Mechanistic insight into adsorption and anti-corrosion capability of a novel surfactant-derived ionic liquid for mild steel in HCl medium

An electrochemical, and surface studies of synthesized Gemini ionic liquid as corrosion inhibitor for carbon steel in petroleum field

“…The study also observed that the (E corr ) readings exhibited fluctuations of less than 85 mV. The ionic liquid functions as an inhibitor of mixed-type primarily affecting the cathodic process, as evidenced by the simultaneous decrease in the densities of the cathodic and anodic currents 34,35 . Inhibitor-metal-surface contact, a mechanism whose efficacy increases with increasing inhibitor concentrations, provides insight into this phenomenon.…”

Principles and theories of green chemistry for corrosion science and engineering: design and application

“…In the current scenario, molecular-level simulation techniques such as molecular dynamics (MD) simulation and MC simulation are gaining high-level traction in the scientific community because of their meaningful molecular-level insight through a comparatively less time-consuming, less laborious, costeffective and greener approach. The MD simulation study provides details on the interaction energy (E int ), binding energy (E bind ), and molecular orientation on the metal surface, as calculated as follows (eqn ( 6) and ( 7)): [595][596][597]…”

“…In the current scenario, molecular-level simulation techniques such as molecular dynamics (MD) simulation and MC simulation are gaining high-level traction in the scientific community because of their meaningful molecular-level insight through a comparatively less time-consuming, less laborious, cost-effective and greener approach. The MD simulation study provides details on the interaction energy ( E int ), binding energy ( E bind ), and molecular orientation on the metal surface, as calculated as follows (eqn (6) and (7)): 595–597 E int = E T − ( E m+sol + E Inh ) E bind = − E int where E T is the total energy of the simulation system; E m+sol and E Inh denote the energy of the metal together with the corrosive solution and the energy of the inhibitor molecule, respectively. The more negative the value of E bind , the more significant the interaction of the inhibitor molecule with the investigated surface.…”