Corrosion inhibition performance of chromone-3-acrylic acid derivatives for low alloy steel with theoretical modeling and experimental aspects

The Synergistic Effect of Chloride Ion and 1,5-Diaminonaphthalene on the Corrosion Inhibition of Mild Steel in 0.5 M Sulfuric Acid: Experimental and Theoretical Insights.

“…The difference between the energy HOMO and LUMO is called ∆E gap , this parameter is very useful in the quantum chemistry and can be used to predict the stability of the formed complex, generally the decrease in the energy gap is related to an increase in the inhibition efficiency [8]. In the present study, it can be seen that, generally, the band gap energy of our inhibitor is higher compared to some of efficient corrosion inhibitors previously published [8,63], which can give us some explanation of the lower inhibition efficiency of tested compound. The number of transferred electrons (∆N) means also electron-donating ability, give us information of the ability of the inhibitor to donate electrons (if ∆N > 1), the positive value of this parameter is related to the ability of tested compound to donate electron to metal surface [20,21].…”

Effects of Cetyltrimethylammonium bromide on the Corrosion Inhibition of a Lead-free α-Brass by Sodium Gluconate in Sulfuric Acid

“…However, in many cases, these calculations fail to explain the inhibitormetal interaction since they do not consider the presence of the metal and the solvent. Therefore, it is imperative to search for a robust method for the modeling of inhibitor-metal interactions in the presence of water and corrosive particles to mimic the real experimental condition [24][25][26]. In this work, MD studies were accomplished using Materials Studio (MS) package [27] to gain insight at an atomic level into the interaction of SG/CTAB with Cu(111) and Zn(111) surfaces, which are the main constituent of α-brass, in a simulated sulfuric acid solution.…”

“…11 and 12 show the initial and final adsorption configurations of inhibitors on Zn(111) and Cu(111) surfaces. All simulations were run until the systems reached equilibrium and both the energy and temperature reached balance [41,42]. It can be observed from the results in Fig.s 11 and 12 that both inhibitor molecules i.e.…”

Investigation of the inhibitory-bactericidal effect of amidoamine-based inorganic complexes against microbiological and atmospheric corrosion

“…The inhibitory ability of an organic inhibitor is enhanced by the presence of hetero-adsorption active centers in the molecule such as sulfur (S), nitrogen (N) and oxygen (O) 5,6 . Inhibitor effi cacy depends on factors such as molecule size, adsorption type, metal complex formation, and adsorption ability of the inhibitor on the metal surface 7,8 . Previous studies show that adsorption on the surface of mild steel is mainly determined by physicochemical parameters such as the fl atness of the inhibitor system, the presence of multiple active adsorption centers with unpaired or π orbital, the electron density of the donor atom and the molecule size.…”