In an article, author is Obot, I. B., once mentioned the application of 290-37-9, Name is Pyrazine, molecular formula is C4H4N2, molecular weight is 80.09, MDL number is MFCD00006122, category is Pyrazines. Now introduce a scientific discovery about this category, HPLC of Formula: C4H4N2.
Experimental, DFT and QSAR models for the discovery of new pyrazines corrosion inhibitors for steel in oilfield acidizing environment
Eight (8) pyrazine derivatives were tested as mild steel corrosion inhibitors in a simulated oil field acidizing environment. Immersion tests and DFT calculations were adopted for the study. Immersion tests were carried out at 0.2 wt. % inhibitor concentration at 25 degrees C for a total duration of 24 h. The results showed that all the pyrazine derivatives tested protected the steel to various extents in the acid medium. Pyrazine carboxamide (Pyrazine E) exhibited the highest inhibition efficiency among the pyrazine derivatives investigated. The resulting molecular descriptors obtained from DFT calculations were correlated with the experimental inhibition efficiency to develop QSAR model. Multiple linear regression was utilized to correlate the inhibition efficiency with the molecular descriptors at a 95% confidence interval. This work revealed that the inhibition efficiencies of the studied pyrazine molecules were influenced by their ELUMO, dipole moment (DM) and the molecular volume (MV). Based on the QSAR model developed, four new pyrazine derivatives were designed, and their inhibition efficiencies predicted.
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