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Detachment of Dodecane from Silica Surfaces with Variable Surface Chemistry Studied Using Molecular Dynamics Simulation
The adsorption and detachment processes of n-dodecane (C(12)H(26)) molecules were studied on silica surfaces with variable surface chemistry (Q(2), Q(3), Q(4) environments), using molecular dynamics simulations. The area density of the silanol groups varied from 9.4 to 0 per nm(2). The shrinking of...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10305478/ https://www.ncbi.nlm.nih.gov/pubmed/37375322 http://dx.doi.org/10.3390/molecules28124765 |