计算化学数据与图形在普通化学教学中的运用
林丽榕,邓顺柳,陈小兰,孔祥建

Application of the Data and Graphics of Computational Chemistry into General Chemistry Teaching
Lirong LIN,Shunliu DENG,Xiaolan CHEN,Xiangjian KONG
表1 几种单质和化合物的标准生成焓和标准熵数据比较[9-12]
Substance Experimental (298.15 K) Calculated (298.15 K)
ΔfHmϴ/(kJ·mol-1) Smϴ/(J·mol-1·K-1) ΔfHmϴ/(kJ·mol-1) Smϴ/(J·mol-1·K-1)
H2 0 130.7 - 130
N2 0 191.6 - 191.4
F2 0 202.8 - 201.9
CO -110.5 197.7 -117.8 197.3
CO2 -393.5 213.8 -404.2 213.6
CH4 -74.6 186.4 -77.7 186
HF -273.3 173.8 -276.7 173.5
HCN -131.7 201 -131.7 201.4
NH3 -45.9 192.8 -45.1 192.7
PH3 8.4 210.2 8.4 209.8