摘要
针对陕北某天然气气井腐蚀现象日益严重以及天然气中H2S,CO2等酸性组分质量浓度不断增大等一系列亟待解决的生产实际问题,首先利用质量损失法对4种常用的咪唑啉类缓蚀剂进行了缓蚀效果评价,然后通过量子化学计算和分子动力学模拟的方法对其缓蚀行为和作用机理进行了初步研究。结果表明:咪唑啉类缓蚀剂对金属的缓蚀作用,主要由于其分子中的咪唑环及极性基团的作用;发生吸附时,咪唑环优先吸附于金属表面,有利于咪唑啉分子在金属表面形成稳定的保护膜。同时憎水支链的自由移动与伸展,能够在远离金属表面的地方形成一层致密的疏水层,阻碍了腐蚀介质与金属基体的接触,有效地增强了咪唑啉分子的缓蚀效果。缓蚀剂缓蚀性能的理论评价结果与实验结果相吻合。
The corrosion of natural gas wells in the northern part of Shaanxi is growing seriously and the mass concentration of acidic components like H2S and CO2 is growing increasingly. In response to the practical issues, an estimate （mass loss） was made to the four kinds of imidazoline compounds which were used commonly, and the corrosion inhibition behaviors and mechanism action were studied by the way of quantum chemical calculation and molecular dynamics simulation. The results show that the imidazole ring and the polar group in the molecule of imidazoline derivatives play the most important role in the corrosion inhibition performance for metal surface. When the adsorption occurs, the imidazole ring is prior to be adsorbed on metal surfaces, which can help imidazoline to form a stable protective film on the surface of metal. At the same time, a dense layer of filter layer is formed far away from the metal surface with the free movement and the stretch of hydrophobic, which blocks the migrating of corrosion products. The effects of corrosion mitigation are strengthened effectively. The theoretical evaluation of the corrosion performance is coincided with the experimental result.
出处
《化学工程》
CAS
CSCD
北大核心
2014年第2期9-12,33,共5页
Chemical Engineering(China)
关键词
咪唑啉
缓蚀剂
量子化学计算
分子动力学模拟
imidazoline
corrosion inhibitor
quantum chemical calculation
molecular dynamics simulation
