Models for Lignocellulose Thermochemical Conversion

Informations projet

Mod-L-T

N° de convention de subvention: 101002649

DOI

10.3030/101002649

Date de signature de la CE 17 Août 2021

Date de début 1 Janvier 2022

Date de fin 31 Decembre 2026

Financé au titre de

• EXCELLENT SCIENCE - European Research Council (ERC)

Coût total

€ 1 943 146,88

Contribution de l’UE

€ 1 943 146,88

Coordonné par

THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN
Ireland

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Publications

Other (15)

A Hierarchical Surrogate Approach to Biomass Ethanolysis Reaction Kinetic Modelling

Auteurs: Ailís O’Shea; Conall McNamara; Prajwal Rao; Andrew Ure; Mohammad Reza Ghaani; Andrew Ross; Stephen Dooley
Publié dans: MaREI Symposium 2024, 2024
Éditeur: MaREI Symposium 2024

Acid Catalysed Alcoholysis of Lignocellulosic Biomass to Advanced Biofuels

Auteurs: Ailís O’Shea; Conall McNamara; Prajwal Rao; Andrew Ure; Mohammad Reza Ghaani; Andrew Ross; Stephen Dooley
Publié dans: 31st European Biomass Conference and Exhibition, 2023
Éditeur: 31st European Biomass Conference and Exhibition

Thermogravimetric analysis, quantum chemistry and reaction kinetic model for hemicellulose fast pyrolysis

Auteurs: Jacopo Lupi; Mark Kelly; Ailís O'Shea; Mohammad Reza Ghaani; Stephen Dooley.
Publié dans: National High-Performance Compute & Data Ecosystem Symposium 2022, 2022
Éditeur: HiCoDES 2022

Solution Phase Chemical Kinetic Modelling of the Acid Catalysed Ethanolysis of Lignocellulosic Biomass

Auteurs: Ailís O’Shea; Prajwal Rao; Conall McNamara; Stephen Dooley
Publié dans: MaREI Symposium 2022, 2022
Éditeur: MaREI Symposium 2022

Thermokinetic Insights of Functionalized β-d-Xylopyranose

Auteurs: Leandro Ayarde-Henríquez; Jacopo Lupi; Bernanrdo Ballotta; Stephen Dooley
Publié dans: PCCP 25th Anniversary Symposium, 2024
Éditeur: PCCP 25th Anniversary Symposium

CO2 Loss into Solution: An Experimental Investigation of CO2 Electrolysis with a Membrane Electrode Assembly Cell

Auteurs: Weiming Liu; Harry Dunne; Bernardo Ballotta; Allyssa Massie; Kim McKelvey; Mohammad Reza Ghaani; Stephen Dooley
Publié dans: ACS Applied Energy Materials, Numéro Accepted August 2024, 2024
Éditeur: American Chemical Society

Thermokinetic Effects of Functional Groups on the Pyrolytic Decomposition of Hemicellulose: A Quantum Chemical Approach

Auteurs: Leandro Ayarde-Henríquez; Jacopo Lupi; Stephen Dooley
Publié dans: AMBER Conference, 2023
Éditeur: AMBER Conference

Thermokinetic Study of Funtionalized β-d-Xylopyranose

Auteurs: Leandro Ayarde-Henríquez; Jacopo Lupi; Bernardo Ballotta; Stephen Dooley
Publié dans: 9th EuChemS Chemistry Congress, 2024
Éditeur: 9th EuChemS Chemistry Congress

Hierarchical Learning of the Xylan Pyrolysis Reaction Mechanism and KineticsOral contribution:

Auteurs: Ailis O'Shea; Mark Kelly; Stephen Dooley
Publié dans: 23rd International Symposium on Analytical and Applied Pyrolysis, Ghent, May 2022, 2022
Éditeur: 23rd International Symposium on Analytical and Applied Pyrolysis

Pre-screening Aviation Fuel Properties with HSQC-NMR Spectroscopy

Auteurs: Tiarnán Watson-Murphy; Robert Parker; Mark Kelly; Andrew Ure; Stephen Dooley
Publié dans: Cypher's 1st Annual General Meeting, 2024
Éditeur: Cypher's 1st Annual General Meeting

