计算化学数据与图形在普通化学教学中的运用
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林丽榕,邓顺柳,陈小兰,孔祥建
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Application of the Data and Graphics of Computational Chemistry into General Chemistry Teaching
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Lirong LIN,Shunliu DENG,Xiaolan CHEN,Xiangjian KONG
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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]
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| 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 |
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