Solvent influence on molecular interactions in the bulk of fluorene copolymer films

Author:

Dias Karina da Silva12345,Savedra Ranylson Marcello Leal12345ORCID,de Magalhães Carlos Eduardo Tavares12345,Siqueira Melissa Fabíola12345ORCID

Affiliation:

1. Department of Physics

2. MolSMat – Molecular Simulation of Materials

3. Laboratory of Computational Simulation (LabSimCo)

4. Federal University of Ouro Preto

5. Ouro Preto

Abstract

The effect of intermolecular interactions between the chains of the amorphous PFO–MEH-PPV films built from toluene and tetrahydrofuran (THF) were studied by atomistic molecular dynamics simulations, applying a successive solvent removal procedure.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Universidade Federal de Ouro Preto

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Instituto Nacional de Ciência e Tecnologia em Eletrônica Orgânica

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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