2026-07-24T13:00:53Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/119352026-07-22T00:05:25Zcom_10259_4707com_10259_5086com_10259_2604com_10259_9737col_10259_4708col_10259_10448

Quantitative Modeling and Analysis of Excess Molar Enthalpy in 2-Phenoxyethanol–Alcohol Systems Samadi, Khaoula Yatim, Fatima Ezzahra Lifi, Mohamed Lifi, Houda Alaoui, Fatima E. M. Aguilar Romero, Fernando Alcohols Mixtures Molecular interactions Noncovalent interactions Thermodynamic properties 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. 2026-07-21T10:58:31Z 2026-07-21T10:58:31Z 2026-07-21T10:58:31Z 2026-05 info:eu-repo/semantics/article 0021-9568 https://hdl.handle.net/10259/11935 10.1021/acs.jced.5c00709 1520-5134 eng Journal of Chemical & Engineering Data. 2026, V. 71, n. 5, p. 2020-2034 https://doi.org/10.1021/acs.jced.5c00709 http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess Atribución 4.0 Internacional American Chemical Society