Molecular dynamics simulation of reverse micelles in supercritical carbon dioxide

Citation
S. Salaniwal et al., Molecular dynamics simulation of reverse micelles in supercritical carbon dioxide, IND ENG RES, 39(12), 2000, pp. 4543-4554
Citations number
52
Categorie Soggetti
Chemical Engineering
Journal title
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN journal
08885885 → ACNP
Volume
39
Issue
12
Year of publication
2000
Pages
4543 - 4554
Database
ISI
SICI code
0888-5885(200012)39:12<4543:MDSORM>2.0.ZU;2-5
Abstract
We have studied surfactants and reverse micelles in supercritical carbon di oxide (SCO2) by molecular dynamics simulation using molecular potential mod els that we have developed for this purpose. In this work we present simula tion results suggesting how varying the surfactant molecular architecture a nd chemistry may affect the structure and properties of reverse micelles in SCO2. We focus on a dichain surfactant, (C7H15)(C7F15)CHSO4-Na+, which for ms reverse micelles with aqueous cores in SCO2.