Charged pore matrices prepared with and without template particles by computer simulations
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| Format: | Artículo científico |
| Language: | en |
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Sociedad Mexicana de Física A.C.
2004
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| _version_ | 1876481193116958720 |
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| author | M. Rivera |
| author_facet | M. Rivera |
| contents | Charged pore matrices prepared with and without template particles by computer simulations M. Rivera E. Nuñez H. Dominguez Física, Astronomía y Matemáticas porosity Porous structure computer simulation charged porous matrices Series of Molecular Dynamics simulations to study the structure of different porous matrices were investigated. Matrices were preparedby two different processes. The first method consisted of charged particles simulated at a fixed density, and after equilibration, the matrixstructure was taken from the last configuration. The second method was prepared from a binary mixture of charged particles where one ofthe components served as the template material and the other as the matrix. The final porous matrix configuration was obtained by removingtemplate particles from the equilibrated mixture, and therefore only the matrix particles remained in the system. The volume distribution,the cluster formation, and the porosity in the pore matrix were investigated. The present results were compared with previous results of porematrices prepared without electrostatic interactions. Therefore, electrostatic effects were analyzed in terms of the pore matrix preparationmethod. As a general trend, it was observed that matrices prepared with template presented smaller voids in the structure in comparison withmatrices prepared without template. It was also found that porosity was higher in matrices without template than in matrices with template.When comparisons were made between matrices with and without electrostatic interactions, the porosity was higher in matrices with chargethan in matrices without charge. Finally, at low and high temperatures, the porosity values were nearly the same. 2004 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57062801 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.Re4 Vol.50 |
| format | Artículo científico |
| id | redalyc_57062801 |
| institution | Redalyc |
| language | en |
| publishDate | 2004 |
| publisher | Sociedad Mexicana de Física A.C. |
| spellingShingle | Charged pore matrices prepared with and without template particles by computer simulations M. Rivera Física, Astronomía y Matemáticas porosity Porous structure computer simulation charged porous matrices Charged pore matrices prepared with and without template particles by computer simulations M. Rivera E. Nuñez H. Dominguez Física, Astronomía y Matemáticas porosity Porous structure computer simulation charged porous matrices Series of Molecular Dynamics simulations to study the structure of different porous matrices were investigated. Matrices were preparedby two different processes. The first method consisted of charged particles simulated at a fixed density, and after equilibration, the matrixstructure was taken from the last configuration. The second method was prepared from a binary mixture of charged particles where one ofthe components served as the template material and the other as the matrix. The final porous matrix configuration was obtained by removingtemplate particles from the equilibrated mixture, and therefore only the matrix particles remained in the system. The volume distribution,the cluster formation, and the porosity in the pore matrix were investigated. The present results were compared with previous results of porematrices prepared without electrostatic interactions. Therefore, electrostatic effects were analyzed in terms of the pore matrix preparationmethod. As a general trend, it was observed that matrices prepared with template presented smaller voids in the structure in comparison withmatrices prepared without template. It was also found that porosity was higher in matrices without template than in matrices with template.When comparisons were made between matrices with and without electrostatic interactions, the porosity was higher in matrices with chargethan in matrices without charge. Finally, at low and high temperatures, the porosity values were nearly the same. 2004 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57062801 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.Re4 Vol.50 |
| title | Charged pore matrices prepared with and without template particles by computer simulations |
| topic | Física, Astronomía y Matemáticas porosity Porous structure computer simulation charged porous matrices |
| url | https://www.redalyc.org/articulo.oa?id=57062801 |