Effect of Alkyl Chain Length of Quaternary Ammonium Surfactant Corrosion Inhibitor on Fe (110) in Acetic Acid Media via Computer Simulation

Effect of Alkyl Chain Length of Quaternary Ammonium Surfactant Corrosion Inhibitor on Fe (110) in Acetic Acid Media via Computer Simulation

Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate the inhibition mechanism of cationic quaternary ammonium surfactant corrosion inhibitors (CIs) with varying chain lengths in 1.0 M HCl and 500 ppm acetic acid on Fe (110) surfaces. DFT calculations d...

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Bibliographic Details
Published in:CHEMENGINEERING
Main Authors: Numin, Mohd Sofi; Jumbri, Khairulazhar; Eng, Kee Kok; Hassan, Almila; Borhan, Noorazlenawati; Daud, Nik M. Radi Nik M.; Nor, A. Azmi M.; Suhor, Firdaus; Dzulkifli, Nur Nadia
Format: Article
Language:English
Published: MDPI 2025
Subjects:
Engineering
Online Access:https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001429670900001

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https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001429670900001

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