Mostrando 3 resultados de: 3
Filtros aplicados
Subtipo de publicación
Article(3)
Publisher
Colloids and Surfaces A: Physicochemical and Engineering Aspects(1)
Journal of Molecular Liquids(1)
Momento(1)
A quantum chemical study of small molecules used as active layer component of organic solar cells
ArticleAbstract: Organic solar cells (OSCs) are one of the best alternatives in the photovoltaic area. These devicesPalabras claves:DFT, HOMO, LUMO, NMRAutores:Adriana A. Alvarado, Haci Baykara, P. Iza, Peter Iza, Zarate X.P.Fuentes:googlescopusEvaluation of the affinity of asphaltene molecular models A1 and A2 by the water/oil interfaces based on a novel concept of solubility parameter profiles obtained from MD simulations
ArticleAbstract: Crude oils are formed of asphaltenes that are species soluble in certain solvents such as toluene. TPalabras claves:Asphaltenes, molecular dynamics simulations, Solubility parameter profiles, Water/oil systemsAutores:P. Iza, Parra J.G., Rodriguez G., Schott E., Zarate X.P.Fuentes:scopusEffect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations
ArticleAbstract: Molecular dynamics simulations were carried out to investigate the effect of TX-100 surfactant on thPalabras claves:Hydrophobic film, Interfacial thickness, molecular dynamics, TX-100 surfactantAutores:Dominguez H., P. Iza, Parra J.G., Peter Iza, Schott E., Zarate X.P.Fuentes:googlescopus