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...

Descripción completa

Detalles Bibliográficos
Autores principales: He, Qiongqiong, Xiao, Yawen, Miao, Zhenyong, Sun, Mingjun, Wan, Keji, Gao, Mingqiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

Ejemplares similares