Linked Life Data

16486773

Source:http://linkedlifedata.com/resource/pubmed/id/16486773

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
2006-2-20
pubmed:abstractText
We use nonequilibrium molecular dynamics simulations to investigate the structural properties of an oriented melt of n-eicosane under steady-state planar elongational flow. The flow-induced structure was evaluated using the structure factor s(k) taken as the Fourier transform of the total pair correlation function g(r). We found that the equilibrium liquid structure factor is in excellent agreement with the one determined via x-ray diffraction. Moreover, a new x-ray diffraction experiment has been performed on a crystalline n-eicosane sample. The resulting intramolecular contribution to the structure factor was found to be in very good agreement with the simulated one at a high elongation rate, indicating the existence of a possible crystalline precursor structure.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0031-9007
pubmed:author
pubmed:issnType
Print
pubmed:day
27
pubmed:volume
96
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
037802
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
2006
pubmed:articleTitle
Structure formation under steady-state isothermal planar elongational flow of n-eicosane: a comparison between simulation and experiment.
pubmed:affiliation
Department of Chemical Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.
pubmed:publicationType
Journal Article, Comparative Study, Research Support, U.S. Gov't, Non-P.H.S., Research Support, Non-U.S. Gov't, Evaluation Studies, Validation Studies