dextran-silica hybrid materials: production, adsorption, thermal transformations and structure of the adsorption layer
by: T. V. Kulyk
Published: (2018)
by: T. V. Kulyk
Published: (2018)
Recovery of adsorption properties of shungite
by: V. E. Diiuk, et al.
Published: (2019)
by: V. E. Diiuk, et al.
Published: (2019)
Similar Items
-
Activation spectroscopy of electronically induced defects in solid Ne
by: Grigorashchenko, O.N., et al.
Published: (2003) -
Purely electronic zero-phonon line as the foundation stone for high-resolution matrix spectroscopy, single-impurity-molecule spectroscopy, and persistent spectral hole burning. Recent developments
by: Rebane, K.K.
Published: (2003) -
Quantum property of solid hydrogen as revealed by high-resolution laser spectroscopy
by: Hiroyuki Katsuki, et al.
Published: (2003) -
The vibration-rotation of H₂O and its complexation with CO₂ in solid argon revisited
by: Michaut, Xavier, et al.
Published: (2003) -
Temperature dependence of hot luminescence in solid xenon: theory and experiment
by: Selg, Matti, et al.
Published: (2003)