Molecular Differences between Hydrocarbon and Fluorocarbon Surfactants at the CO2/Water Interface

Autor:	Sandro R. P. da Rocha, Keith P. Johnston, Peter J. Rossky, Matthew T. Stone
Rok vydání:	2003
Předmět:	chemistry.chemical_classification Hydrocarbon chemistry Pulmonary surfactant Chemical engineering Materials Chemistry Organic chemistry Microemulsion Fluorocarbon Penetration (firestop) Physical and Theoretical Chemistry Surfaces Coatings and Films
Zdroj:	The Journal of Physical Chemistry B. 107:10185-10192
ISSN:	1520-5207 1520-6106
DOI:	10.1021/jp035422k
Popis:	Fundamental molecular understanding of surfactants at the CO2/water interface is lacking, especially in the context of the poor performance of hydrocarbon-based surfactants relative to fluorocarbons. We present computer simulations of a dichain fluorinated phosphate surfactant known to promote microemulsion formation and its hydrocarbon analogue which does not. Analysis of the computer simulation results shows that CO2 solvates both tails well. In fact, at equal area per surfactant, CO2 penetrates the hydrocarbon tails somewhat more than the fluorocarbon tails. Water is also found to penetrate the hydrocarbon surfactants to a greater extent than the fluorocarbon ones. This difference in penetration causes an unanticipated orientation of the headgroup in the fluorocarbons that promotes hydration and is absent in the hydrocarbon surfactant case. These results, combined with the structural analysis, lead us to infer that the poor performance of hydrocarbon surfactants is caused by their inability to effectiv...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f5d31a559dafac8c8e043cb4eaa3e528 https://doi.org/10.1021/jp035422k Zobrazit plný text záznamu