ReaxFF MD模拟揭示的煤热解挥发分自由基反应的竞争与协调
Revealing reaction compromise in competition for volatile radicals during coal pryolysis via ReaxFF MD simulation
ReaxFF MD模拟揭示的煤热解挥发分自由基反应的竞争与协调 |
| 郑默,李晓霞 |
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Revealing reaction compromise in competition for volatile radicals during coal pryolysis via ReaxFF MD simulation |
| Mo ZHENG,Xiaoxia LI |
| 图3 由ReaxFF MD恒温模拟获得的柳林烟煤热解过程中主要产物质量分数在不同温度下随时间的演化规律 |
| Fig.3 Evolving tendencies of mass percentages for major pyrolyzates with time obtained from long-time iso-thermal ReaxFF MD simulations at different temperatures |
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