Identificador persistente para citar o vincular este elemento: http://hdl.handle.net/10553/75816
Título: Intermolecular forces in pyrrolidones + 1,2-alkanediol liquid mixtures
Autores/as: Trenzado Diepa, José Luis 
Rozas, S.
Alcalde, R.
Atilhan, M.
Aparicio, S.
Clasificación UNESCO: 2210 Química física
Palabras clave: Pyrrolidone
Alkanediols
Liquid mixtures
Hydrogen bonding
Thermophysics, et al.
Fecha de publicación: 2020
Proyectos: BU094G18 (Junta de Castilla y León)
RTI2018-101987-B-I00 (Ministerio de Ciencia, Innovación y Universidades)
Publicación seriada: Journal of Molecular Liquids 
Resumen: The properties of binary liquidmixtures formed by lactams (2-pyrrolidone or N-methyl-2-pyrrolidone)with 1,2-alkanediols were studied as a function of mixtures composition using a combined experimental and theoretical approach. The experimental properties were analysed in terms of excess and mixing properties, thus inferring deviations from ideality and their relationships with types and extension of hydrogen bonding. The theoretical study using both quantumchemistry and classical molecular dynamics simulations provided a nanoscopic characterization of the mixed fluids and for the intermolecular forces in terms of homo and heteroassociations. The reported results allowed to characterize lactam–containing liquid mixtures inmultiscale approach, thus inferring the properties of these systems and their relationships with their solvency capacity.
URI: http://hdl.handle.net/10553/75816
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2020.112539
Fuente: Journal of Molecular Liquids [ISSN 0167-7322]. n. 302, 112539
Colección:Artículos
Vista completa

Visitas

59
actualizado el 27-ene-2024

Google ScholarTM

Verifica

Altmetric


Comparte



Exporta metadatos



Los elementos en ULPGC accedaCRIS están protegidos por derechos de autor con todos los derechos reservados, a menos que se indique lo contrario.