Thermokinetic Insights of Functionalized Hemicellulose Structural Motifs

Auteurs: Leandro Ayarde-Henríquez; Jacopo Lupi; Stephen Dooley
Publié dans: AMBER Conference, 2024
Éditeur: AMBER Conference

Quantum biomass: Thermogravimetric analysis, quantum chemistry and reaction kinetic model for hemicellulose fast pyrolysis

Auteurs: Jacopo Lupi; Mark Kelly; Ailís O'Shea; Mohammad Reza Ghaani; Stephen Dooley
Publié dans: ACS Spring 2023, 2023
Éditeur: ACS Spring 2023

Combining quantum chemistry, kinetic modelling, and machine learning for hemicellulose pyrolysis prediction

Auteurs: Ailís O'Shea; Jacopo Lupi; Mark Kelly; Prajwal Rao; Bernardo Ballotta; Lenadro Ayarde-Henríquez; Stephen Dooley
Publié dans: 24th International Symposium on Analytical and Applied Pyrolysis, 2024
Éditeur: 24th International Symposium on Analytical and Applied Pyrolysis

Quantum biomass: Thermogravimetric analysis, quantum chemistry and reaction kinetic model for hemicellulose fast pyrolysis

Auteurs: Jacopo Lupi; Leandro Ayarde-Henríquez; Mark Kelly; Ailís O'Shea; Mohammad Reeza Ghaani; Stephen Dooley.
Publié dans: AMBER Conference, 2023
Éditeur: AMBER Conference

Thermo-kinetics of Functionalized Hemicellulose Building Block Under Pyrolysis Conditions

Auteurs: Leandro Ayarde-Henríquez, Jacopo Lupi, Bernardo Ballotta, Stephen Dooley
Publié dans: 24th International Symposium on Analytical and Applied Pyrolysis, 2024
Éditeur: PYRO 24th International Symposium

Peer reviewed articles (6)

Sensitivity Analysis of One-Dimensional Multiphysics Simulation of CO₂ Electrolysis Cell

Auteurs: Harry Dunne, Weiming Liu, Mohammad Reza Ghaani, Kim McKelvey, Stephen Dooley
Publié dans: The Journal of Physical Chemistry C, Numéro 128, 2024, Page(s) 11131-11144, ISSN 1932-7447
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpcc.4c00690

The effect of used cooking oil composition on the specific CO₂e emissions embodied in HEFA‐SPK production

Auteurs: Liam A. Mannion, Conor Redington, Mark Kelly, Aron Bell, Stephen Dooley
Publié dans: Biofuels, Bioproducts and Biorefining, Numéro 18, 2024, Page(s) 837-854, ISSN 1932-104X
Éditeur: John Wiley & Sons Ltd.
DOI: 10.1002/bbb.2653

Hemicellulose Pyrolysis: Mechanism and Kinetics of Functionalized Xylopyranose

Auteurs: Leandro Ayarde-Henríquez; Jacopo Lupi; Stephen Dooley
Publié dans: Physical Chemistry Chemical Physics, 2024, ISSN 1463-9076
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3cp06094b

A physics constrained methodology for the life cycle assessment of sustainable aviation fuel production

Auteurs: Liam Anthony Mannion, Aron Bell, Tiarnán Watson-Murphy, Mark Kelly, Mohammad Reza Ghaani, Stephen Dooley
Publié dans: Biomass and Bioenergy, Numéro 185, 2024, Page(s) 107169, ISSN 0961-9534
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.biombioe.2024.107169

Ab Initio and Kinetic Modeling of β-<scp>d</scp>-Xylopyranose under Fast Pyrolysis Conditions

Auteurs: Jacopo Lupi; Leandro Ayarde-Henríquez; Mark Kelly; Stephen Dooley
Publié dans: The Journal of Physical Chemistry A, 2024, ISSN 1089-5639
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpca.3c07063

Steady states and kinetic modelling of the acid-catalysed ethanolysis of glucose, cellulose, and corn cob to ethyl levulinate

Auteurs: Conall McNamara, Ailís O’Shea, Prajwal Rao, Andrew Ure, Leandro Ayarde-Henríquez, Mohammad Reza Ghaani, Andrew Ross, Stephen Dooley
Publié dans: Energy Advances, Numéro 3, 2024, Page(s) 1439-1458, ISSN 2753-1457
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d4ya00043a