Mixed micelles of sodium cholate and sodium dodecylsulphate 1: 1 binary mixture at different temperatures - Experimental and theoretical investigations

Balázs Jójárt, Mihalj Poša, Béla Fiser, Milán Szori, Zita Farkaš, B. Viskolcz

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12 Citations (Scopus)

Abstract

Micellisation process for sodium dodecyl sulphate and sodium cholate in 1:1 molar ratio was investigated in a combined approach, including several experimental methods and coarse grained molecular dynamics simulation. The critical micelle concentration (cmc) of mixed micelle was determined by spectrofluorimetric and surface tension measurements in the temperature range of 0-50°C and the values obtained agreed with each other within the statistical error of the measurements. In range of 0-25°C the cmc values obtained are temperature independent while cmc values were increased at higher temperature, which can be explained by the intensive motion of the monomers due to increased temperature. The evidence of existing synergistic effect among different constituent units of the micelle is indicated clearly by the interaction parameter (β1,2) calculated from cmc values according to Rubingh. As the results of the conductivity measurements showed the negative surface charges of the SDS-NaCA micelle are not neutralized by counterions. Applying a 10 ms long coarse-grained molecular dynamics simulation for system including 30-30 SDS and CA (with appropriate number of Na+ cations and water molecules) we obtained semi-quantitative agreement with the experimental results. Spontaneous aggregation of the surfactant molecules was obtained and the key steps of the micelle formation are identified: First a stable SDS core was formed and thereafter due to the entering CA molecules the size of the micelle increased and the SDS content decreased. In addition the size distribution and composition as well as the shape and structure of micelles are also discussed.

Original languageEnglish
Article numbere102114
JournalPLoS One
Volume9
Issue number7
DOIs
Publication statusPublished - Jul 8 2014

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Sodium Cholate
Micelles
micelles
Binary mixtures
Critical micelle concentration
Sodium
sodium
Temperature
temperature
Molecules
Molecular dynamics
molecular dynamics
Molecular Dynamics Simulation
Micellization
Computer simulation
Surface charge
Surface-Active Agents
Sodium Dodecyl Sulfate
Surface tension
Cations

ASJC Scopus subject areas

  • Agricultural and Biological Sciences(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Medicine(all)

Cite this

Mixed micelles of sodium cholate and sodium dodecylsulphate 1 : 1 binary mixture at different temperatures - Experimental and theoretical investigations. / Jójárt, Balázs; Poša, Mihalj; Fiser, Béla; Szori, Milán; Farkaš, Zita; Viskolcz, B.

In: PLoS One, Vol. 9, No. 7, e102114, 08.07.2014.

Research output: Contribution to journalArticle

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