Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.584-13-4, Name is 4H-1,2,4-Triazol-4-amine, SMILES is C1=NN=C[N]1N, belongs to Triazoles compound. In a document, author is Nahle, A., introduce the new discover, Computed Properties of C2H4N4.
Novel triazole derivatives as ecological corrosion inhibitors for mild steel in 1.0 M HCl: experimental & theoretical approach
The present paper illustrates the investigation of two novel ecological triazole derivative corrosion inhibitors, namely ethyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl) acetate [Tria-CO2Et], and 2-(4-phenyl-1H-1,2,3-triazol-1-yl) acetohydrazide [Tria-CONHNH2]. The studied inhibitors were investigated against the corrosion of mild steel in 1.0 M HCl solution using different electrochemical techniques. Potentiodynamic polarization experiments indicated that the [Tria-CO2Et], and the [Tria-CONHNH2] acted as mixed type inhibitors. Electrochemical impedance spectroscopy measurements revealed that both inhibitors presented a high inhibition performance, achieving an inhibition efficiency of 95.3% for [Tria-CO2Et] and 95.0% for [Tria-CONHNH2] at a concentration of 1.0 x 10(-3) M. Based on the Langmuir isotherm model and the activation parameters, these triazole derivatives were adsorbed onto a steel surface by physical and chemical bonds. Density functional theory based on B3LYp6-311G(d,p) was also carried out to correlate the inhibition efficiencies obtained experimentally with the theoretical descriptors of the studied molecular structures.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 584-13-4 is helpful to your research. Computed Properties of C2H4N4.