摘要
利用溶胶-凝胶分配理论对氢键溶液的模型体系进行研究,给出了体系的凝胶化条件以及凝胶点后氢键网络中各类结构参数的计算方案,并进行了相应的数值计算.结果表明,当两类质子受体基团的活性不同时,质子受体基团的竞争作用对网络结构有一定影响.这为控制氢键网络结构特征提供了可能的理论线索.
Structural parameters of hydrogen bonded network formed in a model system of hydrogen bonding solutions were studied on the basis of the sol-gel partition theory. With the proposed method, the gelation condition, the theoretical and numerical results of these structural parameters were presented in the cases that there exist the activity differences between the proton-donors and proton-accepters. It is shown that the activity difference can give rise to influence on the hydrogen bonded networks. This provides a possible theoretical clue to control the hydrogen bonded networks.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2007年第3期506-509,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金(批准号:20303006)
河北省自然科学基金(批准号:B2006000959)资助
关键词
氢键网络
结构参数
溶胶-凝胶相变
Hydrogen bonded network
Structural parameters
Sol-gel phase transition
