Chemical Combination of 4-(4-Hydroxybut-2-ynyl) Pyridine and 3-Methylbenzenamine
to Construct an Effective Inhibitor: Theoretical and Practical Investigation
Abstract:A new inhibitor, N-m-benzylamine-4-(4-hydroxybut-2-ynyl) pyridinium bromide (designated as BAP) was designed and
synthesized. Quantum chemical calculation and molecular dynamics (MD) simulations manifested that BAP, a compound by
covalent combination of 4-(4-hydroxybut-2-ynyl) pyridine (HYP) and 3-methyl benzenamine (MBA), functioned better than
did the two moieties (HYP and MBA) for X70 steel corrosion inhibition. The corrosion inhibition investigation revealed that
the experiment outcome was in good consiste… Show more
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