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Solvation Dynamics of CO(2)(g) by Monoethanolamine at the Gas–Liquid Interface: A Molecular Mechanics Approach
A classical force field approach was used to characterize the solvation dynamics of high-density CO(2)(g) by monoethanolamine (MEA) at the air–liquid interface. Intra- and intermolecular CO(2) and MEA potentials were parameterized according to the energetics calculated at the MP2 and BLYP-D2 levels...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155642/ https://www.ncbi.nlm.nih.gov/pubmed/28025552 http://dx.doi.org/10.3390/molecules22010008 |