A computational study of the structure and behaviour of the aqueous mixed system sodium unsaturated carboxylate-dodecyltrimethylammonium bromide

M. L. FERREIRA; M. B. SIERRA; M. A. MORINI; P. C. SCHULZ

JOURNAL OF PHYSICAL CHEMISTRY B

American Chemical Society

Lugar: Washington; Año: 2006 vol. 110 p. 17600 - 17606

1089-5647

The surfactant mixed system sodium 10-undecenoate (SUD) – dodecyltrimethylammonium bromide (DTAB) was studied by computational simulation to determine the composition and structure of the mixed microstructures. Results were contrasted with experimental data obtained from literature and our own laboratory. The modellization predicts spherical or cylindrical micelles with a preferential composition of SUD:DTAB of about 1:2, while the system predicts a lamellar structure with a proportion 1:1 when SUD is replaced by the saturated soap sodium undecanoate. The model also predicts the inclusion of bromide ions in the micelle Stern layer. All predictions were in agreement with previous experimental results.