Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen

Iisa, Kristiina; Kim, Yeonjoon; Orton, Kellene A.; Robichaud, David J.; Katahira, Rui; Watson, Michael J.; Wegener, Evan C.; Nimlos, Mark R.; Schaidle, Joshua A.; Mukarakate, Calvin; Kim, Seonah

doi:10.1039/C9GC03408K

Title: Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen

Abstract

An integrated experimental and computational study to understand the catalytic upgrading of biomass vapors into high yield of alkenes.

Authors:

^[1];

^[1]; Katahira, Rui ^[1];

^[2]; Wegener, Evan C. ^[3];

^[1];

^[1]

National Renewable Energy Laboratory; Golden; USA
Johnson Matthey Technology Centre; Billingham; UK
Chemical Sciences and Engineering Division; Argonne National Laboratory; Lemont; USA

Publication Date:: Wed Jan 29 00:00:00 EST 2020

Research Org.:: National Renewable Energy Laboratory (NREL), Golden, CO (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office

OSTI Identifier:: 1598482

Alternate Identifier(s):: OSTI ID: 1596382; OSTI ID: 1756866

Report Number(s):: NREL/JA-5100-75251
Journal ID: ISSN 1463-9262; GRCHFJ; MainId:18814;UUID:8c3638c3-17f5-e911-9c29-ac162d87dfe5;MainAdminID:7292

Grant/Contract Number:: AC36-08GO28308; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Green Chemistry

Additional Journal Information:: Journal Volume: 22; Journal ID: ISSN 1463-9262

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 09 BIOMASS FUELS; catalytic fast pyrolysis; bioolefins; Ga/ZSM-5; bioaromatics; biomass; co-products; chemicals; CCTPL

Citation Formats


                    Iisa, Kristiina, Kim, Yeonjoon, Orton, Kellene A., Robichaud, David J., Katahira, Rui, Watson, Michael J., Wegener, Evan C., Nimlos, Mark R., Schaidle, Joshua A., Mukarakate, Calvin, and Kim, Seonah. Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen.  United States: N. p., 2020. 
Web.  doi:10.1039/C9GC03408K.

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                    Iisa, Kristiina, Kim, Yeonjoon, Orton, Kellene A., Robichaud, David J., Katahira, Rui, Watson, Michael J., Wegener, Evan C., Nimlos, Mark R., Schaidle, Joshua A., Mukarakate, Calvin, & Kim, Seonah. Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen.  United States.  https://doi.org/10.1039/C9GC03408K

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                    Iisa, Kristiina, Kim, Yeonjoon, Orton, Kellene A., Robichaud, David J., Katahira, Rui, Watson, Michael J., Wegener, Evan C., Nimlos, Mark R., Schaidle, Joshua A., Mukarakate, Calvin, and Kim, Seonah. Wed .  
"Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen".  United States.  https://doi.org/10.1039/C9GC03408K.  https://www.osti.gov/servlets/purl/1598482.

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@article{osti_1598482,

  title        = {Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen},

  author       = {Iisa, Kristiina and Kim, Yeonjoon and Orton, Kellene A. and Robichaud, David J. and Katahira, Rui and Watson, Michael J. and Wegener, Evan C. and Nimlos, Mark R. and Schaidle, Joshua A. and Mukarakate, Calvin and Kim, Seonah},

  abstractNote = {An integrated experimental and computational study to understand the catalytic upgrading of biomass vapors into high yield of alkenes.},

  doi          = {10.1039/C9GC03408K},

  journal      = {Green Chemistry},

  number       = ,

  volume       = 22,

  place        = {United States},

  year         = {Wed Jan 29 00:00:00 EST 2020},

  month        = {Wed Jan 29 00:00:00 EST 2020}

}

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Upgrading biomass pyrolysis vapors over β-zeolites: role of silica-to-alumina ratio
journal, January 2014

Mukarakate, Calvin; Watson, Michael J.; ten Dam, Jeroen
Green Chem., Vol. 16, Issue 12
DOI: 10.1039/C4GC01425A

Catalytic fast pyrolysis of biomass: superior selectivity of hierarchical zeolites to aromatics
journal, January 2017

Jia, L. Y.; Raad, M.; Hamieh, S.
Green Chemistry, Vol. 19, Issue 22
DOI: 10.1039/C7GC02309J

Water-Promoted Hydrocarbon Activation Catalyzed by Binuclear Gallium Sites in ZSM-5 Zeolite
journal, September 2007

Hensen, Emiel J. M.; Pidko, Evgeny A.; Rane, Neelesh
Angewandte Chemie, Vol. 119, Issue 38
DOI: 10.1002/ange.200702463

Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper-Promoted Fe-ZSM-5
journal, April 2012

Hammond, Ceri; Forde, Michael M.; Ab Rahim, Mohd Hasbi
Angewandte Chemie, Vol. 124, Issue 21
DOI: 10.1002/ange.201108706

Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5
journal, March 2005

Heyden, Andreas; Peters, Baron; Bell, Alexis T.
The Journal of Physical Chemistry B, Vol. 109, Issue 10
DOI: 10.1021/jp058049k

Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5.
journal, May 2005

Heyden, Andreas; Peters, Baron; Bell, Alexis T.
ChemInform, Vol. 36, Issue 18
DOI: 10.1002/chin.200518015

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Title: Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen

Abstract

Citation Formats

Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5 † journal, February 2005

Structures and mechanisms of the dehydration of benzaldoxime over Fe-ZSM-5 zeolites: a DFT study journal, November 2012

A comprehensive density functional theory study of ethane dehydrogenation over reduced extra-framework gallium species in ZSM-5 zeolite journal, May 2006

Cluster Model DFT Study of CO Adsorption to Gallium Ions in Ga/HZSM-5 journal, March 2008

Conversion of Guaiacol on Noble Metal Catalysts: Reaction Performance and Deactivation Studies journal, March 2014

Ethanol Dehydration in HZSM-5 Studied by Density Functional Theory: Evidence for a Concerted Process journal, April 2015

Dependence of cracking activity on the Brønsted acidity of Y zeolite: DFT study and experimental confirmation journal, January 2013

Water-Promoted Hydrocarbon Activation Catalyzed by Binuclear Gallium Sites in ZSM-5 Zeolite journal, September 2007

Multiscale Evaluation of Catalytic Upgrading of Biomass Pyrolysis Vapors on Ni- and Ga-Modified ZSM-5 journal, October 2016

Density Functional Theory Calculations of the Effects of Local Composition and Defect Structure on the Proton Affinity of H−ZSM-5 journal, November 1997

DFT Calculations on N 2 O Decomposition by Binuclear Fe Complexes in Fe/ZSM-5 journal, December 2001

Dehydrogenation of Light Alkanes over Isolated Gallyl Ions in Ga/ZSM-5 Zeolites journal, September 2007

Promoted ZSM-5 catalysts for the production of bio-aromatics, a review journal, October 2019

Renewable Chemical Commodity Feedstocks from Integrated Catalytic Processing of Pyrolysis Oils journal, November 2010

Lewis–Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes journal, February 2018

Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts journal, December 2011

Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts journal, December 2011

Computational Modeling of the Nature and Role of Ga Species for Light Alkane Dehydrogenation Catalyzed by Ga/H-MFI journal, May 2018

Characterization of Isolated Ga 3+ Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl 3 journal, May 2018

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals journal, July 2007

Theoretical Investigation of Ethanol Conversion to Ethylene over H–ZSM–5 and Transition Metals–Exchanged ZSM–5 journal, November 2011

Room temperature activation of methane over Zn modified H-ZSM-5 zeolites: Insight from solid-state NMR and theoretical calculations journal, January 2012

In Situ and ex Situ Catalytic Pyrolysis of Pine in a Bench-Scale Fluidized Bed Reactor System journal, December 2015

Comparison of Cu-ZSM-5 Zeolites and Cu-MOF-505 Metal-Organic Frameworks as Heterogeneous Catalysts for the Mukaiyama Aldol Reaction: A DFT Mechanistic Study journal, February 2013

Catalytic upgrading of biomass derived pyrolysis vapors over metal-loaded ZSM-5 zeolites: Effect of different metal cations on the bio-oil final properties journal, June 2015

Catalysts for Production of Lower Olefins from Synthesis Gas: A Review journal, August 2013

Decoupling HZSM-5 Catalyst Activity from Deactivation during Upgrading of Pyrolysis Oil Vapors journal, December 2014

Theoretical Study on the Dehydrogenation Reaction of Alkanes Catalyzed by Zeolites Containing Nonframework Gallium Species journal, February 2006

Catalytic Fast Pyrolysis: Influencing Bio-Oil Quality with the Catalyst-to-Biomass Ratio journal, July 2016

Catalytic fast pyrolysis of lignocellulosic biomass in a process development unit with continual catalyst addition and removal journal, April 2014

N2O decomposition on Fe- and Co-ZSM-5: A density functional study journal, September 2008

Production of low-oxygen bio-oil via ex situ catalytic fast pyrolysis and hydrotreating journal, November 2017

