Mohammed Naba Jasim, Othman Norinsan Kamil, Taib Mohamad Fariz Mohamad, Samat Mohd Hazrie, Yahya Solhan
Materials Science Program, Department of Applied Physics, Faculty of Science and Technology, University Kebangsaan Malaysia, Bangi 43600, Selangor, Malaysia.
Faculty of Applied Sciences, Universiti Teknologi MARA (UiTM), Shah Alam 40450, Selangor, Malaysia.
Molecules. 2021 Jun 9;26(12):3535. doi: 10.3390/molecules26123535.
Extracts from plant materials have great potential as alternatives to inorganic corrosion inhibitors, which typically have harmful consequences. Experimental and theoretical methodologies studied the effectiveness of agricultural waste, namely, date palm seed extract as a green anti-corrosive agent in 0.5 M hydrochloric acid. Experimental results showed that immersion time and temperature are closely related to the effectivity of date palm seed as a corrosion inhibitor. The inhibition efficiency reduced from 95% to 91% at 1400 ppm when the immersion time was increased from 72 h to 168 h. The experimental results also indicated that the inhibition efficiency decreased as the temperature increased. The presence of a protective layer of organic matter was corroborated by scanning electron microscopy. The adsorption studies indicated that date palm seed obeyed Langmuir adsorption isotherm on the carbon steel surface, and Gibbs free energy values were in the range of -33.45 to -38.41 kJ·mol. These results suggested that the date palm seed molecules interacted with the carbon steel surface through mixture adsorption. Theoretical calculations using density functional theory showed that the capability to donate and accept electrons between the alloy surface and the date palm seed inhibitor molecules is critical for adsorption effectiveness. The HOMO and LUMO result indicated that the carboxyl (COOH) group and C=C bond were the most active sites for the electron donation-acceptance type of interaction and most auxiliary to the adsorption process over the Fe surface.
植物材料提取物作为无机腐蚀抑制剂的替代品具有巨大潜力,无机腐蚀抑制剂通常会产生有害后果。实验和理论方法研究了农业废弃物——枣椰树种子提取物在0.5 M盐酸中作为绿色缓蚀剂的有效性。实验结果表明,浸泡时间和温度与枣椰树种子作为腐蚀抑制剂的效果密切相关。当浸泡时间从72小时增加到168小时时,在1400 ppm浓度下,缓蚀效率从95%降至91%。实验结果还表明,缓蚀效率随温度升高而降低。扫描电子显微镜证实了存在一层有机物保护膜。吸附研究表明,枣椰树种子在碳钢表面符合朗缪尔吸附等温线,吉布斯自由能值在-33.45至-38.41 kJ·mol范围内。这些结果表明,枣椰树种子分子通过混合吸附与碳钢表面相互作用。使用密度泛函理论的理论计算表明,合金表面与枣椰树种子缓蚀剂分子之间的电子给予和接受能力对吸附效果至关重要。最高占据分子轨道(HOMO)和最低未占据分子轨道(LUMO)结果表明,羧基(COOH)基团和碳碳双键(C=C)是电子给予-接受型相互作用的最活跃位点,对铁表面的吸附过程最为有利。