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Experimental and theoretical investigation towards anti-corrosive property of glutamic acid and poly-gamma-glutamic acid for mild steel in 1 M HCl: intramolecular synergism due to copolymerization

机译:1M HCl中温和钢谷氨酸和多γ-谷氨酸抗腐蚀性能的实验与理论研究:共聚引起的分子内协同作用

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摘要

The potentiality of poly-gamma-glutamic acid (PGA), a naturally occurring polypeptide, towards inhibiting corrosion of mild steel in 1 M HCl is hereby assessed through electrochemical and gravimetric analysis, evaluation of adsorption and activation parameters, coupled with theoretical calculations. Inhibition efficiency of PGA is compared with that of its monomeric unit, glutamic acid (GA, a non-essential amino acid). While GA does not show any anti-corrosive effect, PGA is found to be a good corrosion inhibitor for the studied system with inhibition efficiency more than 90% within the temperature range of 293-303 K and up to an exposure time of 24 h. Experimental result has been explained in terms of decreased energy gap between the frontier molecular orbitals, increased dipole moment, and molecular chain length, as well as availability of interacting amide groups resulting due to co-polymerization. Occurrence of intramolecular synergism towards corrosion inhibition due to co-polymerization is further supported by molecular dynamics simulation results.
机译:由此通过电化学和重量分析,吸附和激活参数评估,与理论计算相结合,通过电化学和重量分析,与理论计算相结合,评估多γ-谷氨酸(PGA),天然存在的多肽抑制温和钢的抑制腐蚀。将PGA的抑制效率与其单体单元的谷氨酸(Ga,非必需氨基酸)进行比较。虽然Ga未显示任何抗腐蚀效果,但PGA被发现是研究的良好腐蚀剂,用于抑制效率的抑制效率超过90%,在293-303 k的温度范围内,达到24小时的暴露时间。在前沿分子轨道轨道和分子链长度增加的能量间隙下降的情况下已经解释了实验结果,以及由于共聚而导致酰胺基团的相互作用的可用性。通过分子动力学模拟结果进一步支持对由于共聚共聚引起的腐蚀抑制的分子内协同作用的发生。

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