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5. The Structure and Adsorption Properties of Isomorphously Substituted FAU Zeolite:A DFT Study

The Structure and Adsorption Properties of Isomorphously Substituted FAU Zeolite:A DFT Study

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：liongliong420

【摘 要】

：

　　The adsorption of oxygenated chemicals(methanol,dimethyl ether,prop ionaldehyde)in channel structure of FAU type zeolite β cage,as well as the modification

【作 者】

：

YANGBingxing[1]YELingping[1]GUHuijie[1]XUHuasheng[2]LUOYong[1]LIHuiying[3] 

【机 构】

：

State Key Laboratory of Polyolefins and catalysis,Shanghai 200062,P.R.China

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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论文部分内容阅读

　　The adsorption of oxygenated chemicals(methanol,dimethyl ether,prop ionaldehyde)in channel structure of FAU type zeolite β cage,as well as the modification mechanism of Zn/Ca isomorphous substitution have been investigated by using density functional theory calculations.

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