Dependence of cracking activity on the Bronsted acidity of Y zeolite: DFT study and experimental confirmation

被引：35
|
作者：
Niwa, Miki [1 ,2 ]
Suzuki, Katsuki [1 ]
Morishita, Nami [1 ]
Sastre, German [3 ]
Okumura, Kazu [1 ]
Katada, Naonobu [1 ]
机构：
[1] Tottori Univ, Dept Chem & Biotechnol, Tottori 6808552, Japan
[2] Nagoya Ind Sci Res Inst, Nagoya, Aichi 4640819, Japan
[3] Univ Politecn Valencia, CSIC, Inst Tecnol Quim, E-46071 Valencia, Spain
来源：
CATALYSIS SCIENCE & TECHNOLOGY | 2013年 / 3卷 / 08期
关键词：
POTENTIAL-ENERGY SURFACE; ALKANE-CRACKING; AB-INITIO; IRMS-TPD; ULTRASOFT PSEUDOPOTENTIALS; CATALYTIC-ACTIVITY; IDENTIFICATION; ACTIVATION; STRENGTH; ENTHALPY;
D O I：
10.1039/c3cy00195d
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Dependence of the activity for alkane cracking on the Bronsted acidity of HY and cation exchanged HY zeolites was clearly revealed by the periodic DFT calculation and the experimental confirmation.
引用
收藏
页码：1919 / 1927
页数：9
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