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| Composition and Inhibition Performance of 3-(Morpholinomethyl)-Benzothiazole-2-Thione |
| Received:July 10, 2017 Revised:December 15, 2017 |
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| DOI：10.7643/ issn.1672-9242.2017.12.006 |
| KeyWord:inhibitor 2-mercaptobenzothiazole molecular dynamics |
| Author | Institution |
| LI Bin |
Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla , China |
| SONG Wen-wen |
Institute of Petroleum Engineering, Tarim Oilfield Company, Petro China, Korla , China |
| ZHANG Juan-tao |
State Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, Xi′an , China |
| LI Xun-ji |
Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla , China |
| CHANG Ze-liang |
Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla , China |
| ZHANG Jun-ping |
Department of Applied Chemistry, School of Natural and Applied Sciences, Northwestern Polytechnical University, Xi′an , China |
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| Abstract: |
| Objective To research corrosion performance of 3-(morpholinemethyl)-benzothiazole ketone-2-sulfur (MLMBT). Methods TMLMBT was synthesized under micro-wave irradiation with 2-mercaptobenzothiazole, formalin and morpholine under microwave irradiation. The inhibition performance of the compound was measured based on weight loss and polarization curve methods. The adsorption behavior of the compound on Fe surface was analyzed through molecular dynamics simulation. Results The inhibitor could efficiently inhibit corrosion of N80 steel in simulated corrosive medium of saturated CO2 environment. It belonged to the mixed type. When the dosage was 0.5 g/L and at 90 ℃, the corrosion rate could be reduced from 0.3691 g/(m2•h) to 0.1048 g/(m2•h). The electric charge of the highest occupied molecular orbit (HOMO) of the inhibitor molecules was mainly distributed on N and S atoms, and that of the lowest unoccupied molecular orbit (LUMO) was mainly distributed on the mercaptobenzothiazole ring. While the inhibitor molecules were adsorbed on the surface of Fe, the mercaptobenzothiazole ring and morpholine group of the molecules were arranged in the same plane and adsorbed abreast to the Fe surface. Conclusion The results of molecular dynamics simulations verify the good corrosion inhibition performance of MLMBT inhibitors from the microscopic point of view, which is consistent with the results of weight loss and electrochemistry. |
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