Dagdag Omar, El Harfi Ahmed, Cherkaoui Omar, Safi Zaki, Wazzan Nuha, Guo Lei, Akpan E D, Verma Chandrabhan, Ebenso E E, Jalgham Ramzi T T
Laboratory of Agroresources, Polymers and Process Engineering (LAPPE), Department of Chemistry, Faculty of Science, Ibn Tofail University BP 133 14000 Kenitra Morocco.
Higher School of Textile and Clothing Industries, Laboratory REMTEX BP 7731, Oulfa Casablanca Morocco.
RSC Adv. 2019 Feb 5;9(8):4454-4462. doi: 10.1039/c8ra09446b. eCollection 2019 Jan 30.
A new epoxy monomer, namely, tetraglycidyl-1,2-aminobenzamide (ER), was synthesized by condensation of the amines with epichlorohydrin in a basic medium. The obtained epoxy monomer was characterized by FT-IR and H NMR spectroscopy. Rheological properties of this monomer were determined using an advanced rheometer. Subsequently, the synthesized ER monomer was investigated as corrosion inhibitor for carbon steel in 1 M HCl solution. The adsorption properties of ER were analyzed by electrochemical, surface investigation and theoretical computational studies using DFT and molecular dynamics (MD). Results showed a high dependence of the viscosity of ER on temperature and concentration, and also, that ER has better inhibition performance. A good agreement between the results derived from computational (MD and DFT) and experimental methods was observed. The thermodynamic parameters, along with the kinetic parameters, showed that the adsorption of ER molecules onto carbon steel surface obeyed the Langmuir isotherm model, and the adsorption at metal-electrolyte interfaces involved both chemical and physical adsorption, but predominantly chemisorption mechanism.
通过在碱性介质中使胺与环氧氯丙烷缩合，合成了一种新型环氧单体，即四缩水甘油基-1,2-氨基苯甲酰胺（ER）。通过傅里叶变换红外光谱（FT-IR）和核磁共振氢谱（H NMR）对所得环氧单体进行了表征。使用先进的流变仪测定了该单体的流变性能。随后，研究了合成的ER单体作为碳钢在1 M盐酸溶液中的缓蚀剂的性能。通过电化学、表面研究以及使用密度泛函理论（DFT）和分子动力学（MD）的理论计算研究，分析了ER的吸附性能。结果表明，ER的粘度对温度和浓度高度依赖，并且ER具有更好的缓蚀性能。观察到计算（MD和DFT）方法与实验方法所得结果之间具有良好的一致性。热力学参数以及动力学参数表明，ER分子在碳钢表面的吸附遵循朗缪尔等温线模型，并且在金属-电解质界面的吸附涉及化学吸附和物理吸附，但主要是化学吸附机制。
