摘要
用图论的方法研究了正烷烃、烷基苯及烷基苯磺酸盐类表面活性剂分子的ＥＡＣＮ（Ｅｑｕｉｖａｌｅｎｔ Ａｌｋａｎｅ Ｃａｒｂｏｎ Ｎｕｍｂｅｒ）值与分子结构间的关系，发现分子的ＥＡＣＮ 值与Ｗｉｅｎｅｒ 指数和极性数有良好的线性相关性．据此定义一个新的Ｗｉｅｎｅｒ 数Ｗ′，得到一个通用关联式，其计算值与实验值吻合很好，对大量不同分子量的表面活性剂及其异构体的预测结果也与实验规律一致．
The relationship between the EACN values of alkane,alkylbenzene,alkyl phenyl sulfonate and their molecular structure was studied by graph theory.It was found that there is a good linear relativity between EACN values and Weiner number and polarity number.A correlation with a modified Weiner number was obtained which can predict the EACN values of hydrocarbon and alkyl phenyl sulfonate according to their molecular structure.The predicted results show the consistency with the experimental regularity.
出处
《环境科学学报》
CAS
CSCD
北大核心
1999年第4期384-389,共6页
Acta Scientiae Circumstantiae
基金
国家自然科学基金
上海市教委科技发展基金
