| 芳腈类缓蚀剂作用机理的量子化学研究 |
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| 引用本文： | 张士国,李红,张向东. 芳腈类缓蚀剂作用机理的量子化学研究[J]. 分子科学学报, 1997, 0(2) |
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| 作者姓名： | 张士国 李红 张向东 |
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| 作者单位： | 滨州师范专科学校化学系!滨州，256604(张士国，李红)，辽宁大学化学系!沈阳，110036(张向东) |
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| 摘 要： | 用量子化学半经验计算方法MNDO和CNDO/2程序，研究了芳腈类化合物在钢铁表面抑制腐蚀的机理，提出了该类分子在钢铁表面的吸附方式．
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| 关 键 词： | 芳腈 缓蚀作用 量子化学计算 |
A Quantum Chemistry Study for Corrosion-Inhibiting Mechanism of Aromatic Nitriles |
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| Zhang Shiguo, Li Hong. A Quantum Chemistry Study for Corrosion-Inhibiting Mechanism of Aromatic Nitriles[J]. Journal of Molecular Science, 1997, 0(2) |
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| Authors: | Zhang Shiguo Li Hong |
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| Abstract: | The researches with the semiempirical quantum chemistry calculation methods for the corrosion inhibiting mechanism of me aromatic nitriles on the surface of iron and steel by using the program MNDO and CNDO/2 have been carried out in this paper. An absorbed pattern of these corrosion inhibitors molecules on the surface of iron and steel has been proPosed. |
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| Keywords: | Aromatic nitriles Corrosion inhibitor Quantum chemistry calculation |
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