Electronic Structure and Mesoscopic Simulations of Nonylphenol Ethoxylate Surfactants. A Combined DFT and DPD Study

The aim of this work was to gain insight into the effect of ethylene oxide (EO) chains on the properties of a series of nonylphenol ethoxylate (NPE) surfactants. We performed a theoretical study of NPE surfactants by means of density functional theory (DFT) and dissipative particle dynamics (DPD). B...

Descripción completa

Detalles Bibliográficos
Autores principales: Valencia, Diego, Aburto, Jorge, García-Cruz, Isidoro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270102/
https://www.ncbi.nlm.nih.gov/pubmed/23966071
http://dx.doi.org/10.3390/molecules18089441

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270102/
https://www.ncbi.nlm.nih.gov/pubmed/23966071
http://dx.doi.org/10.3390/molecules18089441

Ejemplares similares