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Molecular adsorption and self-diffusion of NO(2), SO(2), and their binary mixture in MIL-47(V) material
The loading dependence of self-diffusion coefficients (D(s)) of NO(2), SO(2), and their equimolar binary mixture in MIL-47(V) have been investigated by using classical molecular dynamics (MD) simulations. The D(s) of NO(2) are found to be two orders of magnitude greater than SO(2) at low loadings an...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10289206/ https://www.ncbi.nlm.nih.gov/pubmed/37362329 http://dx.doi.org/10.1039/d3ra02724d |