| 煤转化等离子反应器中氢和氩的特性 |
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| 引用本文： | 吕永康,庞先勇.煤转化等离子反应器中氢和氩的特性[J].煤炭转化,1998,21(2):50-52. |
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| 作者姓名： | 吕永康 庞先勇 |
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| 作者单位： | 太原理工大学!030024，太原，太原理工大学!030024，太原，太原理工大学!030024，太原 |
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| 摘 要： | 应用量子化学从头计算法，在ＱＣＩＳＣ／６－３１Ｇ＾＊＊水平上对在煤转化等离子体反应器的工作气体Ａｒ和Ｈ２进行了量子化学计算。根据计算结果，应用统计力学方法研究Ｈ２／Ａｒ的改变对反应器内的热容和导热率的影响。研究表明：热容量随Ｈ２物质量分数增加是由于Ｈ２和Ｈ２＾＋转动、振动被激发，导热率的同样特点是由于电子数的增加。
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| 关 键 词： | 等离子体反应器 煤转化 氯 氩 |
THE CHARACTERISTIC OF H_2 AND Ar IN PLASMA-COAL-CONVERSION REACTOR |
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| Lu Yongkang, Pang Xianyong and Xie Kechang.THE CHARACTERISTIC OF H_2 AND Ar IN PLASMA-COAL-CONVERSION REACTOR[J].Coal Conversion,1998,21(2):50-52. |
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| Authors: | Lu Yongkang Pang Xianyong and Xie Kechang |
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| Abstract: | By using ab initio method at QCISD/6-31G level, working-gas. H2 Ar inplasma-coal-conversion reactor have been calculated and their specific heat and thermal conductiv-ity investigated with statistical mechanics in this paper. The results indicated that the specificheat and thermal conductivity enhanced with increasment of H2/Ar, due to rotation, vibrationand densifying electrons, respectively. |
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| Keywords: | plasma reactor coal conversion specific heat thermal conductivity statistical mechanics |
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