Theoretical study of sensitive reactions in phenol decomposition

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React. Chem. Eng., 2020, 5, 452
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Electronic structure-based rate rules for Ḣ ipso addition–elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation

Luna Pratali Maffei, Tiziano Faravelli, Carlo Cavallotti and Matteo Pelucchi

Phys. Chem. Chem. Phys., 2020, 22, 20368
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Facile route to an organosulfur composite from biomass-derived guaiacol and waste sulfur

Menisha S. Karunarathna, Moira K. Lauer and Rhett C. Smith

J. Mater. Chem. A, 2020, 8, 20318
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Experimental and modeling study of benzaldehyde oxidation

Sylvain Namysl, Matteo Pelucchi, L. Pratali Maffei, Olivier Herbinet, Alessandro Stagni, Tiziano Faravelli and Frédérique Battin-Leclerc

Combustion and Flame, 2020, 211, 124
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Combustion of n-C3–C6 Linear Alcohols: An Experimental and Kinetic Modeling Study. Part I: Reaction Classes, Rate Rules, Model Lumping, and Validation

M. Pelucchi, S. Namysl, E. Ranzi, A. Rodriguez, C. Rizzo, K. P. Somers, Y. Zhang, O. Herbinet, H. J. Curran, F. Battin-Leclerc and T. Faravelli

Energy Fuels, 2020, 34, 14688
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Combustion of biomass pyrolysis gas: Roles of radiation reabsorption and water content

Shu Zheng, Hao Liu, Yuzhen He, Yu Yang, Ran Sui and Qiang Lu

Renewable Energy, 2023, 205, 864
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Hydrodeoxygenation kinetics of syringol, guaiacol and phenol over H-ZSM-5

Kavimonica Venkatesan, J.V. Jayarama Krishna, S. Anjana, Parasuraman Selvam and Ravikrishnan Vinu

Catalysis Communications, 2021, 148, 106164
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Fast pyrolysis of biomass: recent advances in molecular-level reaction mechanisms and detailed kinetic modeling

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OH-Initiated Reactions of para-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part II. Kinetic Analysis

Jason M. Hudzik, Mohamad Barekati-Goudarzi, Lavrent Khachatryan, Joseph W. Bozzelli, Eli Ruckenstein and Rubik Asatryan

J. Phys. Chem. A, 2020, 124, 4875
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Sooting tendency of substituted aromatic oxygenates: The role of functional groups and positional isomerism in vanillin isomers

Hojin Jung, Jaeyoung Cho, Yeonjoon Kim, Zhanhong Xiang, Sabari Kumar, Piper Barnard, Charles S. McEnally, Lisa D. Pfefferle and Seonah Kim

Proceedings of the Combustion Institute, 2024, 40, 105669
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A review on oxidative pyrolysis and oxidative torrefaction: Mechanisms, products, kinetics and future directions

Syazmi Zul Arif Hakimi Saadon, Nurul Hidayah Abdullah, David Onoja Patrick, Tuan Muhammad Isma Hafizzuddin Bin Tuan Ismail and Noridah Binti Osman

Journal of Analytical and Applied Pyrolysis, 2026, 195, 107609
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Theoretical study of the hydrogen abstraction reactions from substituted phenolic species

Quan-De Wang, Mao-Mao Sun and Jinhu Liang

Computational and Theoretical Chemistry, 2021, 1196, 113120
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Experimental and kinetic modeling study of α-methylnaphthalene laminar flame speeds

Andrea Nobili, Luna Pratali Maffei, Matteo Pelucchi, Marco Mehl, Alessio Frassoldati, Andrea Comandini and Nabiha Chaumeix

Proceedings of the Combustion Institute, 2023, 39, 243
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Formation of phenoxy-type Environmental Persistent Free Radicals (EPFRs) from dissociative adsorption of phenol on Cu/Fe and their partial oxides

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Computational exploration of bio-oil blend effects on large two-stroke marine engines

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Computational Exploration of Bio-Oil Blend Effects on Large Two-Stroke Marine Engines

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SSRN Journal, 2022
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Spray combustion of fast pyrolysis bio-oils: Applications, challenges, and potential solutions

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Investigation of substituent effect on O–C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles

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Review of Modelling of Pyrolysis Processes with CFD-DEM

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Flow Turbulence Combust, 2023, 111, 355
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Auto-ignition characteristics of oxygenated aromatic compounds: Benzyl alcohol, benzaldehyde, and phenol

Karl Alexander Heufer, Rene Daniel Büttgen, Luna Pratali Maffei and Matteo Pelucchi

Proceedings of the Combustion Institute, 2024, 40, 105252
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Effect of support size for stimulating hydrogen production in phenol steam reforming using Ni-embedded TiO2 nanocatalyst

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Journal of Environmental Chemical Engineering, 2020, 8, 103604
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Possible use as biofuels of monoaromatic oxygenates produced by lignin catalytic conversion: A review

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The Role of Functional Groups in the Atmospheric Oxidation of Vanillin: Mechanism and Kinetic Study

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Biomass pyrolysis for phenolic compound production: Feedstock, process, and comprehensive mechanism

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Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation

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Development of a multiphase chemical reactor network method as a tool for simulating biomass gasification in fluidized beds

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Thermal treatment of lignin, cellulose and hemicellulose in nitrogen and carbon dioxide

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Exploring the combustion chemistry of anisole in laminar counterflow diffusion-flames under oxy-fuel conditions

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Developing chemical kinetic models for thermochemical applications

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Primary Thermal Decomposition Pathways of Hydroxycinnamaldehydes

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Energy Fuels, 2021, 35, 12216
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Guaiacol oxidation: theoretical insight into thermochemistry of radical processes involving methoxy group demethylation

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Cresol formation chemistry in anisole pyrolysis and combustion

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Reactions of Hydroperoxyl Radicals (HO2) with Oxygenated Aromatic Bio-oil Model Compounds

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Detailed kinetics for anisole oxidation under various range of operating conditions

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Detailed biomass fast pyrolysis kinetics integrated to computational fluid dynamic (CFD) and discrete element modeling framework: Predicting product yields at the bench-scale

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Kinetic Modeling of the Ignition of Droplets of Fast Pyrolysis Bio-oil: Effect of Initial Diameter and Fuel Composition

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Study on Fire Characteristics of Flame-Retardant Polycarbonate Under Low Pressure

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Experimental and modelling study of phenol combustion and oxidation

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The influence of ammonia on the laminar burning velocities of methylcyclohexane and toluene: An experimental and kinetic modeling study

Marco Lubrano Lavadera, Matteo Pelucchi and Alexander A. Konnov

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Recent advances in the antioxidant activity and mechanisms of chalcone derivatives: a computational review

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Calibration and validation of a comprehensive kinetic model of coal conversion in inert, air and oxy-fuel conditions using data from multiple test rigs

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Revealing G-lignin model compounds pyrolysis behavior: β-O-4 and 5-5′ dimer and trimer

Lei Wang, Jun Yin, Jungang Jiang, Yifan Zhang, Mingyao Song, Ran Zhang, Zhiguo Dong, Haiping Yang and Hongbo Yu

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Prediction of Chemical Composition of Gas Combustion Products from Thermal Waste Conversion

Magdalena Skrzyniarz, Sławomir Morel and Jakub Rzącki

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Relative reactivity of methyl anisole isomers: An experimental and kinetic modelling study

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Combustion and Flame, 2024, 266, 113533
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Systematic evaluation and kinetic modeling of low heating rate sulfur release in various atmospheres

P. Debiagi, C. Yildiz, J. Ströhle, B. Epple, T. Faravelli and C. Hasse

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Low-Temperature Deoxidization of Lignin and Its Impact on Liquid Products from Pyrolysis

Yanyang Mei, Shipeng Zhang, Hua Wang, Shuangxi Jing, Ting Hou and Shusheng Pang

Energy Fuels, 2020, 34, 3422
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An experimental, theoretical and kinetic modelling study on the reactivity of a lignin model compound anisole under engine-relevant conditions

