Inhibitive performance of 4-Methoxyphenethylamine on low-carbon steel in 1 M hydrochloric acid: Kinetics, theoretical, and mathematical views

The current study looked at the inhibition performance of 4-Methoxyphenethylamine (MPTA) in 1 M HCl. Besides the experimental investigation, a theoretical and mathematical attempt to correlate some chemical characteristics and inhibitor efficacy was also made. The inhibiting effect was investigated by potentiodynamic polarization, electrochemical impedance spectroscopy, and weight loss techniques. Corrosion rate was evaluated as function of time, MPTA concentration, and temperature. The results show that MPTA suppressed both cathodic and anodic processes of low-carbon steel corrosion in acidic solution by adsorption on the surface, which followed a Langmuir adsorption isotherm. Maximum corrosion inhibition efficiency was 91% at 30 degrees C and 200 ppm. Kinetics studies revealed that the corrosion reaction was behaved according to the first order mechanism. Mathematical studies showed a high correlation coefficient was obtained between predicated and experimental corrosion rate. The 6-311G (d, p) base set and Density Functional Theory (DFT) were employed. MPTA's inhibitory capabilities were discovered to be connected to the charge on the nitrogen atom as well as the total of the net charges of the six atoms in the cyclic ring. MPTA was studied in a three states, ground state (1), oxygen protonated state (2), nitrogen protonated state (3). Physical characteristics such as dipole moment, hardness, ionization energy, and softness of MPTA and its protonated states were computed. Theoretical order of inhibitor efficiency was 2 > 3 > 1. It is concerned with an experimental, theoretical, and mathematical explanations between electronic and structural characteristics of MPTA and its inhibitor efficiency. (C) 2022 Elsevier B.V. All rights reserved.

Automated summary

The current study examined the inhibition performance of 4-Methoxyphenethylamine (MPTA) in 1 M HCl solution. Experimental investigations and theoretical and mathematical attempts were made to understand the relationship between chemical characteristics and inhibitor efficacy. Results showed that MPTA effectively suppressed the corrosion processes of low-carbon steel in acidic solution by adsorption on the metal surface, following a Langmuir adsorption isotherm. Theoretical analysis revealed that the inhibitory capabilities of MPTA were linked to the charge on the nitrogen atom and the net charges of the atoms in the cyclic ring.