CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Oyedeji, Oluwafemi A.; Pecha, M. Brennan; Finney, Charles E. A.; Peterson, Chad A.; Smith, Ryan G.; Mills, Zachary G.; Gao, Xi; Shahnam, Mehrdad; Rogers, William A.; Ciesielski, Peter N.; Brown, Robert C.; Parks II, James E.

doi:10.1016/j.cej.2022.136920

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Journal Article · 18 May 2022 · Chemical Engineering Journal

DOI:https://doi.org/10.1016/j.cej.2022.136920· OSTI ID:1872405

Oyedeji, Oluwafemi A.; ; Finney, Charles E. A.; Peterson, Chad A.; Smith, Ryan G.; Mills, Zachary G.; Gao, Xi; Shahnam, Mehrdad; Rogers, William A.; ; Brown, Robert C.; Parks II, James E.

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (EE-3B)

DOE Contract Number:: AC36-08GO28308; AC36-08GO28308

OSTI ID:: 1872405

Report Number(s):: NREL/JA-2800-81855; MainId:82628; UUID:0fafcaa2-c04c-44ca-9042-aa2f326f3368; MainAdminID:64668

Journal Information:: Chemical Engineering Journal, Journal Name: Chemical Engineering Journal Journal Issue: Part 2 Vol. 446

Country of Publication:: United States

Language:: English

References (38)

