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首页> 外文会议>International Conference on Environmental and Geological Science and Engineering >Experimental and Computational studies on the inhibitive effects of Newbouldia laevis extracts and magnetic fields on copper corrosion in aqueous acidic media
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Experimental and Computational studies on the inhibitive effects of Newbouldia laevis extracts and magnetic fields on copper corrosion in aqueous acidic media

机译：新巴伐拉兹提取物和磁场对酸性介质水溶液铜腐蚀抑制作用的实验和计算研究

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摘要

The inhibitive effects of Newbouldia Laevis (NL) leaf extract and magnetic field on copper corrosion in 0.5M H_2SO_4 aqueous solution were investigated experimentally by gravimetric technique and theoretically using Quantum Chemical calculations. The results show that both NL and the magnetic field caused reduction in corrosion rate. The inhibition efficiency increased with concentration. The magnetic field caused greater increase in the inhibition efficiency. Temperature increase caused a decrease in inhibition efficiency. The activation energy is and oscillates, possibly due to error factor from non-linearity of the Arrhenius plot. Among the tested isotherms, Langmuir has the highest correlation coefficient of 0.9963 and 0.7935 with and without magnet field. The magnetic field increased the change in free energy, caused the reaction to become spontaneous, a number molecule replacing 4 moles of water mole while reducing the number of monolayer of the inhibitor on the metal. The quantum chemical calculations performed on newbouldia quinone and lapachol constituents of NL showed that lapachol contributed more to the inhibition efficiency due its low binding energy, high dipole moment, chemical softness and fractional electron transfer. The magnetic field and temperature played opposite roles.
机译：通过重量技术实验研究了Newbouldia Laevis（NL）叶提取物和磁场对0.5M H_2SO_4水溶液中铜腐蚀的抑制作用。结果表明，NL和磁场均导致腐蚀速率降低。抑制效率随浓度而增加。磁场导致抑制效率提高。温度增加导致抑制效率降低。激活能量是和振荡，可能是由于Arrhenius图的非线性的误差因子。在测试等温线中，Langmuir具有0.9963和0.7935的最高相关系数，无磁场。磁场增加了自由能的变化，使反应变得自发，多个分子取代4摩尔水摩尔，同时减少抑制剂的单层数量在金属上。对NL的Newbouldia Quinone和Lapachol成分进行的量子化学计算显示，Lapachol由于其低结合能量，高偶极力矩，化学柔软度和分数电子转移而导致抑制效率更多。磁场和温度起到相反的作用。

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