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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Isidoro García-Cruz, Diego Valencia, Jorge Aburto
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: MDPI AG 2013-08-01
Cyfres:Molecules
Pynciau:
nonylphenol ethoxylate
surfactant
DFT
DPD
micelles
solvation energy
Mynediad Ar-lein:http://www.mdpi.com/1420-3049/18/8/9441
Tagiau: Ychwanegu Tag
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