R.D. Büttgen, M. Tian, Y. Fenard, H. Minwegen, M.D. Boot and K.A. Heufer

Fuel, 2020, 269, 117190
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Experimentally and theoretically via high quality density function theory modelling technique and nonlinear optical analyses of 2,6-Dimethoxy-4-hydroxybenzaldehyde

K. Parimala and S. Manimegalai

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Fast pyrolysis of guaiacol to simple phenols: Experiments, theory and kinetic model

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Chemical Engineering Science, 2019, 207, 619
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A Theoretical Study of H-Abstractions of Benzaldehyde by H, O3(P), 3O2, OH, HO2, and CH3 Radicals: Ab Initio Rate Coefficients and Their Uncertainty Quantification

Hao Zhao, Yingjia Zhang, Qian Zhao, Yang Li and Zuohua Huang

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Mechanistic Kinetic Analysis of Fast Pyrolysis of Vanillin to Primary Phenols

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Mechanistic insights into lignin decomposition: A theoretical study on small molecule release and phenol evolution

Xuesong Liu, Lu Ding, Guangsuo Yu and Fuchen Wang

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Pyrolysis of agricultural waste biomass towards production of gas fuel and high-quality char: Experimental and numerical investigations

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Single-Pulse Shock Tube Pyrolysis Study of RP-3 Jet Fuel and Kinetic Modeling

Ping Zeng, Bi-Yao Wang, Ruining He, Jinhu Liang, Zhi-Yuan Yang, Zu-Xi Xia and Quan-De Wang

ACS Omega, 2021, 6, 11039
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Effect of the interaction of phenolic hydroxyl with the benzene rings on lignin pyrolysis

Hao Ma, Tengfei Li, Shubin Wu and Xiaohua Zhang

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Ni-embedded TiO2-ZnTiO3 reducible perovskite composite with synergistic effect of metal/support towards enhanced H2 production via phenol steam reforming

Khaled Saeed Baamran and Muhammad Tahir

Energy Conversion and Management, 2019, 200, 112064
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Preliminary assessment of cardiovascular effects and chemoinformatic analysis of total aqueous extract and fractions from Inula viscosa leaves

Fatima El hajji, Zineb Hakkou, Ayman M. Al-Qaaneh, Moulay Hfid Youssoufi, Zachee Louis Evariste Akissi, Sevser Sahpaz, Chaimae Alla, Amal Zahi, Sanae Abid, Sergey Shityakov, Abderrahim Ziyyat, Hassane Mekhfi, Mohamed Bnouham and Abdelkhaleq Legssyer

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A review of biomass gasification modelling

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Pyrolysis and Combustion Chemistry of Pyrrole, a Reference Component for Bio-oil Surrogates: Jet-Stirred Reactor Experiments and Kinetic Modeling

Matteo Pelucchi, Suphaporn Arunthanayothin, Yu Song, Olivier Herbinet, Alessandro Stagni, Hans-Heinrich Carstensen, Tiziano Faravelli and Frédérique Battin-Leclerc

Energy Fuels, 2021, 35, 7265
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A Tabulation-Based Numerical Model for the Combustion of Thermally Thick Particles in Fixed-Bed Reactors

Seyed Morteza Mousavi, Hesameddin Fatehi and Xue-Song Bai

Combustion Science and Technology, 2026, 1
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Integrated biorefinery of bamboo for fermentable sugars, native-like lignin, and furfural production by novel deep eutectic solvents treatment

Zongwei Guo, Jianzhen Mao, Qilin Zhang and Feng Xu

Industrial Crops and Products, 2022, 188, 115453
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Selective photocatalytic conversion of guaiacol using g-C3N4 metal free nanosheets photocatalyst to add-value products

S.D. Rojas, N. Espinoza-Villalobos, R. Salazar, N. Escalona, D. Contreras, V. Melin, M.A. Laguna-Bercero, M. Sánchez-Arenillas, E. Vergara, L. Caceres-Jensen, J. Rodriguez-Becerra and L. Barrientos

