Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Sylvain Goudeau"'
Publikováno v:
Journal of Polymer Science Part B: Polymer Physics. 43:871-885
A new analytical form for bond and angle potentials suitable for obtaining mesoscale effective force fields from target distributions is reported. Applications to realistic coarse-grained models of atactic polystyrene and polyamide-6,6 are described.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c72797c4b6ddba22c108af143f019fc
https://doi.org/10.1002/polb.20380
https://doi.org/10.1002/polb.20380
Publikováno v:
The Journal of Physical Chemistry B. 108:18779-18788
The local dynamics of water and its effect on the segmental mobility in the amorphous phase of polyamide 6,6 have been investigated. At 300 K and below, where the polymer segments undergo no significant motion (displacements below 2 A, no reorientati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c909df96ccc4979aaed86de2161d4df7
https://doi.org/10.1021/jp046461e
https://doi.org/10.1021/jp046461e
Publikováno v:
Macromolecules. 37:8072-8081
To understand, at a molecular scale, the effect of water on the structure of the amorphous region of polyamide 6,6 (PA6,6), atomistic molecular dynamics simulations have been carried out. Our results concerning the very local water organization relat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ce0e9866c567ac5a3070124e543d0e8
https://doi.org/10.1021/ma049848o
https://doi.org/10.1021/ma049848o
Autor:
Tomaso Zambelli, Sylvain Goudeau, Jérôme Lagoute, André Gourdon, Xavier Bouju, Sébastien Gauthier
Publikováno v:
ChemPhysChem; Sep2006, Vol. 7 Issue 9, p1917-1920, 4p