Formation of PS-b-P4VP/formic acid core-shell micelles in chloroform with different core densities
Article Abstract:
The results on the micellization of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP)/ formic acid (FA) complexes in chloroform and the characterization of the resultant aggregates are presented. The results show that even though the conventional micelles are commonly obtained aggregates via micellization of a block copolymer in its selective solvent, the micelles with a low-density core are novel core-shell nanoparticles, which have been rarely reported and are expected to have great potential applications.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Location of spectroscopic probes in self-aggregating assemblies. I. The case of 5-doxylstearic acid methyl ester serving as a benchmark spectroscopic probe to study micelles
Article Abstract:
A strategy to locate spectroscopic probes in micelles is presented that involves establishing a 'benchmark' probe and 5-doxylstearic acid methyl ester (5DSE) is described by the zero-order-model (ZOM) for S[N.sub.c]S, [N.sub.c] as well as for ammonium dodecyl sulfate (Am12S) micelles. The displacements are well correlated with the volume fraction of the polar shell occupied by water and departures from the ZOM as small as 0.2 Angstrom might also be detected.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations
Article Abstract:
Extensive theoretical investigation of formic acid deprotonation was carried out using Car-Parrinello and metadynamics simulations. The simulation process provides a different estimate of the free-energy difference, which gives barriers similar to that, obtained with the constrained free-energy calculations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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