Structural Parameters of A_a-B_b-C_c Type Hydrogen Bonding Networks
Ning Yao · Journal of Shanxi University · 2011
Based on the statistical theory of polymer reaction,the hydrogen bonding solution model system is investigated.As far as the A2-B3-C2 type hydrogen bonding solution is concerned,the results show that with the increase of extent of reaction,the number of molecules in sol region decreases,while the numbers of elastic effective chains and their structural units increase as well as effective cross-linkages.Interestingly,the number of dangling structural units firstly increases and then decreases with the increase of extent of reaction.These results indicate that the structure of cluster tends to be compact with the increase of extent of reaction as expection.In addition,the non-equal reactivity of proton-donors is taken into accounted in the calculation,and the result shows that it also has significant effect on the hydrogen bonded networks.