Version 1
: Received: 22 September 2024 / Approved: 23 September 2024 / Online: 23 September 2024 (12:48:28 CEST)
How to cite:
Müh, F. The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration. Preprints2024, 2024091769. https://doi.org/10.20944/preprints202409.1769.v1
Müh, F. The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration. Preprints 2024, 2024091769. https://doi.org/10.20944/preprints202409.1769.v1
Müh, F. The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration. Preprints2024, 2024091769. https://doi.org/10.20944/preprints202409.1769.v1
APA Style
Müh, F. (2024). The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration. Preprints. https://doi.org/10.20944/preprints202409.1769.v1
Chicago/Turabian Style
Müh, F. 2024 "The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration" Preprints. https://doi.org/10.20944/preprints202409.1769.v1
Abstract
A theory for the micelle formation of nonionic head-tail amphiphiles (detergents) in aqueous solutions is derived based on the traditional molecular thermodynamic modeling approach and a variant of Flory-Huggins theory that goes beyond lattice models. The theory is used to analyze experimental values for the critical micelle concentration of n-alkyl-ß-D-maltosides within a mass action model. To correlate those parts of the micellization free energy, that depend on the transfer of hydrophobic molecule parts into the aqueous phase, with molecular surfaces, known data for the solubility of alkanes in water are reanalyzed. The correct surface tension to be used in connection with the solvent excluded surface of the alky tail is 30 mN/m. This value is smaller than the measured surface tension of a macroscopic alkane-water interface, because the transfer free energy contains a contribution from the incorporation of the alkane or alkyl chain into water representing the change in free volume of the aqueous phase. Flory-Huggins theory works well, if one takes into account the difference in liberation free energy between micelles and monomers, which can be described in terms of the aggregation number as well as the thermal deBroglie wavelength and the free volume of the detergent monomer.
Chemistry and Materials Science, Physical Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
