Linked Life Data

17014124

Source:http://linkedlifedata.com/resource/pubmed/id/17014124

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
21
pubmed:dateCreated
2006-10-3
pubmed:abstractText
A combined computational and experimental approach is used to determine the interfacial thermodynamic and structural properties of the liquid 1,1,1,2-tetrafluoroethane (HFA134a)-vapor and liquid HFA134a-water (HFA134a|W) interfaces at 298 K and saturation pressure. Molecular dynamics (MD) computer simulations reveal a stable interface between HFA134a and water. The "10-90" interfacial thickness is comparable with those typically reported for organic-water systems. The interfacial tension of the HFA134a|W interface obtained from the pressure tensor analysis of the MD trajectory is in good agreement with the experimental value determined using in situ high-pressure tensiometry. These results indicate that the potential models utilized are capable of describing the intermolecular interactions between these two fluids. The tension of the HFA134a|W interface is significantly lower than those typically observed for conventional oil-water interfaces and similar to that of the compressed CO(2)-water interface, observed at moderate CO(2) pressures. The MD and tensiometric results are also compared and contrasted with the HFA134a|W and chlorofluorocarbon-water tension values estimated from a parametric relationship. This represents the first report of the interfacial and microscopic properties of the (propellant) hydrofluoroalkanes (HFA)|W interface. The results presented here are of relevance in the design of surfactants capable of forming and stabilizing water-in-HFA microemulsions. Reverse aqueous microemulsions in HFA-based pressurized metered-dose inhalers are candidate formulations for the systemic delivery of biomolecules to and through the lungs.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Oct
pubmed:issn
0743-7463
pubmed:author
pubmed:issnType
Print
pubmed:day
10
pubmed:volume
22
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
8826-30
pubmed:meshHeading
pubmed:year
2006
pubmed:articleTitle
Microscopic and thermodynamic properties of the HFA134a-water interface: atomistic computer simulations and tensiometry under pressure.
pubmed:affiliation
Department of Chemical Engineering and Materials Science, Wayne State University, Detroit, Michigan 48202, USA.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't