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- W3109887951 abstract "Experimental and computational study of the interactions between paracetamol and amino acid based ionic liquids ILs; [Ch][Gly], [Ch][L-Ala], and [Ch][L-Val] have been carried out in aqueous media at temperature range (298.150–313.150) K. In the experimental section, the density and speed of sound for ternary solutions containing (ILs + H2O + Paracetamol) have measured, and the standard partial molar volume and partial molar isentropic compressibility have evaluated trough Redlich-Mayer equation. Also, the standard apparent molar expansibility has been obtained for paracetamol in the studied solutions to find out parameters influences the volume, and clearly the temperature and size of anion are dominant factors. So that, the volume of the paracetamol increases with increasing anion size by rising temperature. The Hepler constant has evaluated from temperature derivation of the standard apparent molar expansibility, and is used to describe the structure making or breaking tendency of the paracetamol in the studied solutions. The decrease in the negative values of ΔtrVϕ0, and increase in ΔtrKϕ0 values with an increase in the AA-ILs concentration indicates that the nonpolar – nonpolar and polar - nonpolar interactions between the API-IL and amino acid are dominant. The SPT theory was used to compare the standard partial molar volume contribution, which results show that the obtained values are in good agreement with the experimental data. Finally, Gaussian analysis was used to calculate the interaction energies of the systems in the specified structure." @default.
- W3109887951 created "2020-12-07" @default.
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- W3109887951 date "2021-04-01" @default.
- W3109887951 modified "2023-10-16" @default.
- W3109887951 title "Thermodynamic and computational study of paracetamol in aqueous solutions of some sustainable amino acid-based ionic liquids" @default.
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- W3109887951 doi "https://doi.org/10.1016/j.jct.2020.106348" @default.
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