Molecular modeling study on inhibition performance of imidazolines for mild steel in CO 2 corrosion

Applied Surface Science

Volumn 256, Issue 14, 2010, Pages 4729-4733

  Liu, Jinxiang ^a   Yu, Weizhao ^a   Zhang, Jun ^a   Hu, Songqing ^a   You, Long ^a   Qiao, Guimin ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

Corrosion inhibitor; Imidazoline; Molecular modeling

Indexed keywords

BINDING ENERGY; CARBON DIOXIDE; CORROSION PREVENTION; LOW CARBON STEEL; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODELING; MOLECULES; QUANTUM CHEMISTRY; STEEL CORROSION;

ADSORPTION ENERGIES; EFFECTIVE APPROACHES; IMIDAZOLINES; INHIBITION PERFORMANCE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELING STUDIES; QUANTUM CHEMISTRY CALCULATIONS; QUANTUM CHEMISTRY METHODS;

CORROSION INHIBITORS;

EID: 77950596239     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.02.082     Document Type: Article

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