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Title: Assessment of a detailed biomass pyrolysis kinetic scheme in multiscale simulations of a single-particle pyrolyzer and a pilot-scale entrained flow pyrolyzer

Abstract

A detailed biomass pyrolysis kinetic scheme was assessed in the multiscale simulations of a single-particle pyrolyzer with slow pyrolysis and a pilot-scale entrained flow pyrolyzer with fast pyrolysis. The detailed kinetic scheme of biomass pyrolysis developed by the CRECK group consists of 32 reactions and 58 species. A multiscale simulation model was developed, where the CRECK kinetics was employed to simulate biomass pyrolysis reactions, a one-dimensional particle model was utilized to simulate the intraparticle transport phenomena, and the particle-in-cell (PIC) model was employed to simulate the hydrodynamics. The multiscale model was first applied to simulate a single-particle pyrolysis experiment. The simulation with nonisothermal particles matched the experimental data better than the simulation with isothermal particles. Then the multiscale model was applied to simulate the pilot-scale entrained flow pyrolyzer. In this case, the simulation with isothermal particles matched the experimental data better than the simulation with nonisothermal particles. The reason for this difference might be that the kinetics itself already partially included the intraparticle transport effect as it was fitted using both TGA data (slow pyrolysis of small size biomass) and fluidized bed data (fast pyrolysis of relatively large size biomass). This study provides some insights into biomass pyrolysis kinetics developmentmore » and pyrolyzer multiscale simulation for a future study.« less

Authors:
 [1];  [1];  [2];  [2];  [3];  [3];  [3];  [3];  [3];  [3];  [4];  [5];  [6];  [6];  [6]
  1. National Energy Technology Lab. (NETL), Morgantown, WV (United States); Leidos Research Support Team, Morgantown, WV (United States)
  2. National Energy Technology Lab. (NETL), Morgantown, WV (United States)
  3. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  4. Technical Univ. of Darmstadt (Germany)
  5. Politecnico di Milano (Italy)
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States); National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office; German Research Foundation (DFG); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Bioenergy Technologies Office; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
OSTI Identifier:
1842492
Alternate Identifier(s):
OSTI ID: 1774877; OSTI ID: 1814352; OSTI ID: 1815339
Report Number(s):
NREL/JA-2800-78573
Journal ID: ISSN 1385-8947
Grant/Contract Number:  
AC05-00OR22725; 89243318CFE000003; AC36-08GO28308; 215035359-TRR-29
Resource Type:
Accepted Manuscript
Journal Name:
Chemical Engineering Journal
Additional Journal Information:
Journal Volume: 418; Journal Issue: NA; Journal ID: ISSN 1385-8947
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
09 BIOMASS FUELS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 42 ENGINEERING; biomass; pyrolysis; kinetics; multiscale; CFD; MFiX; 29 EE - Bioenergy Technologies Office (EE-3B); reactor modeling

Citation Formats

Gao, Xi, Lu, Liqiang, Shahnam, Mehrdad, Rogers, William A., Smith, Kristin, Gaston, Katherine, Robichaud, David, Brennan Pecha, M., Crowley, Meagan, Ciesielski, Peter N., Debiagi, Paulo, Faravelli, Tiziano, Wiggins, Gavin, Finney, Charles E.A., and Parks, James E. Assessment of a detailed biomass pyrolysis kinetic scheme in multiscale simulations of a single-particle pyrolyzer and a pilot-scale entrained flow pyrolyzer. United States: N. p., 2021. Web. doi:10.1016/j.cej.2021.129347.
Gao, Xi, Lu, Liqiang, Shahnam, Mehrdad, Rogers, William A., Smith, Kristin, Gaston, Katherine, Robichaud, David, Brennan Pecha, M., Crowley, Meagan, Ciesielski, Peter N., Debiagi, Paulo, Faravelli, Tiziano, Wiggins, Gavin, Finney, Charles E.A., & Parks, James E. Assessment of a detailed biomass pyrolysis kinetic scheme in multiscale simulations of a single-particle pyrolyzer and a pilot-scale entrained flow pyrolyzer. United States. https://doi.org/10.1016/j.cej.2021.129347
Gao, Xi, Lu, Liqiang, Shahnam, Mehrdad, Rogers, William A., Smith, Kristin, Gaston, Katherine, Robichaud, David, Brennan Pecha, M., Crowley, Meagan, Ciesielski, Peter N., Debiagi, Paulo, Faravelli, Tiziano, Wiggins, Gavin, Finney, Charles E.A., and Parks, James E. Sun . "Assessment of a detailed biomass pyrolysis kinetic scheme in multiscale simulations of a single-particle pyrolyzer and a pilot-scale entrained flow pyrolyzer". United States. https://doi.org/10.1016/j.cej.2021.129347. https://www.osti.gov/servlets/purl/1842492.
@article{osti_1842492,
title = {Assessment of a detailed biomass pyrolysis kinetic scheme in multiscale simulations of a single-particle pyrolyzer and a pilot-scale entrained flow pyrolyzer},
author = {Gao, Xi and Lu, Liqiang and Shahnam, Mehrdad and Rogers, William A. and Smith, Kristin and Gaston, Katherine and Robichaud, David and Brennan Pecha, M. and Crowley, Meagan and Ciesielski, Peter N. and Debiagi, Paulo and Faravelli, Tiziano and Wiggins, Gavin and Finney, Charles E.A. and Parks, James E.},
abstractNote = {A detailed biomass pyrolysis kinetic scheme was assessed in the multiscale simulations of a single-particle pyrolyzer with slow pyrolysis and a pilot-scale entrained flow pyrolyzer with fast pyrolysis. The detailed kinetic scheme of biomass pyrolysis developed by the CRECK group consists of 32 reactions and 58 species. A multiscale simulation model was developed, where the CRECK kinetics was employed to simulate biomass pyrolysis reactions, a one-dimensional particle model was utilized to simulate the intraparticle transport phenomena, and the particle-in-cell (PIC) model was employed to simulate the hydrodynamics. The multiscale model was first applied to simulate a single-particle pyrolysis experiment. The simulation with nonisothermal particles matched the experimental data better than the simulation with isothermal particles. Then the multiscale model was applied to simulate the pilot-scale entrained flow pyrolyzer. In this case, the simulation with isothermal particles matched the experimental data better than the simulation with nonisothermal particles. The reason for this difference might be that the kinetics itself already partially included the intraparticle transport effect as it was fitted using both TGA data (slow pyrolysis of small size biomass) and fluidized bed data (fast pyrolysis of relatively large size biomass). This study provides some insights into biomass pyrolysis kinetics development and pyrolyzer multiscale simulation for a future study.},
doi = {10.1016/j.cej.2021.129347},
journal = {Chemical Engineering Journal},
number = NA,
volume = 418,
place = {United States},
year = {Sun Mar 14 00:00:00 EST 2021},
month = {Sun Mar 14 00:00:00 EST 2021}
}

