Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations

Author:

Díaz Javier1ORCID,Soltau Marko2,Lísal Martin34ORCID,Carbone Paola5ORCID,Pagonabarraga Ignacio167ORCID

Affiliation:

1. CECAM, Centre Européen de Calcul Atomique et Moléculaire, École Polytechnique Fédérale de Lausanne, Batochime - Avenue Forel 2, Lausanne, 1015, Switzerland

2. Straetmans High TAC GmbH, Hamburg, Germany

3. Department of Molecular and Mesoscopic Modelling, The Czech Academy of Sciences, Institute of Chemical Process Fundamentals, Prague, Czech Republic

4. Department of Physics, Faculty of Science, Jan Evangelista Purkyně University in Úst nad Labem, Czech Republic

5. Department of Chemical Engineering, The University of Manchester, Oxford Road, M13 9PL, Manchester, UK

6. Departament de Física de la Matèria Condensada, Universitat de Barcelona, Martí i Franquès 1, Barcelona, 08028, Spain

7. Universitat de Barcelona Institute of Complex Systems (UBICS), Universitat de Barcelona, Barcelona, 08028, Spain

Abstract

Dissipative particle dynamics are used to study the conformation and adsorption behaviour of amphiphilic grafted polymers at surfaces. Various morphologies are identified depending on the chemical interactions, grafting density and concentration.

Funder

H2020 European Research Council

European Regional Development Fund

Ministerio de Ciencia, Innovación y Universidades

Generalitat de Catalunya

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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