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PreprintCC BY-NC-ND 4.0arXiv

Density and excess molar enthalpy of 2-butanol + glyme liquid mixtures. Application of the DISQUAC, UNIFAC (Dortmund) and ERAS models to 2-alkanol + linear ether systems

  • Fatemeh Pazoki
  • João Victor Alves-Laurentino
  • Susana Villa
  • Daniel Lozano-Martín
  • Fernando Hevia
  • Luis Felipe Sanz
  • Juan Antonio González
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Abstract

Densities and excess molar volumes (VmE) at (293.15 to 303.15) K and excess molar enthalpies (HmE) at 298.15 K are reported for the 2-butanol + 2,5-dioxahexane, or + 2,5,8-trioxanonane, or + 2,5,8,11-tetraoxadodecane, or + 2,5,8,11,14-pentaoxapentadecane systems at 95 kPa. Densities were measured using a densitometer Anton Paar DSA 5000, and excess enthalpies by means of a micro-calorimeter Tian-Calvet. HmE and VmE data are positive, indicating that interactions between like molecules are dominant and that the main contribution to VmE is the interactional one. Our enthalpic data together with data from the literature have been used to evaluate the enthalpy of alcohol-glyme interactions, which are ranged between (−31 and −22) kJ mol−1. From the comparison with HmE results for glyme + heptane systems, and from the position of the investigated mixtures in the diagram GmE (excess molar Gibbs energy) vs. HmE, it is shown that interactions are of dispersive type. 2-Alkanol + dipropyl ether (DPE), or + glyme systems have also been studied using the DISQUAC, UNIFAC (Dortmund) and ERAS models. According to ERAS results, physical interactions in glyme systems are dominant, while association effects are predominant in mixtures with DPE. The DISQUAC interaction parameters suggest that interactions related to the OH/O contacts are essentially dispersive. UNIFAC fails when representing thermodynamic properties of the studied solutions.

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Cite

BibTeXRIS
BibTeX
@misc{pazoki2026density,
  title = {{Density and excess molar enthalpy of 2-butanol + glyme liquid mixtures. Application of the DISQUAC, UNIFAC (Dortmund) and ERAS models to 2-alkanol + linear ether systems}},
  author = {Fatemeh Pazoki and João Victor Alves-Laurentino and Susana Villa and Daniel Lozano-Martín and Fernando Hevia and Luis Felipe Sanz and Juan Antonio González},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.19805},
  eprint = {2610.19805},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.19805},
  note = {CC BY-NC-ND 4.0},
}
RIS
TY  - UNPB
TI  - Density and excess molar enthalpy of 2-butanol + glyme liquid mixtures. Application of the DISQUAC, UNIFAC (Dortmund) and ERAS models to 2-alkanol + linear ether systems
AU  - Fatemeh Pazoki
AU  - João Victor Alves-Laurentino
AU  - Susana Villa
AU  - Daniel Lozano-Martín
AU  - Fernando Hevia
AU  - Luis Felipe Sanz
AU  - Juan Antonio González
PY  - 2026
DA  - 2026/10/14
PB  - arXiv
DO  - 10.48550/arxiv.2610.19805
UR  - https://arxiv.org/abs/2610.19805
AB  - Densities and excess molar volumes (V_m^E) at (293.15 to 303.15) K and excess molar enthalpies (H_m^E) at 298.15 K are reported for the 2-butanol + 2,5-dioxahexane, or + 2,5,8-trioxanonane, or + 2,5,8,11-tetraoxadodecane, or + 2,5,8,11,14-pentaoxapentadecane systems at 95 kPa. Densities were measured using a densitometer Anton Paar DSA 5000, and excess enthalpies by means of a micro-calorimeter Tian-Calvet. H_m^E and V_m^E data are positive, indicating that interactions between like molecules are dominant and that the main contribution to V_m^E is the interactional one. Our enthalpic data together with data from the literature have been used to evaluate the enthalpy of alcohol-glyme interactions, which are ranged between (−31 and −22) kJ mol^−1. From the comparison with H_m^E results for glyme + heptane systems, and from the position of the investigated mixtures in the diagram G_m^E (excess molar Gibbs energy) vs. H_m^E, it is shown that interactions are of dispersive type. 2-Alkanol + dipropyl ether (DPE), or + glyme systems have also been studied using the DISQUAC, UNIFAC (Dortmund) and ERAS models. According to ERAS results, physical interactions in glyme systems are dominant, while association effects are predominant in mixtures with DPE. The DISQUAC interaction parameters suggest that interactions related to the OH/O contacts are essentially dispersive. UNIFAC fails when representing thermodynamic properties of the studied solutions.
ER  -