Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool
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Title
Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool
Authors
Keywords
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Journal
Catalysis Science & Technology
Volume 6, Issue 9, Pages 3279-3288
Publisher
Royal Society of Chemistry (RSC)
Online
2015-12-09
DOI
10.1039/c5cy01419k
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Note: Only part of the references are listed.- Identification oftert-Butyl Cations in Zeolite H-ZSM-5: Evidence from NMR Spectroscopy and DFT Calculations
- (2015) Weili Dai et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Morphology-induced shape selectivity in zeolite catalysis
- (2015) Shewangizaw Teketel et al. JOURNAL OF CATALYSIS
- Mechanistic studies of methanol-to-hydrocarbons conversion on diffusion-free MFI samples
- (2015) Rachit Khare et al. JOURNAL OF CATALYSIS
- Methanol to Olefins over H-MCM-22 Zeolite: Theoretical Study on the Catalytic Roles of Various Pores
- (2015) Sen Wang et al. ACS Catalysis
- Methanol to Olefins (MTO): From Fundamentals to Commercialization
- (2015) Peng Tian et al. ACS Catalysis
- Transition-state scaling relations in zeolite catalysis: influence of framework topology and acid-site reactivity
- (2015) Chuan-Ming Wang et al. Catalysis Science & Technology
- Slight channel difference influences the reaction pathway of methanol-to-olefins conversion over acidic H-ZSM-22 and H-ZSM-12 zeolites
- (2015) Yueying Chu et al. Catalysis Science & Technology
- Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span model
- (2015) Chuan-Ming Wang et al. Catalysis Science & Technology
- Insight into the Formation and Reactivity of Framework-Bound Methoxide Species in H-ZSM-5 from Static and Dynamic Molecular Simulations
- (2014) Jeroen Van der Mynsbrugge et al. ChemCatChem
- First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
- (2014) Veronique Van Speybroeck et al. CHEMICAL SOCIETY REVIEWS
- New Insight into the Hydrocarbon-Pool Chemistry of the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 from GC-MS, Solid-State NMR Spectroscopy, and DFT Calculations
- (2014) Chao Wang et al. CHEMISTRY-A EUROPEAN JOURNAL
- Methanol-to-hydrocarbons conversion: The alkene methylation pathway
- (2014) Rasmus Y. Brogaard et al. JOURNAL OF CATALYSIS
- On reaction pathways in the conversion of methanol to hydrocarbons on HZSM-5
- (2014) Xianyong Sun et al. JOURNAL OF CATALYSIS
- On the impact of co-feeding aromatics and olefins for the methanol-to-olefins reaction on HZSM-5
- (2014) Xianyong Sun et al. JOURNAL OF CATALYSIS
- Methanol–Alkene Reactions in Zeotype Acid Catalysts: Insights from a Descriptor-Based Approach and Microkinetic Modeling
- (2014) Rasmus Y. Brogaard et al. ACS Catalysis
- Understanding the Early Stages of the Methanol-to-Olefin Conversion on H-SAPO-34
- (2014) Weili Dai et al. ACS Catalysis
- Verification of the dual cycle mechanism for methanol-to-olefin conversion in HSAPO-34: a methylbenzene-based cycle from DFT calculations
- (2014) Chuan-Ming Wang et al. Catalysis Science & Technology
- Insight into the topology effect on the diffusion of ethene and propene in zeolites: A molecular dynamics simulation study
- (2014) Chuanming Wang et al. Journal of Energy Chemistry
- The influence of catalyst acid strength on the methanol to hydrocarbons (MTH) reaction
- (2013) Marius Westgård Erichsen et al. CATALYSIS TODAY
- Enthalpy and Entropy Barriers Explain the Effects of Topology on the Kinetics of Zeolite-Catalyzed Reactions
- (2013) Jeroen Van der Mynsbrugge et al. CHEMISTRY-A EUROPEAN JOURNAL
- Unraveling the Reaction Mechanisms Governing Methanol-to-Olefins Catalysis by Theory and Experiment
- (2013) Karen Hemelsoet et al. CHEMPHYSCHEM
- Insights into the reaction mechanism of methanol-to-olefins conversion in HSAPO-34 from first principles: Are olefins themselves the dominating hydrocarbon pool species?
