盐酸溶液中苯腈类化合物对碳钢缓蚀的灰色理论研究  

GREY THEORY STUDY ON INHIBITION OF COMPOUNDS OF BENZENE NITRILES TO CARBON STEEL IN HYDROCHLORIC ACID

作　　者：谢学军[1] 曹顺安[1] 刘俊峰[2] 龚洵洁[1] 彭珂如[1] 汤海珠[1] 秦技强[1] 

机构地区：[1]武汉大学动力与机械学院,武汉430072 [2]华北电力科学研究院,北京100045

出　　处：《中国腐蚀与防护学报》2003年第2期107-111,共5页Journal of Chinese Society For Corrosion and Protection

摘　　要：通过运用灰色理论建模思想 ,建立缓蚀体系的灰色缓蚀模型 ,研究了盐酸溶液中苯腈类化合物对碳钢缓蚀的缓蚀性能与分子结构的关系 .所研究的苯腈类化合物包括苯腈类母体化合物 (苯丙烯腈、苯甲腈、苯乙腈、异丙基苯乙腈 )和对氯苯腈类化合物 (对氯苯丙烯腈、对氯苯甲腈、对氯苯乙腈、对氯异丙基苯乙腈 ) .研究结果表明 ,盐酸溶液中苯腈类母体化合物和对氯苯腈类化合物对碳钢缓蚀的缓蚀性能与分子结构参数的关系 ,可用GM (0 ,3)模型描述 .缓蚀性能主要与化合物分子氰基上氮原子的净电荷密度和分子最低空轨道能量有关 ,氰基氮原子上的净电荷密度 (绝对值 )σN 越高、分子的最低空轨道能量ELUMO越低 ,缓蚀性能越高 .The relations between inhibition efficiency of carbon steel in hydrochloric acid and molecular structure of compounds of benzene nitriles were studied by constructing the grey inhibition model of inhibition system.Benzene nitriles studied included parent benzene nitriles(cinnamonitrile,benzonitrile,benzeneacetonitrile,isopropyl benzeneacetonitrile) and para-chloro benzene nitriles(para-chloro cinnamonitrile,para-chloro benzonitrile,para-chloro benzeneacetonitrile,para-chloroisopropyl benzeneacetonitrile).Results showed that the relations between inhibition efficiency of carbon steel in hydrochloric acid and molecular structure of compounds of benzene nitriles could be expressed by GM(0,3).The expressions of GM(0,3) were η (1) 1=0 4640 E (1) LUMO -3 2777σ (1) N+0 4683(for parent benzene nitriles) and η (1) Ⅱ=0 1256 E (1) LUMO -7 3096σ (1) N-0 0759(for para-chloro benzene nitriles).The expressions of GM(0,3) described the relations between inhibition efficiency of carbon steel in hydrochloric acid and molecular structure of compounds of benzene nitriles.Inhibition efficiency of compounds of benzene nitriles to carbon steel in hydrochloric acid mainly related to σ N and E LUMO ,and the more the σ N (absolute value) and the less the E LUMO ,the more the inhibition efficiency.

关 键 词：苯腈类化合物 碳钢 缓蚀 灰色理论 盐酸溶液 

分 类 号：TG174.42[金属学及工艺—金属表面处理]