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Molecular modelling insights into the performance of polymeric coatings containing active corrosion inhibitors

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  • Full or part time
    Dr F Siperstein
    Dr C Avendano
  • Application Deadline
    No more applications being accepted
  • Funded PhD Project (Students Worldwide)
    Funded PhD Project (Students Worldwide)

Project Description

Sustainable Coatings by International Design (SusCoRD) is a multi-disciplinary project which aims to, for the first time, connect a detailed scientific understanding of the mechanisms of coatings failure with state-of-the-art-machine learning to deliver a framework for the optimisation of protective coatings and nanocomposite materials. The project is a collaboration between the Universities of Manchester, Sheffield, Liverpool and our industrial partner AzkoNobel.

The aim of this PhD is to understand the mechanism of active inhibitor leaching from the coating and the formation of a protective layer on metallic surfaces that results from corrosion inhibitors leaching from polymeric coatings. Coatings can protect surfaces as a barrier that prevents the transport of water and ions, but when the coating is damaged, the metallic surface is exposed and susceptible for corrosion. Active corrosion protection is an effective way to protect metallic surfaces. When the coating is damaged, corrosion inhibitors are released to form a protective layer on the metal. The effectiveness of the coating then depends on the ability of the inhibitor to leach out of the coating, as well as the structure of the protective layer that was formed. In this work we want to model the transport of the inhibitor through the polymeric coating as well as the formation of the protective layer at an atomistic level, to extract kinetic parameters that can be used to describe the formation of the protective layer at a micrometer scale.

The proposed start date is September 2019 (there is some flexibility with the start date). The PhD duration is 3.5 years.

Applicants should have or expect to achieve at least a 2.1 honours degree in Chemical Engineering, Materials Science, Physics, Chemistry or related disciplines. A familiarity with molecular dynamics simulations and DFT calculations, as well as experience programming is a bonus.


Funding Notes

Funding: The project forms part of the “Prosperity Partnership” collaborative research award between EPSRC, AkzoNobel and the Universities of Manchester, Sheffield and Liverpool. Home fees will be paid (in 2019/2020 this is £4,327). The project is open to none EU and EU students but only home fees will be paid. Students will receive a stipend of a minimum of £16,000 per year.



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