RT info:eu-repo/semantics/article
T1 Quantitative Modeling and Analysis of Excess Molar Enthalpy in 2-Phenoxyethanol–Alcohol Systems
A1 Samadi, Khaoula
A1 Yatim, Fatima Ezzahra
A1 Lifi, Mohamed
A1 Lifi, Houda
A1 Alaoui, Fatima E. M.
A1 Aguilar Romero, Fernando
K1 Alcohols
K1 Mixtures
K1 Molecular interactions
K1 Noncovalent interactions
K1 Thermodynamic properties
K1 Gasolina-Aditivos
K1 Gasoline-Additives
K1 Termodinámica química
K1 Thermochemistry
AB 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.
PB American Chemical Society
SN 0021-9568
YR 2026
FD 2026-05
LK https://hdl.handle.net/10259/11935
UL https://hdl.handle.net/10259/11935
LA eng
DS Repositorio Institucional de la Universidad de Burgos
RD 04-nov-2026