Simulation Study for the Adsorption of Carbon Disulfide on Hydroxyl Modified Activated Carbon

In this study, grand canonical Monte Carlo simulations (GCMC) and molecular dynamics simulations (MD) were used to construct models of activated carbon with hydroxyl-modified hexachlorobenzene basic unit contents of 0%, 12.5%, 25%, 35% and 50%. The mechanism of adsorption of carbon disulfide (CS(2))...

Descripción completa

Detalles Bibliográficos
Autores principales: Cui, Xiangyu, Li, Penghui, Hu, Baohua, Yang, Teng, Fu, Haichao, Chen, Shuai, Zhang, Xiaolai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303832/
https://www.ncbi.nlm.nih.gov/pubmed/37375182
http://dx.doi.org/10.3390/molecules28124627

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303832/
https://www.ncbi.nlm.nih.gov/pubmed/37375182
http://dx.doi.org/10.3390/molecules28124627

Ejemplares similares