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 …
Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights
The design and development of efficient corrosion inhibitors require inputs from a wide
variety of synthetic protocols, which is usually a time consuming and tedious process. The …
variety of synthetic protocols, which is usually a time consuming and tedious process. The …
Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L− 1 HCl medium …
Two hitherto unexplored double condensed Schiff bases, namely, 4-(4-((Pyridin-2-yl)
methyleneamino) phenoxy)-N-((pyridin-2-yl) methylene) benzenamine (PMB) and 4-(4-(4 …
methyleneamino) phenoxy)-N-((pyridin-2-yl) methylene) benzenamine (PMB) and 4-(4-(4 …
Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional …
Synthesis of challenging corrosion inhibitors is of prime importance to inhibit hydrogen-
induced and localised metallic corrosion occur in the corrosive acidic solution. In this regard …
induced and localised metallic corrosion occur in the corrosive acidic solution. In this regard …
Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: Outlooks from experimental and computational …
Diglycidyl amino benzene (DGAB) epoxy prepolymer was investigated using Fourier
transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy. Then, we …
transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy. Then, we …
Potential of Borage flower aqueous extract as an environmentally sustainable corrosion inhibitor for acid corrosion of mild steel: electrochemical and theoretical …
The presence of numerous active compounds like lactic acid, nicotinic acid, and carotene in
the Borage flower extract (BFE) converted it to a potent source of powerful sustainable …
the Borage flower extract (BFE) converted it to a potent source of powerful sustainable …
Combined atomic-scale/DFT-theoretical simulations & electrochemical assessments of the chamomile flower extract as a green corrosion inhibitor for mild steel in HCl …
This investigation parallels the others hoping to address the environmental predicaments.
Dealing with the corrosion progression of steel, being in battle with a harsh condition (HCl) …
Dealing with the corrosion progression of steel, being in battle with a harsh condition (HCl) …
Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach
In order to evaluate the effect of the functional group present in the ligand backbone towards
corrosion inhibition performances, three Schiff-base molecules namely,(E)-4-((2-(2, 4 …
corrosion inhibition performances, three Schiff-base molecules namely,(E)-4-((2-(2, 4 …
Insights into the uses of two azine decorated d10-MOFs for corrosion inhibition application on mild steel surface in saline medium: Experimental as well as theoretical …
Recently, the use of metal–organic frameworks (MOFs) as an efficient corrosion inhibitor has
been focused on due to their unique excellent properties such as being rich in π-electron …
been focused on due to their unique excellent properties such as being rich in π-electron …
Molecular-MD/atomic-DFT theoretical and experimental studies on the quince seed extract corrosion inhibition performance on the acidic-solution attack of mild-steel
AR Shahmoradi, N Talebibahmanbigloo… - Journal of Molecular …, 2022 - Elsevier
Due to the more and more attention to environmental issues in recent years, the employment
of eco-friendly corrosion inhibitors is the main topic of most studies. In this matter, the quince …
of eco-friendly corrosion inhibitors is the main topic of most studies. In this matter, the quince …