Molecular modelling of compounds used for corrosion inhibition studies: a review
Molecular modelling of organic compounds using computational software has emerged as a
powerful approach for theoretical determination of the corrosion inhibition potential of …
powerful approach for theoretical determination of the corrosion inhibition potential of …
[HTML][HTML] Amino acids and their derivatives as corrosion inhibitors for metals and alloys
B El Ibrahimi, A Jmiai, L Bazzi, S El Issami - Arabian Journal of Chemistry, 2020 - Elsevier
In the last two decades, research in the field of corrosion inhibitors had been directed toward
the goal of using cheap effective molecules of low or non-negative environmental impact to …
the goal of using cheap effective molecules of low or non-negative environmental impact to …
[HTML][HTML] Molecular modeling of organic corrosion inhibitors: Calculations, pitfalls, and conceptualization of molecule–surface bonding
A Kokalj - Corrosion Science, 2021 - Elsevier
Molecular modeling of corrosion inhibitors has gained momentum in the last decade. This
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
Corrosion inhibition of mild steel by two new S-heterocyclic compounds in 1 M HCl: experimental and computational study
The inhibition ability of a new S-heterocyclic Schiff base (SB) and the corresponding amine
(DBTDA) towards mild steel corrosion in HCl solution was studied at various concentrations …
(DBTDA) towards mild steel corrosion in HCl solution was studied at various concentrations …
Adsorption and corrosion inhibition of new synthesized thiophene Schiff base on mild steel X52 in HCl and H2SO4 solutions
Abstract (NE)-N-(thiophen-3-ylmethylidene)-4-({4-[(E)-(thiophen-2-ylmethylidene) amino]
phenyl} m-ethyl) aniline (L) was synthesized and its inhibiting action on the corrosion of mild …
phenyl} m-ethyl) aniline (L) was synthesized and its inhibiting action on the corrosion of mild …
Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1 M HCl
The abilities of phthalazine derivatives, including phthalazine (PT), phthalazone (PTO) and
phthalhydrazide (PTD), to inhibit the corrosion of mild steel in 1M HCl at 30° C were studied …
phthalhydrazide (PTD), to inhibit the corrosion of mild steel in 1M HCl at 30° C were studied …
One-dimensional polymer of copper with salicylic acid and pyridine linkers: Synthesis, characterizations, solid state assembly investigation by hirshfeld surface …
A new one-dimensional polymeric copper complex [Cu (DNSA) py] with salicylic acid and
pyridine was synthesized and characterized by many techniques, including FT-IR, UV …
pyridine was synthesized and characterized by many techniques, including FT-IR, UV …
Adsorption and corrosion inhibition of Osmanthus fragran leaves extract on carbon steel
L Li, X Zhang, J Lei, J He, S Zhang, F Pan - Corrosion Science, 2012 - Elsevier
The adsorption and corrosion inhibition of Osmanthus fragran leaves extract (OFLE) on C-
steel in hydrochloric acid was investigated by potentiodynamic polarisation, electrochemical …
steel in hydrochloric acid was investigated by potentiodynamic polarisation, electrochemical …
Quantitative structure activity relationship and artificial neural network as vital tools in predicting coordination capabilities of organic compounds with metal surface: A …
It has been well-established that organic corrosion inhibitors often form protective film
through coordinate bonding with the metal. Different computational and experimental …
through coordinate bonding with the metal. Different computational and experimental …
4 (N, N-dimethylamino) benzaldehyde nicotinic hydrazone as corrosion inhibitor for mild steel in 1 M HCl solution: An experimental and theoretical study
Abstract 4 (N, N-dimethylamino) benzaldehyde nicotinic acid hydrazone is prepared and
investigated as corrosion inhibitor for mild steel in 1 M HCl using weight loss …
investigated as corrosion inhibitor for mild steel in 1 M HCl using weight loss …