宋文文,李彬,张娟涛,李循迹,常泽亮,张军平.3-(吗啉基甲基)-苯并噻唑-2-硫酮的合成与缓蚀性能[J].装备环境工程,2017,14(12):30-34. LI Bin,SONG Wen-wen,ZHANG Juan-tao,LI Xun-ji,CHANG Ze-liang,ZHANG Jun-ping.Composition and Inhibition Performance of 3-(Morpholinomethyl)-Benzothiazole-2-Thione[J].Equipment Environmental Engineering,2017,14(12):30-34.
3-(吗啉基甲基)-苯并噻唑-2-硫酮的合成与缓蚀性能
Composition and Inhibition Performance of 3-(Morpholinomethyl)-Benzothiazole-2-Thione
投稿时间:2017-07-10  修订日期:2017-12-15
DOI:10.7643/ issn.1672-9242.2017.12.006
中文关键词:  缓蚀剂  2-巯基苯并噻唑  分子动力学
英文关键词:inhibitor  2-mercaptobenzothiazole  molecular dynamics
基金项目:
作者单位
宋文文 中国石油塔里木油田分公司油气工程研究院,新疆 库尔勒 841000 
李彬 新疆塔里木油田建设有限责任公司化学助剂厂,新疆 库尔勒 841000 
张娟涛 石油管材及装备材料服役行为与结构安全国家重点实验室,西安 710077 
李循迹 中国石油塔里木油田分公司油气工程研究院,新疆 库尔勒 841000 
常泽亮 中国石油塔里木油田分公司油气工程研究院,新疆 库尔勒 841000 
张军平 西北工业大学 理学院 应用化学系,西安 710129 
AuthorInstitution
LI Bin Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla 841000, China 
SONG Wen-wen Institute of Petroleum Engineering, Tarim Oilfield Company, Petro China, Korla 841000, China 
ZHANG Juan-tao State Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, Xi′an 710077, China 
LI Xun-ji Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla 841000, China 
CHANG Ze-liang Chmical Additives Factory, Xinjiang Tarim Oilfield Construction Co., Ltd, Korla 841000, China 
ZHANG Jun-ping Department of Applied Chemistry, School of Natural and Applied Sciences, Northwestern Polytechnical University, Xi′an 710129, China 
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中文摘要:
      目的 研究3-(吗啉基甲基)-苯并噻唑-2-硫酮(MLMBT)的缓蚀性能。方法 在微波辐照下用2-巯基苯并噻唑、甲醛和吗啡啉合成了MLMBT,采用失重法和动电位极化曲线测试了其缓蚀性能,利用分子动力学模拟方法探讨了其在Fe表面的吸附作用。结果 该缓蚀剂能有效抑制N80钢CO2腐蚀,属于混合型缓蚀剂。在90 ℃和其加量为0.5 g/L时,能使腐蚀速率从0.3691 g/(m2•h)降低到0.1048 g/(m2•h)。其分子中最高占据轨道(HOMO)的电荷主要分布在分子中的N,S原子上,而其最低空轨道(LUMO)的电荷则主要分布在巯基苯并噻唑环上,当其在N80钢表面发生吸附时,分子中的巯基苯并噻唑环和吗啉基处于同一平面而同时平行吸附。结论 分子动力学模拟结果从微观角度验证了MLMBT具有良好缓蚀性能,与失重法和电化学测试结果一致。
英文摘要:
      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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