含哒嗪功能结构酰胺醚类化合物的合成及其缓蚀性能的实验评价与理论模拟  

Synthesis of Pyridazine-containing Amide Ethers and Experimental Evaluation and Theoretical Studies of Their Corrosion Inhibition

作　　者：任峻晴 马玉乐 马宇欣 高少琪 仇宇豪 陈国博[1] 夏树伟[1,2] 于良民[1,2] REN Junqing;MA Yule;MA Yuxin;GAO Shaoqi;QIU Yuhao;CHEN Guobo;XIA Shuwei;YU Liangmin(College of Chemistry and Chemical Engineering,Ministry of Education,Ocean University of China,Qingdao 266100,China;Key Laboratory of Marine Chemistry Theory and Technology,Ministry of Education,Ocean University of China,Qingdao 266100,China)

机构地区：[1]中国海洋大学化学化工学院,青岛266100 [2]中国海洋大学海洋化学理论与工程技术教育部重点实验室,青岛266100

出　　处：《高等学校化学学报》2024年第10期97-109,共13页Chemical Journal of Chinese Universities

基　　金：山东省高等教育本科教学改革研究项目(批准号:Z2023083);中国高等教育学会2023年度高等教育科学研究规划课题(批准号:23NL0304);国家级大学生创新创业训练计划项目(批准号:202310423044)资助.

摘　　要：为了解决碳钢在工业应用中的腐蚀状况,设计合成了3种含哒嗪功能结构的酰胺醚类化合物(PCAE).采用电化学分析和表面测试等实验方法探究了其在1 mol/L盐酸中对碳钢的缓蚀性能,结果表明,PCAE是以抑制阳极为主的混合型缓蚀剂,PCAE1和PCAE2浓度为500 mg/L时缓蚀率分别为96.8%和93.1%,而PCAE3在100 mg/L时缓蚀率即可达到96.5%.PCAE在碳钢表面以化学吸附为主,符合Langmuir等温式,在缓蚀剂作用下的碳钢表面腐蚀坑明显减少,粗糙度曲线趋于平缓.量子化学计算结果表明,PCAE的结构中含有大量活性吸附位点,PCAE3分子最低未占据轨道(LUMO)接受金属电子形成反馈键的能力更占优势,其支链取代基中的C_(2pz)和羰基O_(2pz)对LUMO轨道的贡献较大.To address the corrosion issues of carbon steel in industrial applications,three pyridazine-containing amide ether compounds(PCAE)were designed and synthesized.The corrosion inhibition of PCAE was investigated for carbon steel in 1 mol/L HCl solution by using electrochemical analysis and surface characterization.The results indicated that all three compounds acted as mixed-type inhibitors but of predominantly anodic type.The inhibition efficiencies of PCAE1 and PCAE2 were 96.8%and 93.1%at 500 mg/L,respectively,while PCAE3 could achieve an inhibition efficiency of 96.5%at 100 mg/L.The chemisorption of PCAE on carbon steel fitted well with the Langmuir isotherm.Surface morphology analysis showed a smoother surface for carbon steel in the presence of PCAE in acidic solution.Quantum chemical calculations demonstrated that abundant adsorption sites exhibited in the PCAE molecules.The superior inhibition efficiency of PCAE3 could be attributed to the electron accepting effects,and the C_(2pz)and carbonyl O_(2pz)in the branched substituents contribute more to the lowest unoccupied molecular orbital(LUMO).

关 键 词：缓蚀剂 电化学技术 吸附 量子化学计算 

分 类 号：O646.6[理学—物理化学]