Abstract

The effect of the alkaloid extract of Taxus baccata (AETB) as a green inhibitor of carbon steel in 1M HCl solution, were assessed. It was found that the inhibition efficiency increased with the extract concentration and decreased with rising of temperature. The polarization curves revealed that the (AETB) acted as mixed type inhibitor. The extract was physisorbed on steel surface and obeys Langmuir’s model. Quantum chemical calculations and molecular dynamics simulation of the majority’s components existing in (AETB) were performed in order to correlate the electronic properties with their adsorption and inhibition behavior.

中文翻译：

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东北红豆杉生物碱提取物在酸性溶液中对碳钢的生态防腐实验与理论研究

摘要

评估了红豆杉生物碱提取物（AETB）作为碳钢绿色缓蚀剂在1M HCl溶液中的作用。发现抑制效率随提取物浓度增加而随温度升高而降低。极化曲线表明（AETB）充当混合型抑制剂。提取物被物理吸附在钢表面，并遵循Langmuir模型。为了将电子性质与其吸附和抑制行为相关联，对（AETB）中存在的大多数成分进行了量子化学计算和分子动力学模拟。