Experimental and computational chemical studies on the cationic furanylnicotinamidines as novel corrosion inhibitors in aqueous solutions

作     者：Abdelaziz S.Fouda Mohamed A.Ismail Rabab M.Abou-shahba Walaa A.Husien Esraa S.EL-Habab Ashraf S.Abousalem Abdelaziz S.Fouda;Mohamed A.Ismail;Rabab M.Abou-shahba;Walaa A.Husien;Esraa S.EL-Habab;Ashraf S.Abousalem

作者机构：Department of ChemistryFaculty of ScienceEl-Mansoura UniversityEl-Mansoura 35516Egypt Department of ChemistryFaculty of ScienceAl-Azhar UniversityEgypt Quality Control LaboratoryOperation DepartmentJOTUNEgypt 

出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)

年 卷 期：2020年第28卷第2期

页      面：477-491页

核心收录：

学科分类：0710[理学-生物学] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 080503[工学-材料加工工程] 0817[工学-化学工程与技术] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

主　　题：Acid corrosion C-steel Furanylnicotinamidines Green inhibitor Computational chemical methods 

摘      要：The corrosion inhibition action of three newly synthesized furanylnicotinamidine derivatives namely: 6-[5-{4(dimethylamino)phenyl}furan-2-yl]nicotinamidine(MA-1256), 6-[5-(4-chlorophenyl)furan-2-yl]nicotinamidine(MA-1266), and 6-[5-{4-(dimethylamino)phenyl}furan-2-yl]nicotinonitrile(MA-1250) on carbon steel(C-steel) was investigated in 1.0 mol·L-1 HCl solution by weight loss(WL), potentiodynamic polarization(PP), electrochemical impedance spectroscopy(EIS), and electrochemical frequency modulation(EFM)techniques. Morphological analysis was performed on the uninhibited and inhibited C-steel using atomic force microscope(AFM) and Infrared Spectroscopy(ATR-IR) methods. The effect of temperature was studied and discussed. Inspection of experimental results revealed that the inhibition efficiency(IE) increases with the incremental addition of inhibitors and with elevating the temperature of the acid media. The adsorption of furanylnicotinamidine derivatives on C-steel follows Temkin’s isotherm. PP studies indicated that the investigated compounds act as mixed-type inhibitors and showed that p-dimethylaminophenyl furanylnicotinamidine derivative(MA-1256) was the most efficient inhibitor among the other studied derivatives with IE reached(95%)at 21 × 10-6 mol·L-1. MA-1266 is highly soluble in aqueous solution and has non-toxicity profile with LC50 N 37 mg·L-1. Thus, MA-1266 can be a promising green corrosion inhibitor candidate with IE N 91% at 21× 10-6 mol·L-1. The experiments were coupled with computational chemical theories such as quantum chemical and molecular dynamic methods. The experimental results were in good agreement with the computational outputs.