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Hydrophile-lipophile balance of alkyl ethoxylated surfactants as a function of intermolecular energies

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Summary

The semiempirical MNDO method has been used in order to examine the variation of the molecular properties of hydrocarbons CnH2n+2 (with 1≤n≤19) and ethylene oxide chains CH3(CH2CH2O)mCH3 (with 1≤m≤19) as a function of their molecular length. Least-square fits of those properties have been calculated, along with two mathematical relations between the hydrophile-lipophile balance of alkyl-phenol ethoxylated surfactants and (1) the ratio of molecular lengths between their lipophilic and hydrophilic branches; (2) the intermolecular energies between the molecules of surfactant, water and hexane.

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Authors and Affiliations

  1. Departamento de Química del Petróleo, Sección Físicoquímica, INTEVEP S.A., P.O. Box 76343, 1070 A, Caracas, Venezuela

    German Urbina-Villalba, Estrella Rogel, Maria Lupe Márquez & Isaac Reif

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  1. German Urbina-Villalba
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  2. Estrella Rogel
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  3. Maria Lupe Márquez
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  4. Isaac Reif
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Urbina-Villalba, G., Rogel, E., Márquez, M.L. et al. Hydrophile-lipophile balance of alkyl ethoxylated surfactants as a function of intermolecular energies. J Computer-Aided Mol Des 8, 273–282 (1994). https://doi.org/10.1007/BF00126745

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