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<p>Nine novel trioctylamine (TOA)-based hydrophobic deep eutectic solvents (HDESs) were studied using oleic, palmitic, and stearic acids as hydrogen bond donors (HBDs) at various molar ratios. COSMO-RS analysis (sigma surfaces, profiles, and potentials) was employed to elucidate the roles of hydrogen bond acceptors (HBAs) and donors (HBDs) in hydrogen bond formation, rather than to predict physicochemical properties. Six eutectic mixtures were experimentally validated and characterized by FTIR and <sup>1</sup>H NMR spectroscopy. DSC confirmed eutectic formation through melting point depression consistent with computed SLE phase diagram from COSMO-RS. TOC analysis has confirmed good mutual stability of our HDES systems with solvent percentage loss ranging from 0.00181–0.00392&#xa0;vol.% suggesting their good hydrophobicity behavior. Hydrophobicity was mainly governed by HBD alkyl chain length, with palmitic-acid-based HDESs showing the highest water contact angle and stearic-acid-based systems the lowest. Molar ratio exhibited negligible influence on hydrophobicity. All HDESs reported viscosity and density of 19.73–63.61&#xa0;mPa.s and density 0.8323–0.8664&#xa0;g·cm⁻<sup>3</sup> respectively with both properties decreased with temperature. Solvatochromic results indicated broad polarity, while thermogravimetric analysis showed high thermal stability (onset: 219.86–234.03&#xa0;°C). Overall, the findings highlight that hydrogen bonding strength, dictated by the structural nature of HBA and HBD and their formulations, governs the formation and properties of TOA-based HDESs.</p>

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Preparation and physicochemical properties of novel tri octylamine-based hydrophobic deep eutectic solvents

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月25日

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  • Liyana Syamimi Zulkifli,
  • Hanee Farzana Hizaddin,
  • Ninie Suhana Abdul Manan

摘要

Nine novel trioctylamine (TOA)-based hydrophobic deep eutectic solvents (HDESs) were studied using oleic, palmitic, and stearic acids as hydrogen bond donors (HBDs) at various molar ratios. COSMO-RS analysis (sigma surfaces, profiles, and potentials) was employed to elucidate the roles of hydrogen bond acceptors (HBAs) and donors (HBDs) in hydrogen bond formation, rather than to predict physicochemical properties. Six eutectic mixtures were experimentally validated and characterized by FTIR and 1H NMR spectroscopy. DSC confirmed eutectic formation through melting point depression consistent with computed SLE phase diagram from COSMO-RS. TOC analysis has confirmed good mutual stability of our HDES systems with solvent percentage loss ranging from 0.00181–0.00392 vol.% suggesting their good hydrophobicity behavior. Hydrophobicity was mainly governed by HBD alkyl chain length, with palmitic-acid-based HDESs showing the highest water contact angle and stearic-acid-based systems the lowest. Molar ratio exhibited negligible influence on hydrophobicity. All HDESs reported viscosity and density of 19.73–63.61 mPa.s and density 0.8323–0.8664 g·cm⁻3 respectively with both properties decreased with temperature. Solvatochromic results indicated broad polarity, while thermogravimetric analysis showed high thermal stability (onset: 219.86–234.03 °C). Overall, the findings highlight that hydrogen bonding strength, dictated by the structural nature of HBA and HBD and their formulations, governs the formation and properties of TOA-based HDESs.