Repositori institucional URV
Español Català English
TÍTOL:
Coarse-grained simulations of modified Jeffamine ED900 micelles - imarina:5132306

Autor/s de la URV:GARCIA DAZA, FABIÁN ALONSO / Mackie Walker, Allan Donald
Autor segons l'article:Garcia Daza, Fabian A; Mackie, Allan D
Adreça de correu electrònic de l'autor:allan.mackie@urv.cat
Identificador de l'autor:0000-0002-1819-7820
Any de publicació de la revista:2018
Tipus de publicació:Journal Publications
ISSN:08927022
Referència de l'ítem segons les normes APA:Garcia Daza, Fabian A; Mackie, Allan D (2018). Coarse-grained simulations of modified Jeffamine ED900 micelles. Molecular Simulation, 44(6), 470-477. DOI: 10.1080/08927022.2017.1405160
Referència a l'article segons font original:Molecular Simulation. 44 (6): 470-477
Resum:A coarse-grained model is presented for the gemini block copolymer surfactant C13H27CONH-PO3-EO12.5- PO3-NHCOC13H27, otherwise known by its trade name Jeffamine ED900Myr, used in the preparation of ordered mesoporous materials. From Single-Chain Mean-Field simulations, we find that the surfactant is able to form spherical micelles whose structure is qualitatively similar to experimental data. The critical micelle concentration, however, is orders of magnitude lower than the one reported experimentally. This discrepancy between calculated and experimental critical micelle concentrations has previously been observed for other strongly hydrophobic surfactant systems and suggests the presence of non-equilibrium effects in the experimental system. By taking the kinetic effects into account in the formation of themicelles, an apparent critical micelle concentration is found which is quantitatively similar to the experimental value.
DOI de l'article:10.1080/08927022.2017.1405160
Enllaç font original:https://www.tandfonline.com/doi/abs/10.1080/08927022.2017.1405160
Versió de l'article dipositat:info:eu-repo/semantics/submittedVersion
Departament:Enginyeria Química
URL Document de llicència:https://repositori.urv.cat/ca/proteccio-de-dades/
Àrees temàtiques:Química
Physics, atomic, molecular & chemical
Modeling and simulation
Medicina ii
Materials science (miscellaneous)
Materials science (all)
Materiais
Interdisciplinar
Information systems
General materials science
General chemistry
General chemical engineering
Farmacia
Engenharias iii
Engenharias ii
Condensed matter physics
Ciências biológicas ii
Ciências agrárias i
Chemistry, physical
Chemistry (miscellaneous)
Chemistry (all)
Chemical engineering (miscellaneous)
Chemical engineering (all)
Biotecnología
Astronomia / física
Paraules clau:Templating approach
Single chain mean field theory
Self-assembly
Micellization
Micelles
Mesoporous silica
Mean-field theory
Lattice model
Gemini surfactants
Copolymer surfactants
Coarse-grained model
Block copolymers
Amphiphiles
Aggregation behavior
Entitat:Universitat Rovira i Virgili
Data d'alta del registre:2024-10-12
Pàgina inicial:470
Pàgina final:477
Volum de revista:44
Cerca el teu registre a:

Fitxers disponibles
FitxerDescripcióFormat
DocumentPrincipalDocumentPrincipalapplication/pdf

Informació

© 2011 Universitat Rovira i Virgili