Heteronuclear Single-Quantum Correlation–Nuclear Magnetic Resonance (HSQC–NMR) Fingerprint Analysis of Pyrolysis Oils Ben, Haoxi; Ragauskas, Arthur J. Energy & Fuels, Vol. 25, Issue 12 https://doi.org/10.1021/ef201376w	journal	December 2011
Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds Xiong, Qingang; Zhang, Jingchao; Xu, Fei Journal of Analytical and Applied Pyrolysis, Vol. 117 https://doi.org/10.1016/j.jaap.2015.11.015	journal	January 2016
Oxidation kinetics of biochar from woody and herbaceous biomass Peterson, Chad A.; Brown, Robert C. Chemical Engineering Journal, Vol. 401 https://doi.org/10.1016/j.cej.2020.126043	journal	December 2020
Influence of mill type on densified biomass comminution Williams, Orla; Newbolt, Gary; Eastwick, Carol Applied Energy, Vol. 182 https://doi.org/10.1016/j.apenergy.2016.08.111	journal	November 2016
A Shrinking Model for Combustion/Gasification of char Based on Transport and Reaction time Scales Peters, B.; Džiugys, A.; Navakas, R. Mechanika, Vol. 18, Issue 2 https://doi.org/10.5755/j01.mech.18.2.1564	journal	April 2012
Process Intensification through Directly Coupled Autothermal Operation of Chemical Reactors Brown, Robert C. Joule, Vol. 4, Issue 11 https://doi.org/10.1016/j.joule.2020.09.006	journal	November 2020
Review of kinetic and equilibrium concepts for biomass tar modeling by using Aspen Plus Ahmed, A. M. A.; Salmiaton, A.; Choong, T. S. Y. Renewable and Sustainable Energy Reviews, Vol. 52 https://doi.org/10.1016/j.rser.2015.07.125	journal	December 2015
Process intensification of biomass fast pyrolysis through autothermal operation of a fluidized bed reactor Polin, Joseph P.; Peterson, Chad A.; Whitmer, Lysle E. Applied Energy, Vol. 249 https://doi.org/10.1016/j.apenergy.2019.04.154	journal	September 2019
Review of fast pyrolysis of biomass and product upgrading Bridgwater, A. V. Biomass and Bioenergy, Vol. 38, p. 68-94 https://doi.org/10.1016/j.biombioe.2011.01.048	journal	March 2012
Development and validation of an enhanced filtered drag model for simulating gas-solid fluidization of Geldart A particles in all flow regimes Gao, Xi; Li, Tingwen; Sarkar, Avik Chemical Engineering Science, Vol. 184 https://doi.org/10.1016/j.ces.2018.03.038	journal	July 2018
Conventional and autothermal pyrolysis of corn stover: Overcoming the processing challenges of high-ash agricultural residues Polin, Joseph P.; Carr, Howard D.; Whitmer, Lysle E. Journal of Analytical and Applied Pyrolysis, Vol. 143 https://doi.org/10.1016/j.jaap.2019.104679	journal	October 2019
A predictive model of biochar formation and characterization Debiagi, P.; Gentile, G.; Cuoci, A. Journal of Analytical and Applied Pyrolysis, Vol. 134 https://doi.org/10.1016/j.jaap.2018.06.022	journal	September 2018
Kinetics of the release of elemental precursors of syngas and syngas contaminants during devolatilization of switchgrass Oyedeji, Oluwafemi; Daw, Charles Stuart; Labbe, Nicole Bioresource Technology, Vol. 244 https://doi.org/10.1016/j.biortech.2017.07.167	journal	November 2017
Smouldering of pine wood: Kinetics and reaction heats Anca-Couce, Andrés; Zobel, Nico; Berger, Anka Combustion and Flame, Vol. 159, Issue 4 https://doi.org/10.1016/j.combustflame.2011.11.015	journal	April 2012
Heterodoxy in Fast Pyrolysis of Biomass Brown, Robert C. Energy & Fuels, Vol. 35, Issue 2 https://doi.org/10.1021/acs.energyfuels.0c03512	journal	December 2020
MFIX documentation theory guide Syamlal, M.; Rogers, W.; O`Brien, T. J. https://doi.org/10.2172/10145548	report	December 1993
Fast oxidative pyrolysis of sugar cane straw in a fluidized bed reactor Mesa-Pérez, Juan Miguel; Rocha, José Dilcio; Barbosa-Cortez, Luis Augusto Applied Thermal Engineering, Vol. 56, Issue 1-2 https://doi.org/10.1016/j.applthermaleng.2013.03.017	journal	July 2013
Combustion of wood charcoal Evans, D. D.; Emmons, H. W. Fire Safety Journal, Vol. 1, Issue 1 https://doi.org/10.1016/0379-7112(77)90008-X	journal	March 1977
Investigating biomass composition and size effects on fast pyrolysis using global sensitivity analysis and CFD simulations Lu, Liqiang; Gao, Xi; Gel, Aytekin Chemical Engineering Journal https://doi.org/10.1016/j.cej.2020.127789	journal	November 2020
Bridging Scales in Bioenergy and Catalysis: A Review of Mesoscale Modeling Applications, Methods, and Future Directions Ciesielski, Peter N.; Pecha, M. Brennan; Thornburg, Nicholas E. Energy & Fuels, Vol. 35, Issue 18 https://doi.org/10.1021/acs.energyfuels.1c02163	journal	August 2021