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint journal, September 1988

Catalytic fast pyrolysis with metal-modified ZSM-5 catalysts in inert and hydrogen atmospheres journal, October 2018

On two alternative mechanisms of ethane activation over ZSM-5 zeolite modified by Zn2+ and Ga1+ cations journal, January 2005

Density Functional Theory Study of Nitrous Oxide Decomposition over Fe- and Co-ZSM-5 journal, July 2002

Promoting Deoxygenation of Bio-Oil by Metal-Loaded Hierarchical ZSM-5 Zeolites journal, December 2015

A Density Functional Theory Study of the Interactions of H 2 O with H−ZSM-5, Cu−ZSM-5, and Co−ZSM-5 journal, September 1998

Comparison of in-situ and ex-situ catalytic pyrolysis in a micro-reactor system journal, December 2014

Density Functional Studies of Zeolites. 2. Structure and Acidity of [T]-ZSM-5 Models (T = B, Al, Ga, and Fe) journal, October 1995

High ethane dehydrogenation activity of [GaH]2+Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions journal, March 2007

Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe-ZSM-5 Zeolite journal, November 2012

Deactivation of Multilayered MFI Nanosheet Zeolite during Upgrading of Biomass Pyrolysis Vapors journal, May 2017

A [Cu 2 O] 2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol journal, October 2009

Reaction path following in mass-weighted internal coordinates journal, July 1990

Comparative Studies on Cellulolytic Enzyme Lignin and Milled Wood Lignin of Sweetgum and Spruce journal, January 1975

Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface journal, November 2016

Integrated Biorefining: Coproduction of Renewable Resol Biopolymer for Aqueous Stream Valorization journal, July 2017

Synthesis of Bio-aromatics from Black Liquors Using Catalytic Pyrolysis journal, February 2018

Study on aromatics production via the catalytic pyrolysis vapor upgrading of biomass using metal-loaded modified H-ZSM-5 journal, July 2017

Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction journal, May 2011

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity journal, April 2012

Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes journal, May 2011

Catalytic upgrading of biomass pyrolysis vapors using transition metal-modified ZSM-5 zeolite journal, October 2012

Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper-Promoted Fe-ZSM-5 journal, April 2012

In-situ and ex-situ upgrading of pyrolysis vapors from beetle-killed trees journal, February 2016

Recent Advances in Hydrotreating of Pyrolysis Bio-Oil and Its Oxygen-Containing Model Compounds journal, April 2013

Effect of the Zeolite Cavity on the Mechanism of Dehydrogenation of Light Alkanes over Gallium-Containing Zeolites journal, April 2011

Reactivity of Surface Alkoxy Species on Acidic Zeolite Catalysts journal, August 2008

Fluidized Bed Catalytic Pyrolysis of Eucalyptus over HZSM-5: Effect of Acid Density and Gallium Modification on Catalyst Deactivation journal, January 2018

Characterization and reactivity of Ga+ and GaO+ cations in zeolite ZSM-5 journal, April 2006

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements journal, September 2007

Role of Biopolymers in the Deactivation of ZSM-5 during Catalytic Fast Pyrolysis of Biomass journal, June 2018

Valorization of aqueous waste streams from thermochemical biorefineries journal, January 2019

The roles of gallium hydride and Brønsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis journal, July 2005

Olefins from Biomass Intermediates: A Review journal, December 2017

The Chemical State of Gallium in Working Alkane Dehydrocyclodimerization Catalysts. In situ Gallium K-Edge X-Ray Absorption Spectroscopy journal, March 1993

Real-time monitoring of the deactivation of HZSM-5 during upgrading of pine pyrolysis vapors journal, January 2014

Catalytic pyrolysis of individual components of lignocellulosic biomass journal, January 2014

Aromatics from biomass pyrolysis vapour using a bifunctional mesoporous catalyst journal, January 2014

Effects of pretreatments on state of gallium and aromatization activity of gallium/ZSM-5 catalysts journal, May 1992

Quantum chemical calculation of the catalytic reaction of ethane dehydrogenation on gallium oxide-hydroxide binuclear clusters in oxidized GaO/ZSM-5 zeolite journal, September 2009

DRIFTS study of the chemical state of modifying gallium ions in reduced Ga/ZSM-5 prepared by impregnationI. Observation of gallium hydrides and application of CO adsorption as a molecular probe for reduced gallium ions journal, October 2004

Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES journal, January 2016

Accessibility and Location of Acid Sites in Zeolites as Probed by Fourier Transform Infrared Spectroscopy and Magic Angle Spinning Nuclear Magnetic Resonance journal, July 2018

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal, June 2005

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives journal, April 1999

Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5 ^†
journal, February 2005

Structures and mechanisms of the dehydration of benzaldoxime over Fe-ZSM-5 zeolites: a DFT study
journal, November 2012

A comprehensive density functional theory study of ethane dehydrogenation over reduced extra-framework gallium species in ZSM-5 zeolite
journal, May 2006

Cluster Model DFT Study of CO Adsorption to Gallium Ions in Ga/HZSM-5
journal, March 2008

Conversion of Guaiacol on Noble Metal Catalysts: Reaction Performance and Deactivation Studies
journal, March 2014

Ethanol Dehydration in HZSM-5 Studied by Density Functional Theory: Evidence for a Concerted Process
journal, April 2015

Dependence of cracking activity on the Brønsted acidity of Y zeolite: DFT study and experimental confirmation
journal, January 2013

Water-Promoted Hydrocarbon Activation Catalyzed by Binuclear Gallium Sites in ZSM-5 Zeolite
journal, September 2007

Multiscale Evaluation of Catalytic Upgrading of Biomass Pyrolysis Vapors on Ni- and Ga-Modified ZSM-5
journal, October 2016

Density Functional Theory Calculations of the Effects of Local Composition and Defect Structure on the Proton Affinity of H−ZSM-5
journal, November 1997

DFT Calculations on N ₂ O Decomposition by Binuclear Fe Complexes in Fe/ZSM-5
journal, December 2001

Dehydrogenation of Light Alkanes over Isolated Gallyl Ions in Ga/ZSM-5 Zeolites
journal, September 2007

Promoted ZSM-5 catalysts for the production of bio-aromatics, a review
journal, October 2019

Renewable Chemical Commodity Feedstocks from Integrated Catalytic Processing of Pyrolysis Oils
journal, November 2010

Lewis–Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes
journal, February 2018

Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts
journal, December 2011

Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts
journal, December 2011

Computational Modeling of the Nature and Role of Ga Species for Light Alkane Dehydrogenation Catalyzed by Ga/H-MFI
journal, May 2018

Characterization of Isolated Ga ³⁺ Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl ₃
journal, May 2018

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
journal, July 2007

Theoretical Investigation of Ethanol Conversion to Ethylene over H–ZSM–5 and Transition Metals–Exchanged ZSM–5
journal, November 2011

Room temperature activation of methane over Zn modified H-ZSM-5 zeolites: Insight from solid-state NMR and theoretical calculations
journal, January 2012

In Situ and ex Situ Catalytic Pyrolysis of Pine in a Bench-Scale Fluidized Bed Reactor System
journal, December 2015

Comparison of Cu-ZSM-5 Zeolites and Cu-MOF-505 Metal-Organic Frameworks as Heterogeneous Catalysts for the Mukaiyama Aldol Reaction: A DFT Mechanistic Study
journal, February 2013

Catalytic upgrading of biomass derived pyrolysis vapors over metal-loaded ZSM-5 zeolites: Effect of different metal cations on the bio-oil final properties
journal, June 2015

Catalysts for Production of Lower Olefins from Synthesis Gas: A Review
journal, August 2013

Decoupling HZSM-5 Catalyst Activity from Deactivation during Upgrading of Pyrolysis Oil Vapors
journal, December 2014

Theoretical Study on the Dehydrogenation Reaction of Alkanes Catalyzed by Zeolites Containing Nonframework Gallium Species
journal, February 2006

Catalytic Fast Pyrolysis: Influencing Bio-Oil Quality with the Catalyst-to-Biomass Ratio
journal, July 2016

Catalytic fast pyrolysis of lignocellulosic biomass in a process development unit with continual catalyst addition and removal
journal, April 2014

N2O decomposition on Fe- and Co-ZSM-5: A density functional study
journal, September 2008

Production of low-oxygen bio-oil via ex situ catalytic fast pyrolysis and hydrotreating
journal, November 2017

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
journal, September 1988

Catalytic fast pyrolysis with metal-modified ZSM-5 catalysts in inert and hydrogen atmospheres
journal, October 2018

On two alternative mechanisms of ethane activation over ZSM-5 zeolite modified by Zn2+ and Ga1+ cations
journal, January 2005

Density Functional Theory Study of Nitrous Oxide Decomposition over Fe- and Co-ZSM-5
journal, July 2002

Promoting Deoxygenation of Bio-Oil by Metal-Loaded Hierarchical ZSM-5 Zeolites
journal, December 2015

