Understanding the failure of direct C-C coupling in the zeolite-catalyzed methanol-to-olefin process

被引:211
作者
Lesthaeghe, D
Van Speybroeck, V
Marin, GB
Waroquier, M
机构
[1] Univ Ghent, Ctr Mol Modeling, B-9000 Ghent, Belgium
[2] Univ Ghent, Lab Petrochem Tech, B-9000 Ghent, Belgium
关键词
D O I
10.1002/anie.200503824
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) You are the weakest link, goodbye! Many individual steps of the direct mechanisms in the methanol-to-olefin process are tied together in an integrated scheme, allowing a simple identification of the weakest links. Calculations show that a combined pathway from methanol directly to ethylene does not exist and no C-C bond can be formed directly. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:1714 / 1719
页数:6
相关论文
共 28 条
[1]   Theoretical study of the methylbenzene side-chain hydrocarbon pool mechanism in methanol to olefin catalysis [J].
Arstad, B ;
Nicholas, JB ;
Haw, JF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (09) :2991-3001
[2]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[3]   Theoretical study of the mechanism of surface methoxy and dimethyl ether formation from methanol catalyzed by zeolitic protons [J].
Blaszkowski, SR ;
vanSanten, RA .
JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (13) :2292-2305
[4]   Theoretical study of C-C bond formation in the methanol-to-gasoline process [J].
Blaszkowski, SR ;
vanSanten, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (21) :5020-5027
[5]   ON THE REACTION-MECHANISM FOR HYDROCARBON FORMATION FROM METHANOL OVER SAPO-34 .1. ISOTOPIC LABELING STUDIES OF THE CO-REACTION OF ETHENE AND METHANOL [J].
DAHL, IM ;
KOLBOE, S .
JOURNAL OF CATALYSIS, 1994, 149 (02) :458-464
[6]   The conversion of methanol to olefins: a transient kinetic study [J].
Dewaele, O ;
Geers, VL ;
Froment, GF ;
Marin, GB .
CHEMICAL ENGINEERING SCIENCE, 1999, 54 (20) :4385-4395
[7]  
Frisch M., 2003, Gaussian, revision B
[8]  
Haw J. F., 2003, HDB ZEOLITE SCI TECH, P833
[9]   Roles for cyclopentenyl cations in the synthesis of hydrocarbons from methanol on zeolite catalyst HZSM-5 [J].
Haw, JF ;
Nicholas, JB ;
Song, WG ;
Deng, F ;
Wang, ZK ;
Xu, T ;
Heneghan, CS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (19) :4763-4775
[10]  
Hytha M, 2001, CHEM-EUR J, V7, P2521, DOI 10.1002/1521-3765(20010618)7:12<2521::AID-CHEM25210>3.0.CO