- (2013) Chuan-Ming Wang et al. JOURNAL OF CATALYSIS
- Tetramethylbenzenium radical cations as major active intermediates of methanol-to-olefin conversions over phosphorous-modified HZSM-5 zeolites
- (2013) Hoi-Gu Jang et al. JOURNAL OF CATALYSIS
- Guest–host interactions of arenes in H-ZSM-5 and their impact on methanol-to-hydrocarbons deactivation processes
- (2013) Rasmus Y. Brogaard et al. JOURNAL OF CATALYSIS
- Complete low-barrier side-chain route for olefin formation during methanol conversion in H-SAPO-34
- (2013) Kristof De Wispelaere et al. JOURNAL OF CATALYSIS
- The mechanism of aromatic dealkylation in methanol-to-hydrocarbons conversion on H-ZSM-5: What are the aromatic precursors to light olefins?
- (2013) Samia Ilias et al. JOURNAL OF CATALYSIS
- β-Scission of Olefins on Acidic Zeolites: A Periodic PBE-D Study in H-ZSM-5
- (2013) Mark N. Mazar et al. Journal of Physical Chemistry C
- Molecular Dynamics Kinetic Study on the Zeolite-Catalyzed Benzene Methylation in ZSM-5
- (2013) Samuel L. C. Moors et al. ACS Catalysis
- Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity
- (2012) Unni Olsbye et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Theoretical insight into the minor role of paring mechanism in the methanol-to-olefins conversion within HSAPO-34 catalyst
- (2012) Chuan-Ming Wang et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
- (2012) Jess Wellendorff et al. PHYSICAL REVIEW B
- Mechanism of the Catalytic Conversion of Methanol to Hydrocarbons
- (2012) Samia Ilias et al. ACS Catalysis
- Effect of Cage Size on the Selective Conversion of Methanol to Light Olefins
- (2012) Yashodhan Bhawe et al. ACS Catalysis
- Observation of Heptamethylbenzenium Cation over SAPO-Type Molecular Sieve DNL-6 under Real MTO Conversion Conditions
- (2011) Jinzhe Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Methanol-to-Olefin Conversion on Silicoaluminophosphate Catalysts: Effect of Brønsted Acid Sites and Framework Structures
- (2011) Weili Dai et al. ACS Catalysis
- Shape Selectivity in the Conversion of Methanol to Hydrocarbons: The Catalytic Performance of One-Dimensional 10-Ring Zeolites: ZSM-22, ZSM-23, ZSM-48, and EU-1
- (2011) Shewangizaw Teketel et al. ACS Catalysis
- How to Conceptualize Catalytic Cycles? The Energetic Span Model
- (2010) Sebastian Kozuch et al. ACCOUNTS OF CHEMICAL RESEARCH
- Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5
- (2010) David Lesthaeghe et al. ChemCatChem
- Catalytic activity and selectivity of methylbenzenes in HSAPO-34 catalyst for the methanol-to-olefins conversion from first principles
- (2010) Chuan-Ming Wang et al. JOURNAL OF CATALYSIS
- Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study
- (2010) Niels Hansen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
- (2010) Veronique Van Speybroeck et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical Insights on Methylbenzene Side-Chain Growth in ZSM-5 Zeolites for Methanol-to-Olefin Conversion
- (2009) David Lesthaeghe et al. CHEMISTRY-A EUROPEAN JOURNAL
- Methanol to Olefin Conversion on HSAPO-34 Zeolite from Periodic Density Functional Theory Calculations: A Complete Cycle of Side Chain Hydrocarbon Pool Mechanism
- (2009) Chuan-Ming Wang et al. Journal of Physical Chemistry C
- A Complete Catalytic Cycle for Supramolecular Methanol‐to‐Olefins Conversion by Linking Theory with Experiment
- (2008) David M. McCann et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Selective production of propylene from methanol: Mesoporosity development in high silica HZSM-5
- (2008) C MEI et al. JOURNAL OF CATALYSIS
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