Molecular dynamic and quantum chemical calculations for phthalazine derivatives as corrosion inhibitors of mild steel in 1M HCl

The Impact of Drugs as Corrosion Inhibitors on Aluminum Alloy in Coastal-Acidified Medium

“…In extraction the oil, chemical and processing industries, the use of corrosion inhibitors are usually considered to be the primary line of protection. Therefore, a large numbers of scientific research have been concentrated to the issue of corrosion inhibitors [24][25][26][27][28][29]. Table 1 shows application of corrosion inhibitors in some specific system environment.…”

Inhibition of the corrosion of carbon steel in HCl solution by methionine and its derivatives

“…binding adsorption E E   (12) where E total is the total potential energy of the system; E surface+solution and E inhibitor+solution are Page 14 of 31 A c c e p t e d M a n u s c r i p t 14 the potential energies of the system without the inhibitor and the system without the CS surface, respectively; and E solution is the potential energy of all of the water molecules. The calculated binding energies and experimental inhibition efficiencies are listed in Table 6.…”

“…In addition, many researchers have studied the inhibition mechanism of L-methionine with respect to its quantum chemical properties and adsorption behavior using Gaussian Page 3 of 31 A c c e p t e d M a n u s c r i p t 3 03 W and Materials Studio 5.0 [12][13][14] . Quantum chemical calculations showed that the quality of self-assembled films is related to the structural properties of the self-assembled molecules [15,16] .…”

5-Bromophthalazine hemihydrate

“…Phthalazine derivatives have played an important role in the development of corrosion science as they can inhibit the corrosion of mild steel (Musa et al, 2012). Moreover, they are of particular interest owing to their biological activity and optical properties (Caira, et al, 2011).…”