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

0557489 - ÚCHP 2023 RIV GB eng J - Journal Article
Díaz, Ch. - Soltau, M. - Lísal, Martin - Carbone, P. - Pagonabarraga, I.
Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations.
Physical Chemistry Chemical Physics. Roč. 24, č. 19 (2022), s. 11992-12001. ISSN 1463-9076. E-ISSN 1463-9084
EU Projects: European Commission(XE) 760907 - VIMPP
Grant - others:MC(ES) PGC2018- 098373-B-100 AEI/FEDER-EU; GC(ES) 2017SGR-884; SNSF(CH) 200021-175719
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * diblock copolymer * selective solvents
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access

The homogeneous covering of amphiphillic polymer molecules onto metallic surfaces is of great importance for corrosion inhibitor applications. Lyophillic side chains grafted onto a lyophobic backbone act as anchors that allow the molecule to absorb at the metallic surface preventing the exposure with the solvent. Coarse-grained simulations are used to study the sorption and conformation behaviour of amphiphillic grafted polymers for corrosion inhibition. The backbone insolubility is found to play a key role in the sorption and conformation behaviour in the dilute limit. For finite concentrations, moderate backbone solubility and moderate molecule concentrations achieve optimal surface coverage, while highly a lyophobic backbone leads to bulk-like structures as a consequence of aggregation.
Permanent Link: http://hdl.handle.net/11104/0331448