水溶性咪唑啉酰胺的合成及其性能研究  

Study on the synthesis and performances of water-soluble imidazoline amide

作　　者：程玉山[1] 孙润超 吴晋英[1] 邢乃豪 黄长山[1] CHENG Yu-shan;SUN Run-chao;WU Jin-ying;XING Nai-hao;HUANG Chang-shan(Energy Research Institute Co.,Ltd.,Henan Academy of Sciences,Zhengzhou 450008,China)

机构地区：[1]河南省科学院能源研究所有限公司,河南郑州450008

出　　处：《应用化工》2024年第3期592-595,599,共5页Applied Chemical Industry

基　　金：河南省科技攻关计划项目(212102310582);河南省科学院基本科研费项目(230606060)。

摘　　要：按照四乙烯五胺∶壬酸∶冰乙酸的摩尔比为1∶1∶4.5进行反应物料配制,以甲苯为携水剂,通过端基酰胺化脱水反应、乙酰胺化脱水反应和环化脱水反应,最终制备合成了水溶性咪唑啉酰胺。依据国标方法对水溶性咪唑啉酰胺在不同质量分数下进行水溶性测试研究。结果表明,制备合成的水溶性咪唑啉酰胺具有良好的水溶性。利用GaussView 6可视化软件对水溶性咪唑啉酰胺分子进行结构优化,获得了最高占据分子轨道HOMO和最低未占分子轨道LUMO能量分布图,通过Gaussian 16软件的量化模拟计算分析,得到了最高占据轨道能量(E_(HOMO))和最低未占轨道能量(E_(LUMO)),根据前线轨道理论,揭示了水溶性咪唑啉酰胺的缓蚀性能。同时,利用失重法对水溶性咪唑啉酰胺的缓蚀性能进行研究,并根据扫描电镜(SEM)形貌分析,进一步证明了合成的水溶性咪唑啉酰胺具有良好的缓蚀效果。Reaction raw material molar ratio of tetraethylenepentamine∶pelargonic acid∶acetic acid=1∶1∶4.5.Using methylbenzene as water carrier,the water-soluble imidazoline amide was synthesized by end-group amidation dehydration reaction,acetamidation dehydration reaction and cyclic dehydration reaction.The water solubility test of water-soluble imidazoline amide under different mass fractions was carried out according to the national standard method.The results show that the synthesized water-soluble imidazoline amide has excellent water solubility.The structure of water-soluble imidazoline amide molecules was optimized by GaussView 6 visualization software,and the energy distribution of the highest occupied molecular orbital(HOMO)and the lowest unoccupied molecular orbital(LUMO)were obtained.The highest occupied orbital energy(E HOMO)and the lowest unoccupied orbital energy(E LUMO)were obtained by the quantitative simulation calculation and analysis of Gaussian 16 software.We have revealed the corrosion inhibition performance of water-soluble imidazoline amide based on the frontier orbital theory.At the same time,the corrosion inhibition performance of water-soluble imidazoline amide was studied by weight loss method,and the SEM morphology analysis further proved that the synthesized water-soluble imidazoline amide had good corrosion inhibition effect.

关 键 词：合成 水溶性咪唑啉酰胺 前线轨道理论 缓蚀性能 

分 类 号：TQ252[化学工程—有机化工]