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    Por favor, use este identificador para citar o enlazar este ítem: https://hdl.handle.net/10259/11935

    Título
    Quantitative Modeling and Analysis of Excess Molar Enthalpy in 2-Phenoxyethanol–Alcohol Systems
    Autor
    Samadi, Khaoula
    Yatim, Fatima Ezzahra
    Lifi, MohamedAutoridad UBU Orcid
    Lifi, Houda
    Alaoui, Fatima E. M.Autoridad UBU Orcid
    Aguilar Romero, FernandoAutoridad UBU Orcid
    Publicado en
    Journal of Chemical & Engineering Data. 2026, V. 71, n. 5, p. 2020-2034
    Editorial
    American Chemical Society
    Fecha de publicación
    2026-05
    ISSN
    0021-9568
    DOI
    10.1021/acs.jced.5c00709
    Résumé
    As the gasoline industry seeks cleaner-burning and more efficient fuel formulations, glycol ethers and alcohols, due to their oxygenated functional groups, are gaining interest as additives. One promising candidate is 2-phenoxyethanol (2-PhE), a glycol ether known for its thermal stability and low volatility. In this work, we studied how 2-PhE mixes with various alcohols, 1-propanol, 1-butanol, 2-propanol, 2-butanol, methanol, and ethanol, by measuring the excess molar enthalpy (HmE) at a pair of 298.15 and 313.15 K and at 0.1 MPa. All binary mixtures analyzed showed mixing was endothermic, indicating weaker interactions between the different molecules. To evaluate the predictability of thermodynamic models for these types of mixtures, the Redlich–Kister equation was found to be the best for correlating the HmE. The NRTL and UNIQUAC provided reasonable agreement by incorporating molecular size and local interactions. The modified UNIFAC (Dortmund) model, based on group contributions, was less accurate, especially for mixtures where hydrogen-bonding and molecular structure play a big role. These findings highlight the challenges in modeling complex alcohol ether blends and underscore the need for better predictive tools in the development of next-generation gasoline additives.
    Palabras clave
    Alcohols
    Mixtures
    Molecular interactions
    Noncovalent interactions
    Thermodynamic properties
    Materia
    Gasolina-Aditivos
    Gasoline-Additives
    Termodinámica química
    Thermochemistry
    URI
    https://hdl.handle.net/10259/11935
    Versión del editor
    https://doi.org/10.1021/acs.jced.5c00709
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