Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies

被引：28

作者：

Dagdag, Omar ^{[1
]}

Safi, Zaki ^{[3
]}

Qiang, Yujie ^{[4
]}

Erramli, Hamid ^{[2
]}

Guo, Lei ^{[5
]}

Verma, Chandrabhan ^{[6
,7
]}

Ebenso, Eno E. ^{[6
,7
]}

Kabir, Abuzar ^{[8
]}

Wazzan, Nuha ^{[9
]}

El Harfi, Ahmed ^{[1
]}

机构：

[1] Ibn Tofail Univ, Fac Sci, Dept Chem, LAPPE, BP 133, Kenitra 14000, Morocco

[2] Ibn Tofail Univ, Fac Sci, Dept Chem, Lab Mat Electrochem & Environm, BP 133, Kenitra 14000, Morocco

[3] Al Azhar Univ Gaza, Fac Sci, Chem Dept, POB 1277, Gaza, Palestine

[4] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Key Lab Marine Mat & Related Technol, Zhejiang Key Lab Marine Mat & Protect Technol, Ningbo 315201, Peoples R China

[5] Tongren Univ, Sch Mat & Chem Engn, Tongren 554300, Peoples R China

[6] North West Univ, Fac Nat & Agr Sci, Sch Chem & Phys Sci, Dept Chem, Private Bag X2046, ZA-2735 Mmabatho, South Africa

[7] North West Univ, Fac Nat & Agr Sci, Mat Sci Innovat & Modelling MaSIM Res Focus Area, Private Bag X2046, ZA-2735 Mmabatho, South Africa

[8] Florida Int Univ, Int Forens Res Inst, Dept Chem & Biochem, Miami, FL 33199 USA

[9] King Abdulaziz Univ, Fac Sci, Chem Dept, POB 42805, Jeddah 21589, Saudi Arabia

来源：

ACS OMEGA | 2020年 / 5卷 / 07期

基金：

中国国家自然科学基金;

关键词：

CORROSION INHIBITION PERFORMANCE; MOLECULAR-DYNAMICS SIMULATION; DENSITY-FUNCTIONAL THEORY; CARBON-STEEL CORROSION; MILD-STEEL; SCHIFF-BASE; HCL MEDIUM; STEREOCHEMICAL CONFORMATION; QUINOLINE DERIVATIVES; ABSOLUTE HARDNESS;

D O I：

10.1021/acsomega.9b02678

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Herein, two bifunctional macromolecular aromatic epoxy resins (ERs), namely, 4,4'-isopropylidenediphenol oxirane (ERH) and 4,4'-isopropylidene tetrabromodiphenol oxirane (ERBr), are synthesized, characterized, and evaluated as anticorrosive materials for carbon steel corrosion in acidic medium. ERs were characterized using proton nuclear magnetic resonance (H-1 NMR) and Fourier transform infrared spectroscopy techniques. Investigated ERs acted as effective corrosion inhibitors, and their inhibition effectiveness followed the order ERBr (96.5%) > ERH (95.6%). Potentiodynamic polarization results showed that ERH and ERBr behave as predominantly anodic type and the cathodic type of corrosion inhibitors, respectively. Adsorption of both the studied ERH and ERBr molecules obeyed the Langmuir adsorption isotherm model. Density functional theory and molecular dynamics studies showed that protonated forms of ERH and ERBr contribute more to metal (carbon steel)-inhibitor (ERH/ERBr) interactions than their neutral forms.

引用

页码：3151 / 3164

页数：14

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