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首页> 外文期刊>Journal of Applied Polymer Science >Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel inNaCl: Computational and experimental studies
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Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel inNaCl: Computational and experimental studies

机译：基于磷的高型功能性树枝状大分子树脂设计为碳钢INNACL的有效涂层材料：计算与实验研究

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Objective of this study is to develop a highly effective and durable phosphorus based epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl medium. The hexaglycidylN,N ',N ''-tris (4,4 '-ethylene dianiline) phosphoramide (HGTEDPA) was characterized using spectral methods. The anticorrosive formulation (HGTEDPA-MDA) was synthesized using HGTEDPA curing with 4,4 '-methylenedianiline (MDA). The formulation (HGTEDPA-MDA) coated steel specimens were exposed to UV radiation for a specific durable (189 days) and durability of the formulation was tested along with its inhibition effectiveness. The anticorrosive property of the formulation was evaluated using electrochemical (electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP)) methods. Results showed that HGTEDPA-MDA coating improved the corrosion resistance value even after exposing 180 days to the UV radiation. PDP study suggested that HGTEDPA-MDA before and after UV radiations acted as mainly anodic and cathodic type of inhibitor, respectively. The EIS and PDP results were corroborated with density functional theory (DFT) and molecular dynamic simulations (MDS) methods and a reasonable good agreement was observed. DFT study revealed that HGTEDPA-MDA interacts with the metallic surface using donor-acceptor interactions. MDS study revealed that HGTEDPA-MDA spontaneously interacts with steel surface and adsorb using horizontal orientation.
机译：本研究的目的是开发一种高效耐用的磷基环氧树脂，作为碳钢在3%NaCl介质中的防腐涂层材料。采用光谱法对六缩水甘油醇，N'，N'-三（4,4'-乙烯二苯胺）磷酰胺（HGTEDPA）进行了表征。使用4,4'-亚甲基二苯胺（MDA）固化HGTEDPA，合成了防腐配方（HGTEDPA-MDA）。将配方（HGTEDPA-MDA）涂层钢试样暴露在紫外线辐射下一段特定的持续时间（189天），测试配方的耐用性及其抑制效果。使用电化学（电化学阻抗谱（EIS）和动电位极化（PDP））方法评估配方的防腐性能。结果表明，HGTEDPA-MDA涂层即使在紫外线辐射下暴露180天后，仍能提高耐腐蚀性。PDP研究表明，HGTEDPA-MDA在紫外线辐射前后分别主要作为阳极和阴极类型的抑制剂。用密度泛函理论（DFT）和分子动力学模拟（MDS）方法验证了EIS和PDP的结果，并观察到了合理的良好一致性。DFT研究表明，HGTEDPA-MDA通过供体-受体相互作用与金属表面相互作用。MDS研究表明，HGTEDPA-MDA自发地与钢表面相互作用，并以水平方向吸附。

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