%0 Journal Article %1 WOS:000392164500005 %A Mendonca, Glaydson L F %A Costa, Stefane N %A Freire, Valder N %A Casciano, Paulo N S %A Correia, Adriana N %A de Lima-Neto, Pedro %C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND %D 2017 %I PERGAMON-ELSEVIER SCIENCE LTD %J CORROSION SCIENCE %K Amino Copper; Corrosion Electrochemistry; Molecular acid; inhibition; modelling} steel; {Carbon %P 41-55 %R 10.1016/j.corsci.2016.11.012 %T Understanding the corrosion inhibition of carbon steel and copper in sulphuric acid medium by amino acids using electrochemical techniques allied to molecular modelling methods %V 115 %X Six amino acids were evaluated as corrosion inhibitors for carbon steel and copper in 0.5 mol L-1 H2SO4 solution by potentiodynamic polarization and electrochemical impedance techniques allied to Density Functional Theory (DFT) and Monte Carlo computations The corrosion inhibitor rankings were: Arg >Gln >Asn >Met>Cys >Ser, for copper, and Met>Cys >Ser >Arg >Gln >Asn, for carbon steel. The DFT approach failed to explain the corrosion inhibition rating based on the HOMO and LUMO energies of the isolated amino acid molecules, while the simpler classical Monte Carlo approach, performed considering the interaction energies between the corrosion inhibitor and the metallic substrate, was successful. (C) 2016 Elsevier Ltd. All rights reserved.

@article{WOS:000392164500005, abstract = {Six amino acids were evaluated as corrosion inhibitors for carbon steel and copper in 0.5 mol L-1 H2SO4 solution by potentiodynamic polarization and electrochemical impedance techniques allied to Density Functional Theory (DFT) and Monte Carlo computations The corrosion inhibitor rankings were: Arg >Gln >Asn >Met>Cys >Ser, for copper, and Met>Cys >Ser >Arg >Gln >Asn, for carbon steel. The DFT approach failed to explain the corrosion inhibition rating based on the HOMO and LUMO energies of the isolated amino acid molecules, while the simpler classical Monte Carlo approach, performed considering the interaction energies between the corrosion inhibitor and the metallic substrate, was successful. (C) 2016 Elsevier Ltd. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, author = {Mendonca, Glaydson L F and Costa, Stefane N and Freire, Valder N and Casciano, Paulo N S and Correia, Adriana N and de Lima-Neto, Pedro}, biburl = {https://www.bibsonomy.org/bibtex/2b84dc2e849d909cb2904d7337a0258cf/ppgfis_ufc_br}, doi = {10.1016/j.corsci.2016.11.012}, interhash = {c07108d6f13cd093afa45dafcdbb0ac3}, intrahash = {b84dc2e849d909cb2904d7337a0258cf}, issn = {0010-938X}, journal = {CORROSION SCIENCE}, keywords = {Amino Copper; Corrosion Electrochemistry; Molecular acid; inhibition; modelling} steel; {Carbon}, pages = {41-55}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Understanding the corrosion inhibition of carbon steel and copper in sulphuric acid medium by amino acids using electrochemical techniques allied to molecular modelling methods}, tppubtype = {article}, volume = 115, year = 2017 }