Water Phase Diagram Is Significantly Altered by Imidazolium Ionic Liquid

التفاصيل البيبلوغرافية
العنوان: Water Phase Diagram Is Significantly Altered by Imidazolium Ionic Liquid
المؤلفون: Vitaly V. Chaban, Oleg V. Prezhdo
المصدر: Chaban, V V & Prezhdo, O V 2014, ' Water Phase Diagram Is Significantly Altered by Imidazolium Ionic Liquid ', The Journal of Physical Chemistry Letters, vol. 5, no. 10, pp. 1623-1627 . https://doi.org/10.1021/jz500563qTest
سنة النشر: 2015
مصطلحات موضوعية: Tetrafluoroborate, Vapor pressure, Raoult's law, Thermodynamics, Nanotechnology, AQUEOUS BIPHASIC SYSTEMS MOLECULAR SIMULATION FORCE-FIELD EQUILIBRIA MIXTURES CO2, Force field (chemistry), chemistry.chemical_compound, Boiling point, Molecular dynamics, chemistry, Ionic liquid, General Materials Science, Physical and Theoretical Chemistry, Phase diagram
الوصف: We report unusually large changes in the boiling temperature, saturated vapor pressure, and structure of the liquid-vapor interface for a range of 1-butyl-3-methyl tetrafluoroborate, [C4C1IM][BF4]-water mixtures. Even modest molar fractions of [C4C1IM][BF4] significantly affect the phase behavior of water, as represented, for instance, by strong negative deviations from Raoult's law, extending far beyond the standard descriptions. The investigation was carried out using classical molecular dynamics employing a specifically refined force field. The changes in the liquid-vapor interface and saturated vapor pressures are discussed at the atomistic resolution. The reported results guide the search for novel scientific and technological applications of ion-molecular systems.
تدمد: 1948-7185
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bef261cc1b80eb391ac9ab1be6edd501Test
https://pubmed.ncbi.nlm.nih.gov/26270356Test
حقوق: RESTRICTED
رقم الانضمام: edsair.doi.dedup.....bef261cc1b80eb391ac9ab1be6edd501
قاعدة البيانات: OpenAIRE