Molecular Dynamics Model to Explore the Initial Stages of Anion Exchange involving Layered Double Hydroxide Particles.

Gerard Novell Leruth, Alena Kuznetsova, João Tedim, José R B Gomes, Tiago L P Galvão

Abstract read

In one paragraph

Article in Nanomaterials (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it

0cells of the map it votes in

1citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

Review of Layered Double Hydroxide (LDH) Nanosheets in Corrosion Mitigation: Recent Developments, Challenges, and Prospects.Materials (Basel, Switzerland) · 2025
Review

4 · The record

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PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Gerard Novell LeruthCICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal.

Alena KuznetsovaCICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal.ORCID 0000-0003-1831-6719

João TedimCICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal.ORCID 0000-0002-7584-4641

José R B GomesCICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal.ORCID 0000-0001-5993-1385

Tiago L P GalvãoCICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal.ORCID 0000-0002-0685-3675

Funding

European Commission Marie Skłodowska-Curie grant agreement ID 101007430 (COAT4LIFE)Fundação para a Ciência e Tecnologia CICECO-Aveiro Institute of Materials, UIDB/50011/2020, UIDP/50011/2020 & LA/P/0006/2020, fi-nanced by national funds through the FCT/MCTES (PIDDAC)Fundação para a Ciência e Tecnologia DataCor (POCI-01-0145-FEDER-030256 and PTDC/QUI-QFI/30256/2017)Fundação para a Ciência e Tecnologia NATURAL (CENTRO-01-0247-FEDER-047080)Fundação para a Ciência e Tecnologia PhD grant (SFRH/BD/89490/2012)

6 · The paper itself

Abstract

A classical molecular dynamics (MD) model of fully unconstrained layered double hydroxide (LDH) particles in aqueous NaCl solution was developed to explore the initial stages of the anion exchange process, a key feature of LDHs for their application in different fields. In particular, this study focuses on the active corrosion protection mechanism, where LDHs are able to entrap aggressive species from the solution while releasing fewer corrosive species or even corrosion inhibitors. With this purpose in mind, it was explored the release kinetics of the delivery of nitrate and 2-mercaptobenzothiazole (MBT, a typical corrosion inhibitor) from layered double hydroxide particles triggered by the presence of aggressive chloride anions in solution. It was shown that the delamination of the cationic layers occurs during the anion exchange process, which is especially evident in the case of MBT

Indexed as

anion exchangecorrosion inhibitordelaminationlayered double hydroxidesmolecular dynamicsself-healing

Identifiers

PMID36432324

DOI10.3390/nano12224039

PMCPMC9695576

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