The action between imidazolinyl-quaternary-ammonium-salt(IQAS) molecule and Fe atom was studied, and the influence of the alkyl group connected with N atom of imidazoline ring on corrosion inhibition efficiency was ex...The action between imidazolinyl-quaternary-ammonium-salt(IQAS) molecule and Fe atom was studied, and the influence of the alkyl group connected with N atom of imidazoline ring on corrosion inhibition efficiency was explored. Quantum chemical methods, HF/6-31 G and HF/Lan L2 dz, were applied successively to calculate the parameters such as front molecular orbit energy of IQASⅠ-Ⅳ and chemical adsorption for IQASⅠ-Ⅳ and Fe atom. The corrosion inhibition efficiency was measured with the weight loss method of carbon steel samples in acidic solution and oil field sewage. Based on the theoretical analyses and experimental results, it is concluded that N-Fe coordination bond is formed between IQAS molecule and Fe atom, corrosion inhibition efficiency is decreased in the following order(from large to small): IQAS Ⅳ, IQAS Ⅲ, IQAS Ⅱ, IQASⅠ.展开更多
基金Project (05A002) supported by Scientific Research Fundation of Hunan Provincial Education Depart ment project(04JJY40010) supported by the Natural Science Foundation of Hunan Province
文摘The action between imidazolinyl-quaternary-ammonium-salt(IQAS) molecule and Fe atom was studied, and the influence of the alkyl group connected with N atom of imidazoline ring on corrosion inhibition efficiency was explored. Quantum chemical methods, HF/6-31 G and HF/Lan L2 dz, were applied successively to calculate the parameters such as front molecular orbit energy of IQASⅠ-Ⅳ and chemical adsorption for IQASⅠ-Ⅳ and Fe atom. The corrosion inhibition efficiency was measured with the weight loss method of carbon steel samples in acidic solution and oil field sewage. Based on the theoretical analyses and experimental results, it is concluded that N-Fe coordination bond is formed between IQAS molecule and Fe atom, corrosion inhibition efficiency is decreased in the following order(from large to small): IQAS Ⅳ, IQAS Ⅲ, IQAS Ⅱ, IQASⅠ.
