Molecular Dynamics Investigation on Adsorption Layer of Alcohols at the Air/Brine Interface
MetadataShow full item record
Alcohols are a significant group of surfactants which have been employed extensively in industry to improve the interfacial effects. Recently, the change in surface potential (ΔV)of two isomeric hexanols, methyl isobutyl carbinol (MIBC) and 1-hexanol, was investigated by using an ionizing241Am electrode. It clearly showed the opposite effects between MIBC and 1-hexanol in the interfacial zone: one enhanced the presence of cations, whereas the other enhanced the presence of anions. This study employs molecular dynamics simulation to provide new insights into the interactions between alcohol molecules and ions as well as water at the molecular level. The results qualitatively agreed with the experimental data and verified the significance of MIBC branching structure on the molecular arrangement within the interfacial zone. The results also highlighted the role of the second water layer on the interfacial properties.
Showing items related by title, author, creator and subject.
Surface-bound norbornylogous bridges as molecular rulers for investigating interfacial electrochemistry and as single molecule switchesDarwish, Nadim; Paddon-Row, M.; Gooding, J. (2014)Electron transfer (ET) reactions through molecules attached to surfaces, whether they are through single molecules or ensembles, are the subject of much research in molecular electronics, bioelectronics, and electrochemistry. ...
Sedev, Rossen (2011)Ionic liquids combine the properties of molten salts (they are liquids composed predominantly of ions) and organic liquids (a variety of chemical bonds and interactions are relevant). Their unique properties have attracted ...
Phan, Chi; Nguyen, C.; Pham, T. (2016)This study investigated the relationship between molecular arrangement and surface tension of water mixtures with methanol and ethanol. It has been found that the molecular structure of interfacial zone was deterministically ...