<正> 关于二苄基亚砜、硫脲及其它含氮的有机化合物或其混合物对铁在 HF 酸中缓蚀作用已有一些报导。本工作研究含 N、S 或 O 的咪唑啉衍生物对钢(20A,A3,X20)在HF 酸、HCl 酸和柠檬酸中的缓蚀作用。用量子化学的 CNDO/2方法计算了各咪唑衍生物分子中原子的电子密度,同时也计算了前线轨道(HOMO、LUMO)的能量。将计算结果和用失重法测出的腐蚀速度和缓蚀效率进行比较,表明1-氨乙基-2-十一烷基咪唑啉-硫脲缩合物(SM-型化合物)的缓蚀效率最高,是一种性能优良的缓蚀剂。
The inhibition efficiency of imidazoline derivatives containing N,Sor O for steel in hydrofluoric acid,hydrochloric acid and citric acid was studied.The electron density of various atoms and the energy of HOMO, LUMO in the molecules are computed by CNDO/2 method. The experimental results shown that the inhibition efficiency decreases in the following order:2-undecyl-1-(trithioureido)-ethyl-imidazoline (SM-3)>2-undecyl-1-(dithioureido)-ethyl-imidazoline(SM 2)>2- undeeyl-1-(monothioureido)-ethyl-imidazoline(SM-1)>2-undecyl-1- (carboxyethylthioureido)-ethyl-imidazoline(PSM-1)>2-undecyl-1- (carboxyethyl-amino)-ethyl-imidazolne(pAI)>2 undecyl-1-(mul eylamido)-ethyl-imidazo line(MAI)>2-unecyl-1-(aminoethyl)- imidazoline(UAEI). The inhibition efficiency of SM-2 at diffierent concentrations and temperates in 0.166 mol/L citric acid for 20A steel agrees well with Arrhenius formula,i.e.P=A exp(-E/RT),where P is the efficiency of corrosion inhibition and T,the temperature(K).This indicates that the mechanism of corrosion inhibition of SM-type inhibitors is chemical adsorption on the metal surface. The chemical adsorption of SM-type inhibitors on metal surface is explained with computational results by CNDO/2 method.In the mol- ecules of SM-type inhibitors,there are two unsaturated centres:the π-bond on the imidazoline-ring and on the thiourea group.These two centres form feed-back bonds on metal surface with a result of chief donative effect of electron.
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