Experimental and DFT studies on micellization features of anionic surface active ionic liquid and nonionic surfactant mixtures: Effect of imidazolium cations

Hu, Kehui; Ouyang, Mai; Zhang, Huiwen; Kong, Mengke; Wang, Guowei; Zhuang, Linghua

doi:10.1016/j.molstruc.2021.132284

Cited by 5 publications

(1 citation statement)

References 63 publications

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“…The MES-A2 system, which contains the fewest hydrogen bonds, has the lowest absolute binding energy of −145.983 kJ/mol. This indicates that MES easily interacts with A1, and the system is the most stable, 51 further confirming the role of hydrogen bonding in micelle formation.…”

Section: H Nmr Spectramentioning

confidence: 57%

Recognizing Functional Groups of MES/APG Mixed Surfactants for Enhanced Solubilization toward Benzo[a]pyrene

Wu,

Liu,

Wang

et al. 2024

Environ. Sci. Technol.

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Benzo[a]pyrene is difficult to remove from soil due to its high octanol/water partition coefficient. The use of mixed surfactants can increase solubility but with the risk of secondary soil contamination, and the compounding mechanism is still unclear. This study introduced a new approach using environmentally friendly fatty acid methyl ester sulfonate (MES) and alkyl polyglucoside (APG) to solubilize benzo[a]pyrene. The best result was obtained when the ratio of MES/APG was 7:1 under 6 g/L total concentration, with an apparent solubility (S w ) of 8.58 mg/L and a molar solubilization ratio (MSR) of 1.31 for benzo[a]pyrene, which is comparable to that of Tween 80 (MSR, 0.95). The mechanism indicates that the hydroxyl groups (−OH) in APG form "O−H•••OSO 2 − " hydrogen bonding with the sulfonic acid group (−SO 3 − ) of MES, which reduces the electrostatic repulsion between MES molecules, thus facilitating the formation of large and stable micelles. Moreover, the strong solubilizing effect on benzo[a]pyrene should be ascribed to the low polarity of ester groups (−COOCH 3 ) in MES. Functional groups capable of forming hydrogen bonds and having low polarity are responsible for the enhanced solubilization of benzo[a]pyrene. This understanding helps choose suitable surfactants for the remediation of PAH-contaminated soils.

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Section: H Nmr Spectramentioning

confidence: 57%