Orientational effects in mixtures of organic carbonates with alkanes or 1-alkanols
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866909323228086272 |
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| author | González, Juan Antonio Hevia, Fernando Tristán, Cristina Alonso de la Fuente, Isaías García Cobos, José Carlos |
| author_facet | González, Juan Antonio Hevia, Fernando Tristán, Cristina Alonso de la Fuente, Isaías García Cobos, José Carlos |
| contents | Interactions and structure of organic carbonate + alkane, and 1-alkanol + organic carbonate mixtures have been investigated by means of a set of molar excess functions: enthalpies, volumes, isobaric heat capacities, or entropies; and considering internal pressure, liquid-liquid equilibria or permittivity data. In addition, the mentioned systems have been studied using the Flory model and the concentration-concentration structure factor formalism. The mixtures under consideration are characterized by dipolar interactions and by homocoordination (that is, by interactions between like molecules). In systems with a given solvent, dipolar interactions are weakened in the order: propylene carbonate (PC) > dimethyl carbonate (DMC) > diethyl carbonate (DEC). Comparison of mixtures containing DMC or DEC with those involving 2-propanone or 3-pentanone shows that dipolar interactions are not determined merely by values of the dipole moment, but they also depend on the group size. The enthalpies of the alkanol-carbonate interactions have been evaluated from calorimetric data. They are stronger in DMC solutions and become weaker when the alcohol size increases in mixtures with a given carbonate. Application of the Flory model to 43 systems of the type 1-alkanol + carbonate provides a mean relative standard deviation for excess molar enthalpy equal to 0.107. Results reveal that orientational effects decrease in the order DEC > PC > DMC. Orientational effects are particularly relevant in methanol or ethanol + DEC mixtures. Interestingly, the mentioned effects are weaker in 1-alkanol + DMC mixtures than in DMC + alkane systems. A similar trend is observed in DEC solutions when the considered alcohol is longer than ethanol. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_15210 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Orientational effects in mixtures of organic carbonates with alkanes or 1-alkanols González, Juan Antonio Hevia, Fernando Tristán, Cristina Alonso de la Fuente, Isaías García Cobos, José Carlos Chemical Physics Interactions and structure of organic carbonate + alkane, and 1-alkanol + organic carbonate mixtures have been investigated by means of a set of molar excess functions: enthalpies, volumes, isobaric heat capacities, or entropies; and considering internal pressure, liquid-liquid equilibria or permittivity data. In addition, the mentioned systems have been studied using the Flory model and the concentration-concentration structure factor formalism. The mixtures under consideration are characterized by dipolar interactions and by homocoordination (that is, by interactions between like molecules). In systems with a given solvent, dipolar interactions are weakened in the order: propylene carbonate (PC) > dimethyl carbonate (DMC) > diethyl carbonate (DEC). Comparison of mixtures containing DMC or DEC with those involving 2-propanone or 3-pentanone shows that dipolar interactions are not determined merely by values of the dipole moment, but they also depend on the group size. The enthalpies of the alkanol-carbonate interactions have been evaluated from calorimetric data. They are stronger in DMC solutions and become weaker when the alcohol size increases in mixtures with a given carbonate. Application of the Flory model to 43 systems of the type 1-alkanol + carbonate provides a mean relative standard deviation for excess molar enthalpy equal to 0.107. Results reveal that orientational effects decrease in the order DEC > PC > DMC. Orientational effects are particularly relevant in methanol or ethanol + DEC mixtures. Interestingly, the mentioned effects are weaker in 1-alkanol + DMC mixtures than in DMC + alkane systems. A similar trend is observed in DEC solutions when the considered alcohol is longer than ethanol. |
| title | Orientational effects in mixtures of organic carbonates with alkanes or 1-alkanols |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2409.15210 |