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 …
Pyridinium-based ionic liquids as novel eco-friendly corrosion inhibitors for mild steel in molar hydrochloric acid: Experimental & computational approach
Abstract Two ionic liquids (ILs),(E)-4-(2-(4-fluorobenzylidene) hydrazinecarbonyl)-1-
propylpyridin-1-ium iodide (Ipyr-C 3 H 7) and (E)-4-(2-(4-fluorobenzylidene) …
propylpyridin-1-ium iodide (Ipyr-C 3 H 7) and (E)-4-(2-(4-fluorobenzylidene) …
[HTML][HTML] Experimental, DFT and theoretical corrosion study for 4-(((4-ethyl-5-(thiophen-2-yl)-4H-1, 2, 4-triazole-3-yl) thio) methyl)-7, 8-dimethyl-2H-chromen-2-one
Abstract In this work, 4-(((4-ethyl-5-(thiophen-2-yl)-4H-1, 2, 4-triazole-3-yl) thio) methyl)-7, 8-
dimethyl-2H-chromen-2-one was synthesized by acetone-mediated condensation of 4 …
dimethyl-2H-chromen-2-one was synthesized by acetone-mediated condensation of 4 …
Quantum chemical and Monte Carlo simulation studies on inhibition performance of caffeine and its derivatives against corrosion of copper
Performance tests on caffeine's corrosion inhibition properties and their derivatives against
copper corrosion have been previously reported experimentally using gravimetric and …
copper corrosion have been previously reported experimentally using gravimetric and …
[HTML][HTML] Characterization and inhibitor activity of two newly synthesized thiazole
Abstract Two noel derivatives of (4-(3-methyl-3-(5, 6, 7, 8-tetrahydronaphthalen-2 yl)
cyclobutyl) thiazol-2-yl) glycine and of 2-chloro-N-(4-(3-methyl-3-(5, 6, 7, 8 …
cyclobutyl) thiazol-2-yl) glycine and of 2-chloro-N-(4-(3-methyl-3-(5, 6, 7, 8 …
Synthesis of polar unique 3d metal-imine complexes of salicylidene anthranilate sodium salt. Homogeneous catalytic and corrosion inhibition performance
Abstract Three polar Ni (II)-, Cu (II)-and Zn (II)-complexes (M-SSA) of salicylidene
anthranilate sodium salt ligand were synthesized. The ligand (H 2 SSA) and its …
anthranilate sodium salt ligand were synthesized. The ligand (H 2 SSA) and its …
[PDF][PDF] Synthesis, characterization and theoretical determination of corrosion inhibitor activities of some new 4, 5-dihydro-1H-1, 2, 4-Triazol-5-one derivatives
Abstract Nine novel {bis-4-[(3-alkyl-5-oxo-1H-1, 2, 4-triazol-4 (5H)-yl)-iminomethyl]-
phenyl}[1, 1′-biphenyl]-4, 4′-disulfonates were synthesized and their structures were …
phenyl}[1, 1′-biphenyl]-4, 4′-disulfonates were synthesized and their structures were …
Electrochemical studies of monoterpenic thiosemicarbazones as corrosion inhibitor for steel in 1 M HCl
We have studied the inhibitory effect of some Monoterpenic Thiosemicarbazones on steel
corrosion in 1 M HCl solution. The potentiodynamic polarization and electrochemical …
corrosion in 1 M HCl solution. The potentiodynamic polarization and electrochemical …
The anti-corrosive behavior of benzo-fused N-heterocycles: an in silico study toward developing organic corrosion inhibitors
MM El-Hendawy, AM Kamel… - Physical Chemistry …, 2022 - pubs.rsc.org
The work provides a computational protocol to predict the anti-corrosive performance of
organic molecules through three successive phases of calculations; electron propagator …
organic molecules through three successive phases of calculations; electron propagator …
In Silico approaches for some sulfa drugs as eco-friendly corrosion inhibitors of iron in aqueous medium
This paper addresses the prediction of the adsorption behavior as well as the inhibition
capacity of non-toxic sulfonamide-based molecules, also called sulfa drugs, on the surface …
capacity of non-toxic sulfonamide-based molecules, also called sulfa drugs, on the surface …