Baeurle, Stephan A. and Kroener, Juergen (2004) Modeling effective interactions of micellar aggregates of ionic surfactants with the Gauss-core potential. JOURNAL OF MATHEMATICAL CHEMISTRY, 36 (4). pp. 409-421. ISSN 0259-9791,
Full text not available from this repository. (Request a copy)Abstract
Micellar aggregates of ionic surfactants are known to possess a rich variety of interesting thermodynamic as well as structural properties, which are essentially dominated by simple effective interactions between the aggregates. Because of their technological relevance enormous efforts have been invested to understand and characterize their interactions in solution with the goal of developing substances with novel material's properties. On a theoretical level several approaches have been proposed to describe their effective interactions adequately, generally based on the DLVO theory. However, these approaches do not take into account aspects of stability of the aggregates and therefore fail in the description of several important characteristics, such as, e.g., the re-entrant behavior of the apparent molal heat capacity appearing with increasing density of the micelles. In this paper we study the effective interactions of these systems by investigating the suitability of the Gauss-core model, to reproduce the relevant thermodynamic properties. To this end, we discuss the Gauss-core model in comparison to the standard DLVO model and demonstrate its aptitude to reproduce the results from calorimetric experiments of the ionic surfactant sodium decanoate in water.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | HIGHLY ASYMMETRIC ELECTROLYTES; HEAT-CAPACITIES; COLLOIDAL SUSPENSIONS; AMMONIUM DECANOATE; INTEGRAL-EQUATION; CHARGED MACROIONS; MONTE-CARLO; SIMULATION; VOLUMES; WATER; aqueous suspensions of ionic surfactants; coarse-grained models; computer simulation |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Jul 2021 12:29 |
| Last Modified: | 05 Jul 2021 12:29 |
| URI: | https://pred.uni-regensburg.de/id/eprint/37402 |
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