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Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops

Autor
Casanovas Salas, Jordi; Canales, M.; Fabregat, G.; Aleman, C.; Meneguzzi, A.
Tipus d'activitat
Article en revista
Revista
Journal of physical chemistry B
Data de publicació
2012
Volum
116
Número
24
Pàgina inicial
7342
Pàgina final
7350
DOI
https://doi.org/10.1021/jp300426b Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/16707 Obrir en finestra nova
URL
http://pubs.acs.org/doi/full/10.1021/jp300426b Obrir en finestra nova
Resum
Interactions, in terms of both binding energies and microscopic organization, of water molecules absorbed by hydrophilic polyaniline emeraldine base have been investigated using quantum mechanical calculations, molecular dynamics simulation, FTIR spectroscopy, and 1H NMR. From an enthalpic point of view, water molecules interact more favorably with imine nitrogen atoms than with amine ones, even though the latter are entropically favored with respect to the former because of their two binding si...
Citació
Casanovas, J. [et al.]. Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops. "Journal of physical chemistry B", 2012, vol. 116, núm. 24, p. 7342-7350.
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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