一种新型水溶性咪唑啉酰胺缓蚀剂的合成及量子化学分析

Synthesis of a New Water-soluble Imidazoline Amide and Its Quantum Chemical Analysis

先用壬酸将四乙烯五胺的端基酰胺化,然后引入冰乙酸将部分氨基酰胺化,再进行环化脱水,制得水溶性咪唑啉酰胺缓蚀剂。采用气液相色谱、红外光谱、核磁共振、质谱等对产物进行表征;并通过量子化学计算对其缓蚀机理进行研究。结果表明：合成水溶性咪唑啉酰胺的适宜工艺路线条件是,反应原料物质的量比n（四乙烯五胺）∶n（壬酸）∶n（冰醋酸）=1∶1∶4.5;酰胺化反应温度135-140℃,反应时间4h;闭环反应温度230-240℃,闭环反应时间4h,转化率达99%以上。多种表征手段分析确定了合成产物的分子结构和含量;量子化学计算表明该缓蚀剂分子的活性区域主要分布在咪唑啉环和亲水支链上,且随着亲水基团链长变长,缓蚀性能提高。

The end group of tetraethylenepentamine was amidated by pelargonic acid, and some of the other amidogen was amidated by aceticacid, N-（2-octyl 2 imidazoline） triethylenetetramine amide inhibitors were obtained after ring closing and dehydration. The main N-（2-oetyl-2 imidazoline） triethylenetetramine amide was characterized using gas liquid chromatography, infrared spectroscopy, nuclear magnetic resonance （NMR）, and mass spectrometry. The mechanism of corrosion inhibition was studied by quantum chemis140 -C, the reaction time was 4 h; the closed-ring reaction temperature was 230-240℃, and the closed ring response time was4 h. The conversion was 99%. The molecular structure and content of the synthel ic products were analysed by a variety of characterization methods. The quantum chemistry calculation results showed that the active regions were mainly distributed on the imidazole ring and the hydrophilic chain. The inhibition performance was improved as the hydophilic chain length increased.