Partition Coefficients of Itaconates in Aqueous-Micellar Solutions: Measurements and Predictions with COSMO-RS
Schwarze M, Volovych I, Wille S, Mokrushina L, Arlt W, Schomäcker R (2012)
Publication Status: Published
Publication Type: Journal article
Publication year: 2012
Journal
Publisher: ACS American Chemical Society
Book Volume: 51
Pages Range: 1846-1852
Journal Issue: 4
DOI: 10.1021/ie2006565
Abstract
The micelle-water partition coefficient K-MW is measured for itaconic acid and some of its esters for micellar solutions of the surfactants sodium dodecyl sulfate (SDS), cetyltrimethylammonium bromide (CTAB), and t-octylphenoxypolyethoxyethanol (Triton X-100). Additionally, K-MW is predicted using the conductor-like screening model for real solvents (COSMO-RS) and calculated from log K-MW-log K-OW relations. We find that, because of the increasing length of the alkyl chain in the ester, K-MW increases, and the COSMO-RS predicted values agree well with the experimental ones. Furthermore, COSMO-RS is used to screen the partitioning of the esters in micellar solutions of a homologous series of surfactants (NaCnS, n = 8-16). For hydrophobic solutes, we predicted an increase in K-MW with increasing n, while for less hydrophobic solutes, K-MW is constant.
Authors with CRIS profile
Liudmila Mokrushina
Lehrstuhl für Thermische Verfahrenstechnik
Wolfgang Arlt
Lehrstuhl für Thermische Verfahrenstechnik
Involved external institutions
Germany (DE)How to cite
APA:
Schwarze, M., Volovych, I., Wille, S., Mokrushina, L., Arlt, W., & Schomäcker, R. (2012). Partition Coefficients of Itaconates in Aqueous-Micellar Solutions: Measurements and Predictions with COSMO-RS. Industrial & Engineering Chemistry Research, 51(4), 1846-1852. https://dx.doi.org/10.1021/ie2006565
MLA:
Schwarze, Michael, et al. "Partition Coefficients of Itaconates in Aqueous-Micellar Solutions: Measurements and Predictions with COSMO-RS." Industrial & Engineering Chemistry Research 51.4 (2012): 1846-1852.
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