Understanding the adsorption of imidazo-pyrimidine derivative corrosion inhibitor at the P110 steel/CO2+H2S saturated simulated formation water interface: experimental and theoretical elucidation

Abstract

In order to improve energy safety and variation, sour gas reserves are important energy assets featuring a great deal of future growth possibilities. Nevertheless, due to its acidic character, sour gas manufacturing and utilization present significant difficulties. The available research shows that there aren't many effective environmental inhibitory compounds for sour medium due to conventional inhibitors frequently lead to ecological problems. The imidazo-pyrimidine derivative (IMPY), which is extremely degradable and excellent for inhibiting sour corrosion, was synthesized herein. The findings of the investigation showed that the inclusion of IMPY significantly decreased the rate of corrosion, with an inhibitory performance of 98.22 % at a dose of 75 mg/L. Chemical adsorption controls the inhibitory effectiveness, which is consistent to the Langmuir isotherms approach. Surfaces study (SEM, AFM, and SKP) showed that IMPY may have impeding properties. The atomic core of IMPY relationship was discovered by theoretical assessments, and docking research demonstrated its inhibiting capability towards proteins such as COVID-19, NADPH oxidase, xanthine oxidase, and Acidithiobacillus ferrooxidans (1H10).

The relative binding strengths indicate that IMPY has better xanthine oxidase inhibiting action. These outcomes demonstrate IMPY intriguing multifaceted qualities, establishing its status as a safe corrosion suppressor for P110 steel and suggesting possible uses in biomedicine. Additionally, the DFT and MD studies validate the quantitative outcomes and show a greater adhesion capability for IMPY.