Experimental and theoretical investigations of new Schiff base compound adsorption on aluminium in 1 M HCl

Abstract

The new Schiff base, 2,2'-((1Z,1'Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenyle­ne))bis­(me­tha­­nyl­­ylidene))bis(azanylylidene))diethanol, was investigated as a cor­ro­sion inhibitor of aluminium in 1 M HCl. Polarization and electrochemical impedance mea­surements were used for this purpose. Polarization curves showed that the compound is a mixed-type corrosion inhibitor. Also, the results showed an increase in inhibition efficiency as the concentration of the compound increased. The maximum corrosion inhibition effici­ency of approximately 81 % was reached at the concentration of 2 mg/L of the inhibitor. The results of the density functional theory method were consistent with the experimental results. The surface morphology of the samples was examined under atomic force microscopy.

Application of Taguchi method, response surface methodology, DFT calculation and molecular dynamics simulation into the removal of orange G and crystal violet by treated biomass

“…If the peak is observed between 1 and 3.5 Å, it suggests the involvement of a chemisorption process [ 65 , 70 ]. However, if the RDF peaks are at distances of more than 3.5 Å, this indicates the occurrence of a physisorption process [ 38 , 45 , 51 , 64 , 67 , 71 ]. In this scenario, when the RDF peak is between 1 and 3.5 Å, it indicates the likelihood of a chemisorption process.…”

The Effect of new reduced form of Schiff-base Ligands on corrosion inhibition of API 5L in seawater

“…The MC simulations were carried out by continually loading one inhibitor molecule (I1, I2, or I3) into a simulated cell, along with corrosive species such the following: H 2 O (800), Na + (5), Ca 2+ (2), Mg 2+ (2), and Cl - (13) and simulating the effects of these corrosive species using the Adsorption locator module in Material Studio. Because it was believed that this layer would include reasonable sites for the inhibitor molecule to adsorb, the target atoms for the MC simulation were speci cally selected from the very top layer of the Fe (110) slab.…”

“…Because sulfuric acid is more effective and affordable, it is utilized for acid cleaning, acid descaling, petrochemical etching, and industrial cleaning. Preventing metal corrosion is a key industrial challenge; in addition, using inhibitors to prevent metals from corrosion in acidic conditions is a possible option [8][9][10][11][12][13].…”