摘要
将基态氢分子共价键的微观模型推广到NaF,假定NaF离子键成键的微观机理仍然遵循平均电势能密度相等,以此为基础,建立NaF成键的微观模型,采用一种全新的宏观方法计算了NaF的键能,获得的理论计算值为De_(Na-F)=518kJ/mol,理论计算值与实验值几乎完全一致。成键模型简单直观,计算过程极其简单,物理意义明确且计算中未添加任何人为性的参数。
The microscopic mechanism of covalent bonding of hydrogen molecules is extended to NaF ionic bonding,and it is assumed that the microscopic mechanism of NaF bonding is still equal to the average electric potential energy density.Based on this,a NaF bonding model is established,and a new method is used to calculate the bond energy of NaF,and the theoretical calculation value is De_((Na-F))=518 kJ/mol,the theoretical calculation value is consistent with the experimental value,the bonding model is simple and intuitive,the calculation method is extremely simple,the physical meaning is clear and explicit,and the calculation does not include any artificially defined parameters.
作者
何帅
He Shuai(Jinyu Jidong Fengxiang Environmental Protection Technology Co.,Ltd.,Baoji Shaanxi 721400,China)
出处
《山西化工》
CAS
2023年第6期26-27,共2页
Shanxi Chemical Industry
关键词
NAF
键能
平均电势能密度
NaF
bond energy
average electric potential energy density
