Partition coefficients of alkyl parabens and ibuprofen in micellar systems

Publikationstyp
Journal Article
Publikationsdatum
2010-11-26
Sprache
English
Author
Wille, Susanne 
Mokrushina, Liudmila 
Smirnova, Irina orcid-logo
Arlt, Wolfgang 
Institut
Thermische Verfahrenstechnik V-8 
TORE-URI
http://hdl.handle.net/11420/12654
Enthalten in
Chemical engineering & technology 
Volume
33
Issue
12
Start Page
2095
End Page
2101
Citation
Chemical Engineering and Technology 33 (12): 2095-2101 (2010-12-01)
Publisher DOI
10.1002/ceat.201000279
Scopus ID
2-s2.0-78649659517
Publisher
Wiley-VCH Verl.-Ges.
The partitioning of alkyl parabens and ibuprofen in aqueous solutions of nonionic and ionic surfactants is studied experimentally and via a priori predictions using the COSMO-RS model. The effects of organic (Bu4NBr) and inorganic (NaCl) electrolytes are examined. Addition of NaCl results in a slight increase in the partition coefficients of parabens in solutions of octylphenolpoly(ethyleneglycolether) and a more pronounced increase in the sodium dodecyl sulfate (SDS) system. The partition coefficients of ibuprofen increase on addition of NaCl to aqueous solutions of SDS and decrease if Bu4NBr is added to dodecyl trimethyl ammonium bromide (DTAB) solutions. Good agreement between experimental and calculated data shows a high potential of COSMO-RS in the prediction of micelle/water partition coefficients in the presence of electrolytes and makes it a valuable tool in drug and drug-carrier design as well as in optimizing micellar reactions or micelle-enhanced separation processes.
Schlagworte
COSMO-RS
Electrolytes
Micelle/water partition coefficients
Solubility measurements
Ultrafiltration
DDC Class
540: Chemie