Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations

X-ray Imaging of Zeolite Particles at the Nanoscale: Influence of Steaming on the State of Aluminum and the Methanol-To-Olefin Reaction

(2012) Luis R. Aramburo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity

(2012) Unni Olsbye et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Methylation of benzene by methanol: Single-site kinetics over H-ZSM-5 and H-beta zeolite catalysts

(2012) Jeroen Van der Mynsbrugge et al.   JOURNAL OF CATALYSIS

Beyond Petrochemicals: The Renewable Chemicals Industry

(2011) P. N. R. Vennestrøm et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34

(2011) Karen Hemelsoet et al.   CATALYSIS TODAY

How defects and crystal morphology control the effects of desilication

(2011) Stian Svelle et al.   CATALYSIS TODAY

Theoretical Simulations Elucidate the Role of Naphthalenic Species during Methanol Conversion within H-SAPO-34

(2011) Karen Hemelsoet et al.   CHEMISTRY-A EUROPEAN JOURNAL

Coke Formation during the Methanol-to-Olefin Conversion: In Situ Microspectroscopy on Individual H-ZSM-5 Crystals with Different Brønsted Acidity

(2011) Davide Mores et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Porosity, Acidity, and Reactivity of Dealuminated Zeolite ZSM-5 at the Single Particle Level: The Influence of the Zeolite Architecture

(2011) Luis R. Aramburo et al.   CHEMISTRY-A EUROPEAN JOURNAL

Structure–deactivation relationship for ZSM-5 catalysts governed by framework defects

(2011) Katia Barbera et al.   JOURNAL OF CATALYSIS

Kinetics and mechanism of olefin methylation reactions on zeolites

(2011) Ian M. Hill et al.   JOURNAL OF 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

FTIR and 27Al MAS NMR analysis of the effect of framework Al- and Si-defects in micro- and micro-mesoporous H-ZSM-5 on conversion of methanol to hydrocarbons

(2011) Petr Sazama et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Mechanistic Aspects of the Zeolite Catalyzed Methylation of Alkenes and Aromatics with Methanol: A Review

(2011) Stian Svelle et al.   TOPICS IN CATALYSIS

In Situ FT-IR Mechanistic Investigations of the Zeolite Catalyzed Methylation of Benzene with Methanol: H-ZSM-5 versus H-beta

(2011) Saepurahman et al.   TOPICS IN CATALYSIS

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

(2010) Bun Chan et al.   CANADIAN JOURNAL OF CHEMISTRY

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

Methanol to hydrocarbons over large cavity zeolites: Toward a unified description of catalyst deactivation and the reaction mechanism

(2010) Morten Bjørgen et al.   JOURNAL OF CATALYSIS

TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics

(2010) An Ghysels et al.   Journal of Chemical Information and Modeling

Mechanistic Proposal for the Zeolite Catalyzed Methylation of Aromatic Compounds

(2010) Stian Svelle et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions

(2010) Veronique Van Speybroeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selectivity control through fundamental mechanistic insight in the conversion of methanol to hydrocarbons over zeolites

(2010) Shewangizaw Teketel et al.   MICROPOROUS AND MESOPOROUS MATERIALS

The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study

(2009) Karen Hemelsoet et al.   ChemCatChem

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

Product shape selectivity dominates the Methanol-to-Olefins (MTO) reaction over H-SAPO-34 catalysts

(2009) Bart P.C. Hereijgers et al.   JOURNAL OF CATALYSIS

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

Reaction Mechanisms of the Methylation of Ethene with Methanol and Dimethyl Ether over H-ZSM-5: An ONIOM Study

(2009) T. Maihom et al.   Journal of Physical Chemistry C

Morphology-dependent zeolite intergrowth structures leading to distinct internal and outer-surface molecular diffusion barriers

(2009) Lukasz Karwacki et al.   NATURE MATERIALS

Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates

(2009) David Lesthaeghe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Effect of Acid Strength on the Conversion of Methanol to Olefins Over Acidic Microporous Catalysts with the CHA Topology

(2009) Francesca Bleken et al.   TOPICS IN CATALYSIS

A Link between Reactivity and Local Structure in Acid Catalysis on Zeolites

(2008) Aditya Bhan et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Space- and Time-Resolved In-situ Spectroscopy on the Coke Formation in Molecular Sieves: Methanol-to-Olefin Conversion over H-ZSM-5 and H-SAPO-34

(2008) Davide Mores et al.   CHEMISTRY-A EUROPEAN JOURNAL

Direct observation of olefin homologations on zeolite ZSM-22 and its implications to methanol to olefin conversion

(2008) Z CUI et al.   JOURNAL OF CATALYSIS

ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks

(2008) T. Verstraelen et al.   Journal of Chemical Information and Modeling

Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian Approach

(2008) A. Ghysels et al.   Journal of Chemical Theory and Computation

Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods

(2008) Yan Zhao et al.   Journal of Physical Chemistry C

Conversion of Methanol to Hydrocarbons: Spectroscopic Characterization of Carbonaceous Species Formed over H-ZSM-5

(2008) Luisa Palumbo et al.   Journal of Physical Chemistry C

Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers

(2008) Stian Svelle et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY