基于化学元素与化学键的无向化学键网动态研究

摘要

为分析无向化学键网络拓扑结构随时间变化的动态演化规律, 从4 274个二元化合物中提取97个化学元素和2 198个化学键, 搭建无向化学键网络;利用元素发现时间, 搭建对应演化网络.研究表明, 演化网络规模随时间变化稳定增加, 网络密度、平均度、平均路径长度等指标随时间变化在固定值上下波动.部分参数变化的转折点一定程度上反映了人类科技发展的变化情况.演化网络研究可反映该无向网络拓扑结构的动态稳定性, 证明了化学元素—化学键系统的复杂性与特殊性.%To analyze dynamic evolution laws of structure of the undirected chemical bond network with time, this paper extracts 97 chemical elements and 2 198 chemical bonds from the data of 4 274 binary compounds to build the undirected chemical bond network, and collects discovery time of elements to build the corresponding evolution network.This research shows that the scale of the evolution network increases steadily with time increasing, while its topological parameters fluctuates at a fixed value, such as network density, average degree and average path length.Turning points of changing trends of some parameters reflects the changes of development in human science and technology to some extent.Research of the evolution network reflects the dynamic stability of the undirected chemical bond network and shows the complexity and specificity of the chemical element-chemical bond system.