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2 results on '"CHENLi-ping(陈丽萍)"'

1. A study of the methane's hydroxyl-activate-reforming with carbon dioxide over nickel(镍基上羟基活化催化CH4-CO2重整的理论计算)

Author

XUWen-yuan(徐文媛), HULin(胡林), LONGWei(龙威), DURui-huan(杜瑞焕), and CHENLi-ping(陈丽萍)

Subjects
ch4—co2重整, 过渡态, 羟基活化, 理论计算, Electronic computers. Computer science, QA75.5-76.95, Physics, QC1-999
Abstract

采用DFT(B3LYP)结合二级微扰MP2/6-311 + G(2d，p)方法计算镍基催化剂上羟基活化催化CH4 — CO2重整制合成气的反应机理，比较并探究了重整反应机理中的各种通道.计算结果表明，重整反应包含22步，关键反应式1-1，2，3，4-1，4-2，6-4的正反应活化能分别为44.718，201.353，265.713，104.603，61.739和99.331 kJ • mol-1.重整的速控步是式3表示的羟基的产生过程，甲烷的分解以脱1个H为主，基团CH3Ni具有较高的活性，可以通过2种方式与羟基反应，生成CH2OH基团继而裂解成甲醛.

Published
2013
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2. Study on the redistribution of chlolrotrimethyl and trichlolromethyl silane —Contrast of ZSM-5 series catalysts and their theoretic explanation(M1和M3的歧化反应-ZSM-5系列催化剂效果对比及其理论解释)

Author

XUWen-yuan(徐文媛), LIUXian-liang(刘显亮), CHENLi-ping(陈丽萍), HAOWei(郝伟), HEZhong-yi(何忠义), ZHONGYun(钟昀), and HULin(胡林)

Subjects
zsm-5, 歧化, 理论, 催化剂, Electronic computers. Computer science, QA75.5-76.95, Physics, QC1-999
Abstract

前期工作表明,AlCl3有较好的催化一甲基三氯硅烷和三甲基氯硅烷以制备二甲基二氯硅烷的活性,载体中ZSM-5分子筛效果最好.故对ZSM-5系列催化剂（包括NaAlCl4/ZSM-5、AlCl3/ZSM-5及AlCl3与NaCl机械混合的催化剂）的催化效果进行了对比研究,并用量子化学计算提出了所得结果的理论解释.结果表明,这几组催化剂中NaAlCl4/ZSM-5催化效果最好.

Published
2009
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