Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo
The effect of porosity and pore size on transport properties of hydrogen in a disordered porous medium is studied by kinetic Monte Carlo. The randomness of the pores in the medium, inscribed inside a simple cubic lattice, was corroborated by calculating the percolation threshold from the order para...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Universidad de Antioquia
2012-11-01
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| Series: | Revista Facultad de Ingeniería Universidad de Antioquia |
| Subjects: | |
| Online Access: | https://revistas.udea.edu.co/index.php/ingenieria/article/view/13654 |
| _version_ | 1797861630514561024 |
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| author | Alejandro Ramírez John Jairo Castañeda Elizabeth Pabón |
| author_facet | Alejandro Ramírez John Jairo Castañeda Elizabeth Pabón |
| author_sort | Alejandro Ramírez |
| collection | DOAJ |
| description |
The effect of porosity and pore size on transport properties of hydrogen in a disordered porous medium is studied by kinetic Monte Carlo. The randomness of the pores in the medium, inscribed inside a simple cubic lattice, was corroborated by calculating the percolation threshold from the order parameter. In regard to mass transport, results suggest that pore size varied between 1 and 5 nm only affects the effective diffusion if porosity values are close to the percolation threshold. Moreover, such diffusivity is mostly independent of H2 molecules concentration. Simulation allowed to characterize the anomalous diffusional behavior as a function of porosity, and it is consequent to the previously reported results for two-dimensional lattices.
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| first_indexed | 2024-04-09T22:06:19Z |
| format | Article |
| id | doaj.art-97722fbf955d49dfbb51d6c8117efe58 |
| institution | Directory Open Access Journal |
| issn | 0120-6230 2422-2844 |
| language | English |
| last_indexed | 2024-04-09T22:06:19Z |
| publishDate | 2012-11-01 |
| publisher | Universidad de Antioquia |
| record_format | Article |
| series | Revista Facultad de Ingeniería Universidad de Antioquia |
| spelling | doaj.art-97722fbf955d49dfbb51d6c8117efe582023-03-23T12:37:10ZengUniversidad de AntioquiaRevista Facultad de Ingeniería Universidad de Antioquia0120-62302422-28442012-11-016010.17533/udea.redin.13654Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte CarloAlejandro Ramírez0John Jairo Castañeda1Elizabeth Pabón2National University of ColombiaNational University of ColombiaNational University of Colombia The effect of porosity and pore size on transport properties of hydrogen in a disordered porous medium is studied by kinetic Monte Carlo. The randomness of the pores in the medium, inscribed inside a simple cubic lattice, was corroborated by calculating the percolation threshold from the order parameter. In regard to mass transport, results suggest that pore size varied between 1 and 5 nm only affects the effective diffusion if porosity values are close to the percolation threshold. Moreover, such diffusivity is mostly independent of H2 molecules concentration. Simulation allowed to characterize the anomalous diffusional behavior as a function of porosity, and it is consequent to the previously reported results for two-dimensional lattices. https://revistas.udea.edu.co/index.php/ingenieria/article/view/13654Monte Carloeffective diffusivity porous mediapercolation thresholddiffusion mechanisms |
| spellingShingle | Alejandro Ramírez John Jairo Castañeda Elizabeth Pabón Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo Revista Facultad de Ingeniería Universidad de Antioquia Monte Carlo effective diffusivity porous media percolation threshold diffusion mechanisms |
| title | Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo |
| title_full | Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo |
| title_fullStr | Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo |
| title_full_unstemmed | Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo |
| title_short | Study of the relationships between structural parameters of disordered porous media and effective diffusivity by Kinetic Monte Carlo |
| title_sort | study of the relationships between structural parameters of disordered porous media and effective diffusivity by kinetic monte carlo |
| topic | Monte Carlo effective diffusivity porous media percolation threshold diffusion mechanisms |
| url | https://revistas.udea.edu.co/index.php/ingenieria/article/view/13654 |
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