In order to explore the generation mechanism of perfluoroisobutyronitrile (C4F7N) gas decomposition products under the presence of micro-water, the decomposition process of C4F7N gas and the recombination process after decomposition were investigated when micro-water participated in the reaction. On the basis of density functional theory and transition state theory, the thermodynamic parameters of C4F7N gas under micro-water participation reaction conditions, as well as the generation paths and generation rates of some characteristic products, were calculated. The results show that when micro-water participates in the reaction, the activation energy required for the decomposition of C4F7N gas is lower than that required for the decomposition of dry C4F7N gas. The presence of micro-water makes the C4F7N decompose easier. The reaction rate constant of CHF3 gas is relatively high in the decomposition products of C4F7N gas, and its chemical properties are stable and detectable, which can be used as a characteristic product of C4F7N gas decomposition under the presence of micro-water.
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |