【作者】 陈威； 战风涛； 王鑫； 陶远贤； 张芳华；

【Author】 CHEN Wei,ZHAN Fengtao,WANG Xin,TAO Yuanxian,ZHANG Fanghua (College of Chemistry & Chemical Engineering,China University of Petroleum,Qingdao 266555,China)

【机构】 中国石油大学化学化工学院；

【摘要】 以烷基酮、单质硫及氨气为原料,制备了一系列的噻唑啉类缓蚀剂;采用静态失重法考察了不同噻唑啉衍生物磷系缓蚀剂对A3钢片缓蚀性能。结果表明,单独使用缓蚀剂时,丁酮合成噻唑啉效果最好,磷系缓蚀剂中亚磷酸三丁酯效果最好;噻唑啉与亚磷酸三丁酯复配后应用到山东石大科技集团有限公司减二线馏分油中,当腐蚀体系酸值为3mgKOH/g、缓蚀剂总质量分数在205μg/g时,缓蚀率达到100%。同时通过采用密度泛函理论中B3LYP方法,计算出缓蚀剂分子的前线轨道能量、Mulliken原子电荷、电子转移数(△N)等特征参量,系统分析了反应活性和选择性。量子化学计算从分子水平上解释了静态失重的实验结果。更多还原

【Abstract】 A series of thiazoline corrosion inhibitors were synthesized from alkyl-ketone,element sulfur and ammonia.Static mass loss method was used to investigate the anti-corrosion performance of thiazolines with different structures to A3 steel.The results suggested that the anti-corrosion effect of thiazoline synthesized from butanone was preferable,while the anti-corrosion effect of tributyl phosphate was preferable among the phosphate inhibitors.The corrosion inhibitor of thiazoline synthesized from butanone combined with tributyl phosphate was used in a second vacuum fraction of Shtar Science & Technology Group.The anti-corrosion rate was up to 100%when the corrosion inhibitor concentration was 205μg/g in the oil with acid number 3 mgKOH/g. Simultaneously,the characteristic parameters of thiazolines were studied by B3LYP of density functional theory.Through the calculation of the molecular frontier orbital energy,mulliken atomic charge and number of transferred electrons(△N) etc,the characteristic parameters of the reaction activity and selectivity of thiazolines were systematically analyzed.Quantum chemical calculations were conducted and also to provide molecular-level understanding of the observed experimental behaviour.更多还原