Conversion of Loblolly pine biomass residues to bio-oil in a two-step process: Fast pyrolysis in the presence of zeolite and catalytic hydrogenation Mondal, Ajoy Kanti; Qin, Chengrong; Ragauskas, Arthur J. Industrial Crops and Products, Vol. 148 https://doi.org/10.1016/j.indcrop.2020.112318	journal	June 2020
Lignocellulosic biomass pyrolysis: A review of product properties and effects of pyrolysis parameters Kan, Tao; Strezov, Vladimir; Evans, Tim J. Renewable and Sustainable Energy Reviews, Vol. 57 https://doi.org/10.1016/j.rser.2015.12.185	journal	May 2016
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy (Executive Summary) Langholtz, Matthew; Stokes, Bryce; Eaton, Laurence Industrial Biotechnology, Vol. 12, Issue 5 https://doi.org/10.1089/ind.2016.29051.doe	journal	October 2016
Review on modelling approaches based on computational fluid dynamics for biomass combustion systems: Focus on fixed bed and moving grate systems Dernbecher, Andrea; Dieguez-Alonso, Alba; Ortwein, Andreas Biomass Conversion and Biorefinery, Vol. 9, Issue 1 https://doi.org/10.1007/s13399-019-00370-z	journal	February 2019
Online experiments and modelling with a detailed reaction scheme of single particle biomass pyrolysis Anca-Couce, Andrés; Sommersacher, Peter; Scharler, Robert Journal of Analytical and Applied Pyrolysis, Vol. 127 https://doi.org/10.1016/j.jaap.2017.07.008	journal	September 2017
Pyrolysis and gasification of typical components in wastes with macro-TGA Meng, Aihong; Chen, Shen; Long, Yanqiu Waste Management, Vol. 46 https://doi.org/10.1016/j.wasman.2015.08.025	journal	December 2015
Modelling heat of reaction in biomass pyrolysis with detailed reaction schemes Anca-Couce, Andrés; Scharler, Robert Fuel, Vol. 206 https://doi.org/10.1016/j.fuel.2017.06.011	journal	October 2017
The effect of torrefaction on the chemistry of fast-pyrolysis bio-oil Meng, Jiajia; Park, Junyeong; Tilotta, David Bioresource Technology, Vol. 111 https://doi.org/10.1016/j.biortech.2012.01.159	journal	May 2012
Bio-oil and bio-char production from corn cobs and stover by fast pyrolysis Mullen, Charles A.; Boateng, Akwasi A.; Goldberg, Neil M. Biomass and Bioenergy, Vol. 34, Issue 1 https://doi.org/10.1016/j.biombioe.2009.09.012	journal	January 2010
A review of biomass gasification modelling Safarian, Sahar; Unnþórsson, Rúnar; Richter, Christiaan Renewable and Sustainable Energy Reviews, Vol. 110 https://doi.org/10.1016/j.rser.2019.05.003	journal	August 2019
Multi-fluid CFD modeling of biomass gasification in polydisperse fluidized-bed gasifiers Xue, Q.; Fox, R. O. Powder Technology, Vol. 254 https://doi.org/10.1016/j.powtec.2014.01.025	journal	March 2014
Numerical Simulation of Gas−Solid Dynamics in a Circulating Fluidized-Bed Riser with Geldart Group B Particles Vaishali, S.; Roy, Shantanu; Bhusarapu, Satish Industrial & Engineering Chemistry Research, Vol. 46, Issue 25 https://doi.org/10.1021/ie0700819	journal	November 2007
Computational Fluid Dynamics/Discrete Element Method Investigation on the Biomass Fast Pyrolysis: The Influences of Shrinkage Patterns and Operating Parameters Hu, Chenshu; Luo, Kun; Wang, Shuai Industrial & Engineering Chemistry Research, Vol. 58, Issue 3 https://doi.org/10.1021/acs.iecr.8b05279	journal	December 2018
Bridging particle and reactor scales in the simulation of biomass fast pyrolysis by coupling particle resolved simulation and coarse grained CFD-DEM Lu, Liqiang; Gao, Xi; Shahnam, Mehrdad Chemical Engineering Science, Vol. 216 https://doi.org/10.1016/j.ces.2020.115471	journal	April 2020
Autothermal fast pyrolysis of birch bark with partial oxidation in a fluidized bed reactor Li, Dongbing; Berruti, Franco; Briens, Cedric Fuel, Vol. 121 https://doi.org/10.1016/j.fuel.2013.12.042	journal	April 2014
Impacts of Anisotropic Porosity on Heat Transfer and Off-Gassing during Biomass Pyrolysis Pecha, M. Brennan; Thornburg, Nicholas E.; Peterson, Chad A. Energy & Fuels, Vol. 35, Issue 24 https://doi.org/10.1021/acs.energyfuels.1c02679	journal	December 2021
Effects of particle size on the fast pyrolysis of oil mallee woody biomass Shen, Jun; Wang, Xiao-Shan; Garcia-Perez, Manuel Fuel, Vol. 88, Issue 10 https://doi.org/10.1016/j.fuel.2009.05.001	journal	October 2009
Numerical Investigation of the Ability of Salt Tracers to Represent the Residence Time Distribution of Fluidized Catalytic Cracking Particles Lu, Liqiang; Gao, Xi; Li, Tingwen Industrial & Engineering Chemistry Research, Vol. 56, Issue 46 https://doi.org/10.1021/acs.iecr.7b03773	journal	November 2017

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