摘要
本文综述了表面活性剂定量结构 -活性 /性质相关 ( QSAR/ QSPR)研究的最新进展 ,以及相关结构描述符在表面活性剂 QSAR/ QSPR研究中的应用。重点介绍了表面活性剂的 cmc和表面张力 γ与分子结构的定量关系、离子型表面活性剂电荷分布的定量计算及其对胶体结构与性质的影响。对表面活性剂分子结构与活性 /性质的定量相关研究的发展趋势进行了展望。
The recent progress in QSAR/QSPR studies of surfactants and the applications of various structure descriptors has been reviewed. A quantitative structure-property relationship studie on the critical micelle concentration (cmc) of surfactants and the surface tension with charged partial surface area (CPSA) descriptors has been introduced. The charge distribution in ionic surfactants by quantum-chemical calculation and the structure-property of the colloid, which influences properties of surfactant, has also been introduced. The trend of QSAR/QSPR studies on some other properties of surfactants has been discussed.
出处
《化学进展》
SCIE
CAS
CSCD
2003年第5期351-360,共10页
Progress in Chemistry
基金
国家自然科学基金 (No.2 99730 2 3)
贵州科技厅科技自然基金 (2 0 0 0 / 30 79)资助项目