Journal of Photochemistry and Photobiology A: Chemistry, 2021, 421, 113513
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On the combustion and sooting behavior of standard and hydro-treated jet fuels: An experimental and modeling study on the compositional effects

M. Pelucchi, P. Oßwald, W. Pejpichestakul, A. Frassoldati and M. Mehl

Proceedings of the Combustion Institute, 2021, 38, 523
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Laminar Burning Velocity and Ignition Delay Time of Oxygenated Biofuel

Fekadu Mosisa Wako, Gianmaria Pio and Ernesto Salzano

Energies, 2021, 14, 3562
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Demethylation of a methoxy group to inhibit repolymerization during alkaline lignin pyrolysis

Hao Ma, Tengfei Li, Shubin Wu and Xiaohua Zhang

Fuel, 2021, 286, 119394
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Experimental and Kinetic Study on the Gas-Phase Pyrolysis of Syringol

Liang Li, Ruben Van de Vijver and Kevin M. Van Geem

Energy Fuels, 2023, 37, 7246
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Prediction of gaseous products from refuse derived fuel pyrolysis using chemical modelling software - Ansys Chemkin-Pro

Małgorzata Sieradzka, Przemysław Rajca, Monika Zajemska, Agata Mlonka-Mędrala and Aneta Magdziarz

Journal of Cleaner Production, 2020, 248, 119277
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Feasibility of running a micro gas turbine on wood-derived fast pyrolysis bio-oils: Effect of the fuel spray formation and preparation

Mohsen Broumand, Muhammad Shahzeb Khan, Sean Yun, Zekai Hong and Murray J. Thomson

Renewable Energy, 2021, 178, 775
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Experimental and Kinetic Modeling Study on the Gas-Phase Pyrolysis of Hydroxycinnamaldehyde Model Compounds

Liang Li, Ruben Van de Vijver, Andreas Eschenbacher, Florence H. Vermeire and Kevin M. Van Geem

Energy Fuels, 2022, 36, 12031
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Reaction Mechanisms of Anisole Pyrolysis at Different Temperatures: Experimental and Theoretical Studies

Ting Zhang, Chiranjivi Bhattarai, Yeongkwon Son, Vera Samburova, Andrey Khlystov and Sergey A. Varganov

Energy Fuels, 2021, 35, 9994
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Two Plus Four Equals Three–Iron(II)/Iron(IV) Comproportionation as an Additional Pathway for Iron(IV)-Oxido Reactions

Niko S. W. Lindlar né Jonasson, Annika Menke, Laura Senft, Andrea Squarcina, David Schmidl, Katherine Fisher, Serhiy Demeshko, Jan C. Kruse, Thomas Josephy, Peter Mayer, Jonathan Gutenthaler-Tietze, Peter Comba, Franc Meyer, Ivana Ivanović-Burmazović and Lena J. Daumann

Inorg. Chem., 2025, 64, 3719
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An experimental investigation of furfural oxidation and the development of a comprehensive combustion model

Zhi-Hao Jin, Dan Yu, Yue-Xi Liu, Zhen-Yu Tian, Sandra Richter, Marina Braun-Unkhoff, Clemens Naumann and Jiu-Zhong Yang

Combustion and Flame, 2021, 226, 200
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Simulating combustion of a seven-component surrogate for a gasoline/ethanol blend including soot formation and comparison with experiments

Alberto Cuoci, C. Thomas Avedisian, Jordan D. Brunson, Songtao Guo, Alireza Dalili, Yujie Wang, Marco Mehl, Alessio Frassoldati, Kalyanasundaram Seshadri, John E. Dec and Dario Lopez-Pintor

Fuel, 2021, 288, 119451
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A Review on Detailed Kinetic Modeling and Computational Fluid Dynamics of Thermochemical Processes of Solid Fuels

Cheolyong Choi, Wei Zhang, Kazui Fukumoto, Hiroshi Machida and Koyo Norinaga

Energy Fuels, 2021, 35, 5479
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