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Water Clusters in Lignite and Desorption Energy Calculation by Density Functional Theory
[Image: see text] The interaction of water and hydrophilic sites with hydroxyl, carboxyl, and multiple oxygen-containing functional groups (OFGs) in lignite molecules was studied by density functional theory. The adsorption of water molecules on the lignite surface initially resulted in the formatio...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6733174/ https://www.ncbi.nlm.nih.gov/pubmed/31508544 http://dx.doi.org/10.1021/acsomega.9b01417 |