Diblock copolymer bilayers as model for polymersomes: A coarse grain approach

This paper presents a new model for polymersomes developed using a poly(ethylene oxide)-poly(butadiene) diblock copolymer bilayer. The model is based on a coarse-grained approach using the MARTINI force field. Since no MARTINI parameters exist for poly(butadiene), we have refined these parameters us...

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Detalles Bibliográficos
Autores principales: Grillo, D.A., Albano, J.M.R., Mocskos, E.E., Facelli, J.C., Pickholz, M., Ferraro, M.B.
Formato: JOUR
Materias:
Block copolymers
Butadiene
Ethylene
Polyethylene oxides
Polymers
Quantum theory
Coarse grain model
Coarse grains
Coarse-grained approaches
Molecular dynamics simulations
Polymer units
Quantum-mechanical calculation
Self-assemble
Weight fractions
Molecular dynamics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v146_n24_p_Grillo
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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