Product selectivity in methanol to hydrocarbon conversion for isostructural compositions of AFI and CHA molecular sieves

1994 ◽  
Vol 2 (2) ◽  
pp. 105-117 ◽  
Author(s):  
Lun-Teh Yuen ◽  
S.I. Zones ◽  
T.V. Harris ◽  
E.J. Gallegos ◽  
A. Auroux
Keyword(s):  
Molecular Sieves ◽  
Product Selectivity ◽  
Hydrocarbon Conversion ◽  
Methanol To Hydrocarbon

Ti-Oxo Radicals and Product Selectivity in Olefin Oxidations over Titanosilicate Molecular Sieves

2005 ◽  
Vol 219 (7-2005) ◽  
pp. 905-920 ◽  
Author(s):  
Vasudev N. Shetti ◽  
D. Srinivas ◽  
P. Ratnasamy
Keyword(s):  
Molecular Sieves ◽  
Product Selectivity

A computational study of methanol-to-hydrocarbon conversion — Towards the design of a low-barrier process

2010 ◽  
Vol 88 (8) ◽  
pp. 866-876 ◽  
Author(s):  
Bun Chan ◽  
Leo Radom
Keyword(s):  
Quantum Chemistry ◽  
Computational Study ◽  
Carbon Pool ◽  
Low Energy ◽  
Zeolite Catalysts ◽  
Hydrocarbon Conversion ◽  
Aromatic Carbon ◽  
Computational Quantum Chemistry ◽  
Methanol To Hydrocarbon ◽  
Computational Quantum

Computational quantum chemistry has been employed to examine the production of ethylene with methanol-to-hydrocarbon (MTH) processes via a carbon pool mechanism. We find that the M05-2X functional performs well for the types of reactions that are involved. The methylation reactions of the aromatic cocatalyst are the most energy-demanding steps in the process. For the subsequent production of C2H4, we have identified a low-energy pathway that involves multiple methyl shifts, followed by concerted deprotonation and C2H4 elimination. The substitutions of the Al and Si atoms in the participating Si–OH–Al moiety of zeolite catalysts with Ga and Ge do not lead to lower barriers for the methylation reactions, nor does the use of a more electron-rich aromatic cocatalyst. However, we find that the use of two cocatalysts, a nucleophile and an aromatic carbon pool, can provide an overall low-energy pathway for the MTH process.

π‐Interactions between Cyclic Carbocations and Aromatics Cause Zeolite Deactivation in Methanol‐to‐Hydrocarbon Conversion

2020 ◽  
Vol 59 (18) ◽  
pp. 7198-7202 ◽  
Author(s):  
Chao Wang ◽  
Min Hu ◽  
Yueying Chu ◽  
Xue Zhou ◽  
Qiang Wang ◽  
...  
Keyword(s):  
Hydrocarbon Conversion ◽  
Π Interactions ◽  
Methanol To Hydrocarbon

scholarly journals Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy

2020 ◽  
Vol 22 (34) ◽  
pp. 18849-18859
Author(s):  
Ivalina B. Minova ◽  
Santhosh K. Matam ◽  
Alex Greenaway ◽  
C. Richard A. Catlow ◽  
Mark D. Frogley ◽  
...  
Keyword(s):  
Induction Period ◽  
Single Crystals ◽  
Crystal Size ◽  
Hydrocarbon Conversion ◽  
Infrared Microspectroscopy ◽  
Hydrocarbon Pool ◽  
Methanol To Hydrocarbon ◽  
Increasing Temperature

The induction period for alkene formation from methanol in single crystals of HZSM-5 decreases with decreasing crystal size and increasing temperature and hydrocarbon pool species are formed almost instantaneously at higher temperatures.

π‐Interactions between Cyclic Carbocations and Aromatics Cause Zeolite Deactivation in Methanol‐to‐Hydrocarbon Conversion

2020 ◽  
Vol 132 (18) ◽  
pp. 7265-7269 ◽  
Author(s):  
Chao Wang ◽  
Min Hu ◽  
Yueying Chu ◽  
Xue Zhou ◽  
Qiang Wang ◽  
...  
Keyword(s):  
Hydrocarbon Conversion ◽  
Π Interactions ◽  
Methanol To Hydrocarbon

Verifying the dominant catalytic cycle of the methanol-to-hydrocarbon conversion over SAPO-41

2014 ◽  
Vol 4 (3) ◽  
pp. 688-696 ◽  
Author(s):  
Xin Wang ◽  
Weili Dai ◽  
Guangjun Wu ◽  
Landong Li ◽  
Naijia Guan ◽  
...  
Keyword(s):  
Catalytic Cycle ◽  
Hydrocarbon Conversion ◽  
Methanol To Hydrocarbon
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