IMR OpenIR
流动条件下咪唑啉型缓蚀剂的结构与缓蚀性能的关系研究
其他题名Relationship between Molecular Structure of Imidazoline and Its Corrosion Inhibition Behaviors for Carbon Steel in 3%NaCl Solution Saturated by CO2 under Flowing Conditions
刘瑕
学位类型博士
导师郑玉贵
2009-02-13
学位授予单位中国科学院金属研究所
学位授予地点金属研究所
学位专业材料学
关键词Co2 腐蚀 缓蚀剂 咪唑啉 咪唑啉季铵盐 多相流 量子化学计算
摘要研究了不同亲水基团的咪唑啉型缓蚀剂,即羧甲基咪唑啉(CMI-11), 羟乙基咪唑啉(HEI-11), 胺乙基咪唑啉(AEI-11)和咪唑啉(IM-11)对N80钢在CO2饱和的3%NaCl溶液中的缓蚀性能。结果表明:静态条件下,缓蚀剂的缓蚀效率遵循如下顺序: CMI-11>HEI-11>AEI-11>IM-11,即缓蚀剂中亲水基团的存在有利于提高咪唑啉型缓蚀剂的缓蚀性能;缓蚀剂的缓蚀性能与其硬度及电负性有关,硬度越小,电负性越大,缓蚀性能越好。在单相及多相流条件下,缓蚀剂的缓蚀效率仍与亲水基团的电负性成正比。为了进一步研究缓蚀剂的缓蚀性能与其结构的关系,运用量子化学法计算了缓蚀剂的ELUMO、EHOMO,结果表明缓蚀剂的ELUMO与EHOMO的差值越小,缓蚀剂的缓蚀性能越好。 研究了含有不同疏水基团的咪唑啉型缓蚀剂,即正丁基咪唑啉(IM-4)、 壬基咪唑啉(IM-9)、十一烷基咪唑啉(IM-11),十七烷基咪唑啉(IM-17),对N80钢在CO2饱和的3%NaCl溶液中的缓蚀性能。研究结果表明,静态条件下, 不同疏水基团的咪唑啉型缓蚀剂的缓蚀效率排序为: IM-9>IM-4>IM-11>IM-17,即咪唑啉型缓蚀剂的缓蚀性能与疏水基团的碳链长度、空间位阻及其水溶性有关;在介质流速为5m/s的动态条件下,缓蚀剂的缓蚀效率显著降低,缓蚀性能的顺序变为:IM-9> IM-11 > IM-17> IM-4,即对缓蚀剂的疏水和屏障作用要求更高。无论在静态及动态条件下,疏水基团中含有双键会显著提高缓蚀剂的缓蚀性能。 分别在静态及动态条件下研究了不同取代基的咪唑啉季铵盐,即胺乙基咪唑啉季铵盐(AQI)和羟乙基咪唑啉季铵盐(HQI)对N80钢在CO2饱和的3%NaCl溶液中的缓蚀性能。研究结果表明,在静态条件下,HQI较AQI表现出更佳的缓蚀性能;而在动态条件下,AQI的缓蚀效率优于HQI。由于流体的剪切应力及砂粒的磨损作用,流动条件下,缓蚀剂的缓蚀效率显著降低;多相流条件下,缓蚀剂的缓蚀效率进一步降低。无论在静态及动态条件下,咪唑啉季铵盐的缓蚀性能均优于咪唑啉。因此,在流动条件下,咪唑啉型缓蚀剂的设计及合成应更多地考虑多中心吸附及多种基团的协同效应,以确保缓蚀剂在流动条件下仍能具有较好的缓蚀性能。
其他摘要The inhibition performances of imidazolines with different hydrophilic groups under static condition were investigated in 3% NaCl solution. The results showed that: the inhibition efficiency of inhibitors follows the order: 2 - undecyl - carboxymerhy1 - imidazoline (CMI-11)>2-undecyl - hydroxyethyl –imidazoline (HEI-11)>2-undecyl- aminoethyl- imidazoline(AEI-11)>2-undecyl -imidazoline (IM-11). The presence of the hydrophilic group improves the corrosion inhibition performance. In order to study the relationship between the molecular structure and inhibition properties of imidazoline inhibitors, quantum chemical calculations have been also applied. The calculated quantum chemical parameters support that the lower the LUMO-HOMO energy gap of different inhibitors, the higher the inhibition efficiency of inhibitors. The property of inhibitor can be well correlated with its hardness and electronegativity. The lower the hardness, and the larger the electronegativity, the better the inhibition efficiency. The inhibition performances of imidazolines with different hydrophobic groups under static condition were investigated in 3%NaCl solution. The results showed that: the inhibition efficiency of inhibitors follows the order: 2 – nonyl – aminoethyl – imidazoline (IM-9)>2 – butyl – aminoethyl - imidazoline (IM-4)>2 – undecyl – aminoethyl - imidazoline (IM-11)>2-heptadecyl– aminoethyl-imidazoline( IM-17). The inhibition behavior was affected by the length of carbon chain and solubility of the inhibitors. The inhibition efficiency at 5m/s decreased in the order of IM-9 > IM-11 > IM-17 > IM-4, and solution flow (5m/s) dramatically worsened the inhibition performance of imidazolines. Whenever under static or flowing condition, the presence of the double bond in hydrophobic group improves the corrosion inhibition performance. The inhibition performances of quaternary ammonium salt of imidazolines were investigated in 3%NaCl solution under static and flowing condition. Under static condition, 2 – undecyl – 1 - hydroxyethyl -1- hydroxyethyl quaternary imidazoline (HQI) exhibited better inhibition performance than 2 – undecyl -1- aminoethyl-1- hydroxyethyl quaternary imidazoline(AQI) did in 3%NaCl solution; in contrast, at 5m/s inhibition performance of AQI was better than that of HQI. Whenever under static or flowing condition, quaternary ammonium salt showed better inhibition behavior than that of imidazoline. The inhibition efficiency was decreased under single phase flowing condition, and the inhibition efficiency was further decreased by the entrained sand in the multiphase flowing condition. As a result, for inhibitors used in flowing condition, the successful selection of inhibitors depends on polycentric adsorption and synergistic effect.
页数117
语种中文
文献类型学位论文
条目标识符http://ir.imr.ac.cn/handle/321006/17029
专题中国科学院金属研究所
推荐引用方式
GB/T 7714
刘瑕. 流动条件下咪唑啉型缓蚀剂的结构与缓蚀性能的关系研究[D]. 金属研究所. 中国科学院金属研究所,2009.
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