Issue 26, 2018

Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

Abstract

We present molecular dynamics simulations of aqueous iron(II) systems in the presence of polyacrylic acid (PAA) under the extreme conditions that take place in the secondary coolant circuit of a nuclear power plant. The aim of this work is to understand how the oligomer can prevent iron(II) deposits, and to provide molecular interpretation. We show how, to this end, not only the complexant ability is necessary, but also the chain length compared to iron(II) concentration. When the chain is long enough, a hyper-complexation phenomenon occurs that can explain the specific capacity of the polymer to prevent iron(II) precipitation.

Graphical abstract: Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

Article information

Article type
Paper
Submitted
18 May 2018
Accepted
06 Jun 2018
First published
06 Jun 2018

Phys. Chem. Chem. Phys., 2018,20, 18056-18065

Preventing iron(II) precipitation in aqueous systems using polyacrylic acid: some molecular insights

P. Artola, B. Rousseau, C. Clavaguéra, M. Roy, D. You and G. Plancque, Phys. Chem. Chem. Phys., 2018, 20, 18056 DOI: 10.1039/C7CP02743E

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