A Density Functional Theory Study of the Interactions of H 2 O with H−ZSM-5, Cu−ZSM-5, and Co−ZSM-5
journal, September 1998

Comparison of in-situ and ex-situ catalytic pyrolysis in a micro-reactor system
journal, December 2014

Density Functional Studies of Zeolites. 2. Structure and Acidity of [T]-ZSM-5 Models (T = B, Al, Ga, and Fe)
journal, October 1995

High ethane dehydrogenation activity of [GaH]2+Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions
journal, March 2007

Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe-ZSM-5 Zeolite
journal, November 2012

Deactivation of Multilayered MFI Nanosheet Zeolite during Upgrading of Biomass Pyrolysis Vapors
journal, May 2017

A [Cu ₂ O] ²⁺ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol
journal, October 2009

Reaction path following in mass-weighted internal coordinates
journal, July 1990

Comparative Studies on Cellulolytic Enzyme Lignin and Milled Wood Lignin of Sweetgum and Spruce
journal, January 1975

Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface
journal, November 2016

Integrated Biorefining: Coproduction of Renewable Resol Biopolymer for Aqueous Stream Valorization
journal, July 2017

Synthesis of Bio-aromatics from Black Liquors Using Catalytic Pyrolysis
journal, February 2018

Study on aromatics production via the catalytic pyrolysis vapor upgrading of biomass using metal-loaded modified H-ZSM-5
journal, July 2017

Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction
journal, May 2011

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity
journal, April 2012

Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes
journal, May 2011

Catalytic upgrading of biomass pyrolysis vapors using transition metal-modified ZSM-5 zeolite
journal, October 2012

Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper-Promoted Fe-ZSM-5
journal, April 2012

In-situ and ex-situ upgrading of pyrolysis vapors from beetle-killed trees
journal, February 2016

Recent Advances in Hydrotreating of Pyrolysis Bio-Oil and Its Oxygen-Containing Model Compounds
journal, April 2013

Effect of the Zeolite Cavity on the Mechanism of Dehydrogenation of Light Alkanes over Gallium-Containing Zeolites
journal, April 2011

Reactivity of Surface Alkoxy Species on Acidic Zeolite Catalysts
journal, August 2008

Fluidized Bed Catalytic Pyrolysis of Eucalyptus over HZSM-5: Effect of Acid Density and Gallium Modification on Catalyst Deactivation
journal, January 2018

Characterization and reactivity of Ga+ and GaO+ cations in zeolite ZSM-5
journal, April 2006

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
journal, September 2007

Role of Biopolymers in the Deactivation of ZSM-5 during Catalytic Fast Pyrolysis of Biomass
journal, June 2018

Valorization of aqueous waste streams from thermochemical biorefineries
journal, January 2019

The roles of gallium hydride and Brønsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis
journal, July 2005

Olefins from Biomass Intermediates: A Review
journal, December 2017

The Chemical State of Gallium in Working Alkane Dehydrocyclodimerization Catalysts. In situ Gallium K-Edge X-Ray Absorption Spectroscopy
journal, March 1993

Real-time monitoring of the deactivation of HZSM-5 during upgrading of pine pyrolysis vapors
journal, January 2014

Catalytic pyrolysis of individual components of lignocellulosic biomass
journal, January 2014

Aromatics from biomass pyrolysis vapour using a bifunctional mesoporous catalyst
journal, January 2014

Effects of pretreatments on state of gallium and aromatization activity of gallium/ZSM-5 catalysts
journal, May 1992

Quantum chemical calculation of the catalytic reaction of ethane dehydrogenation on gallium oxide-hydroxide binuclear clusters in oxidized GaO/ZSM-5 zeolite
journal, September 2009

DRIFTS study of the chemical state of modifying gallium ions in reduced Ga/ZSM-5 prepared by impregnationI. Observation of gallium hydrides and application of CO adsorption as a molecular probe for reduced gallium ions
journal, October 2004

Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES
journal, January 2016

Accessibility and Location of Acid Sites in Zeolites as Probed by Fourier Transform Infrared Spectroscopy and Magic Angle Spinning Nuclear Magnetic Resonance
journal, July 2018

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
journal, June 2005

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
journal, April 1999

The effects of local structural relaxation on aluminum siting within H-ZSM-5
journal, January 1991

Production of green aromatics and olefins by catalytic fast pyrolysis of wood sawdust
journal, January 2011

Upgrading biomass pyrolysis vapors over β-zeolites: role of silica-to-alumina ratio
journal, January 2014