Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies
文献类型：期刊论文
| 作者 | Dagdag, Omar; Safi, Zaki; Qiang, Yujie; Erramli, Hamid; Guo, Lei; Verma, Chandrabhan; Ebenso, Eno E.; Kabir, Abuzar; Wazzan, Nuha; El Harfi, Ahmed |
| 刊名 | ACS OMEGA
 |
| 出版日期 | 2020 |
| 卷号 | 5期号:7页码:3151-3164 |
| 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 |
| DOI | 10.1021/acsomega.9b02678 |
| 英文摘要 | 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. |
| 学科主题 | Chemistry |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/19952]  |
| 专题 | 2020专题 2020专题_期刊论文 |
| 作者单位 | 1.Verma, C 2.Ebenso, EE (corresponding author), North West Univ, Fac Nat & Agr Sci, Mat Sci Innovat & Modelling MaSIM Res Focus Area, Private Bag X2046, ZA-2735 Mmabatho, South Africa. 3.Ebenso, EE (corresponding author), North West Univ, Fac Nat & Agr Sci, Sch Chem & Phys Sci, Dept Chem, Private Bag X2046, ZA-2735 Mmabatho, South Africa. |
| 推荐引用方式 GB/T 7714 | Dagdag, Omar,Safi, Zaki,Qiang, Yujie,et al. Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies[J]. ACS OMEGA,2020,5(7):3151-3164. |
| APA | Dagdag, Omar.,Safi, Zaki.,Qiang, Yujie.,Erramli, Hamid.,Guo, Lei.,...&El Harfi, Ahmed.(2020).Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies.ACS OMEGA,5(7),3151-3164. |
| MLA | Dagdag, Omar,et al."Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies".ACS OMEGA 5.7(2020):3151-3164. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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