https://hdl.handle.net/10259/4708 Mon, 17 Aug 2026 11:11:55 GMT 2026-08-17T11:11:55Z https://hdl.handle.net/10259/11935 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 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. Fri, 01 May 2026 00:00:00 GMT https://hdl.handle.net/10259/11935 2026-05-01T00:00:00Z https://hdl.handle.net/10259/11929 Experimental and Modeling Study of Thermophysical and Excess Properties of 1-Heptanol + Glycol Ether Systems Samadi, Khaoula; Lifi, Mohamed; Lifi, Houda; Ouakarrouch, Mohamed; Aguilar Romero, Fernando; Alaoui, Fatima E. M. Reducing emissions is a key goal in developing sustainable fuels. Higher alcohols like 1-heptanol play an important key due to their excellent fuel properties, such as high energy content and good combustion behavior, making them promising candidates as renewable fuel additives. This study focuses on the investigation of heat- related behavior of five binary systems composed of glycol ethers with 1-heptanol: diethylene glycol monomethyl ether, diethylene glycol monoethyl ether, ethylene glycol monomethyl ether, ethylene glycol monophenyl ether, and ethylene glycol monobutyl ether. Experimental data were carried out for key thermal and physical properties, including excess molar enthalpy (HE m), density (ρ), speed of sound (u), and refractive index (nD), across the temperature range 293.15–323.15 K at 0.1 MPa. From these primary data, secondary thermophysical properties, namely excess molar volume (VE), isentropic compressibility (ks), and refractive index deviation (ΔnD), were derived to better characterize non-ideal mixing behavior. Peng–Robinson and PC-SAFT EOS were using to modeled the density data, while empirical polynomial expressions were applied to fit composition-dependent trends in ρ, u, nD, and ks as dependent on fraction. VE and ΔnD were fitted using the Redlich-Kister equation. The HE m was analyzed using both empirical method and heat-related models, including UNIQUAC, NRTL, and the predictive DM-UNIFAC model. All systems exhibited positive HE m values, indicating endothermic mixing processes. These findings offer valuable insight into the interaction mechanisms between 1-heptanol and glycol ethers, supporting their evaluation for use in environmentally friendly fuel formulations. Fri, 01 May 2026 00:00:00 GMT https://hdl.handle.net/10259/11929 2026-05-01T00:00:00Z https://hdl.handle.net/10259/11927 Thermophysical and chemical characterization of Mentha Pulegium essential oil-ethanol mixtures Rouibaa, Hajar; Lifi, Mohamed; Rubio Pérez, Gabriel; Aguilar Romero, Fernando; Dakkach, Mohamed; Atlamsani, Ahmed Essential oils isolated from biomass are valuable natural resources with diverse applications. Mentha Pulegium Linnaeus essential oil is particularly attractive due to its high pulegone content. Ethanol, a bio-based oxygenated additive, enhances combustion efficiency and engine performance while reducing emissions. Studying the thermophysical properties of their binary mixtures is pivotal for sustainable technologies. In the present work, we investigate the chemical profile and thermophysical characteristics of M. Pulegium essential oil mixed with ethanol. The chemical composition was identified using GC-MS with a DB-5MS column. New experimental data for density (ρ), dynamic and kinematic viscosities (ɳ, µ), and refractive index (nD) were obtained at 293.15 - 303.15 K and 0.1 MPa. Specific heat capacity (Cp) was measured between 253.15 K to 298.15 K. Excess volume (VE), deviations in dynamic viscosity (Δɳ), and refractive index deviations (ΔnD) were correlated using the Redlich-Kister equation to interpret intermolecular forces. Fri, 01 May 2026 00:00:00 GMT https://hdl.handle.net/10259/11927 2026-05-01T00:00:00Z https://hdl.handle.net/10259/11616 Experimental and modeling insights into excess molar enthalpy of alcohol–additive ternary mixtures at 298.15 and 313.15 K Samadi, Khaoula; Lifi, Mohamed; Briones Llorente, Raúl; Aguilar Romero, Fernando; Alaoui, Fatima E. M. The increasing demand for cleaner energy carriers has intensified interest in liquid fuel blends containing oxygenated compounds such as alcohols and glycol ethers. These additives improve combustion efficiency and reduce environmental impact. In this work, excess molar enthalpies were determined for a binary mixtures (ethanol + 1-propanol; diethylene glycol monoethyl ether + 1-propanol; and ethylene glycol monophenyl ether + ethanol) as well as for four ternary mixtures: diethylene glycol monomethyl ether (1) + 1-propanol (2) + ethanol (3), diethylene glycol monoethyl ether (1) + 1-propanol (2) + ethanol (3), ethylene glycol monomethyl ether (1) + 1-propanol (2) + ethanol (3), and ethylene glycol monophenyl ether (1) + 1-propanol (2) + ethanol (3). Measurements were obtained with a quasi-isothermal flow calorimeter at 298.15 K and 313.15 K under 0.1 MPa, conditions representative of typical industrial applications. The experimental data were then correlated using the Redlich–Kister equation for the binary system and the NRTL, UNIQUAC, and modified UNIFAC (Dortmund) models for the ternary systems, enabling evaluation of both mixture behavior and model accuracy. The findings expand the thermodynamic database for alcohol- and glycol ether-based blends and provide benchmarks for simulation and design in energy and petrochemical processes. Sun, 01 Mar 2026 00:00:00 GMT https://hdl.handle.net/10259/11616 2026-03-01T00:00:00Z