Works referenced in this record:

Kinetic modeling of the thermal degradation and combustion of biomass
journal, May 2014


The multiphase particle-in-cell (MP-PIC) method for dense particulate flows
journal, April 1996


Advances in Multiscale Modeling of Lignocellulosic Biomass
journal, February 2020

  • Ciesielski, Peter N.; Pecha, M. Brennan; Lattanzi, Aaron M.
  • ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 9
  • DOI: 10.1021/acssuschemeng.9b07415

Biomass Particle Models with Realistic Morphology and Resolved Microstructure for Simulations of Intraparticle Transport Phenomena
journal, December 2014

  • Ciesielski, Peter N.; Crowley, Michael F.; Nimlos, Mark R.
  • Energy & Fuels, Vol. 29, Issue 1
  • DOI: 10.1021/ef502204v

A review on biomass pyrolysis models: Kinetic, network and mechanistic models
journal, April 2019


Top ten fundamental challenges of biomass pyrolysis for biofuels
journal, January 2012

  • Mettler, Matthew S.; Vlachos, Dionisios G.; Dauenhauer, Paul J.
  • Energy & Environmental Science, Vol. 5, Issue 7
  • DOI: 10.1039/c2ee21679e

Critical Review of the Global Chemical Kinetics of Cellulose Thermal Decomposition
journal, April 2015


A computational framework for the pyrolysis of anisotropic biomass particles
journal, August 2017

  • Gentile, Giancarlo; Debiagi, Paulo Eduardo Amaral; Cuoci, Alberto
  • Chemical Engineering Journal, Vol. 321
  • DOI: 10.1016/j.cej.2017.03.113

The voidage function for fluid-particle interaction systems
journal, February 1994


Integrated Particle- and Reactor-Scale Simulation of Pine Pyrolysis in a Fluidized Bed
journal, September 2018


Current technologies for analysis of biomass thermochemical processing: A review
journal, October 2009

  • Bahng, Mi-Kyung; Mukarakate, Calvin; Robichaud, David J.
  • Analytica Chimica Acta, Vol. 651, Issue 2
  • DOI: 10.1016/j.aca.2009.08.016

Extractives Extend the Applicability of Multistep Kinetic Scheme of Biomass Pyrolysis
journal, September 2015


Reaction mechanisms and multi-scale modelling of lignocellulosic biomass pyrolysis
journal, March 2016


Low-Order Modeling of Internal Heat Transfer in Biomass Particle Pyrolysis
journal, May 2016


Direct numerical simulation of fluid–particle heat transfer in fixed random arrays of non-spherical particles
journal, June 2015

  • Tavassoli, H.; Peters, E. A. J. F.; Kuipers, J. A. M.
  • Chemical Engineering Science, Vol. 129
  • DOI: 10.1016/j.ces.2015.02.024

Online experiments and modelling with a detailed reaction scheme of single particle biomass pyrolysis
journal, September 2017

  • Anca-Couce, Andrés; Sommersacher, Peter; Scharler, Robert
  • Journal of Analytical and Applied Pyrolysis, Vol. 127
  • DOI: 10.1016/j.jaap.2017.07.008

CFD simulations of gas–liquid–solid flow in fluidized bed reactors — A review
journal, October 2016


Unraveling the Reactions that Unravel Cellulose
journal, June 2012

  • Mayes, Heather B.; Broadbelt, Linda J.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 26
  • DOI: 10.1021/jp300405x

Review of fast pyrolysis of biomass and product upgrading
journal, March 2012


Design and Characterization of an Entrained Flow Reactor for the Study of Biomass Pyrolysis Chemistry at High Heating Rates
journal, September 2001

  • Brown, Alexander L.; Dayton, David C.; Nimlos, Mark R.
  • Energy & Fuels, Vol. 15, Issue 5
  • DOI: 10.1021/ef010083k

CFD modelling of the fast pyrolysis of biomass in fluidised bed reactors. Part B
journal, March 2009


Transfer of heat or mass to particles in fixed and fluidised beds
journal, April 1978


Experimental and numerical investigation of sands and Geldart A biomass co‐fluidization
journal, March 2020

  • Lu, Liqiang; Yu, Jia; Gao, Xi
  • AIChE Journal, Vol. 66, Issue 6
  • DOI: 10.1002/aic.16969

Coarse grained computational fluid dynamic simulation of sands and biomass fluidization with a hybrid drag
journal, November 2019

  • Lu, Liqiang; Gao, Xi; Shahnam, Mehrdad
  • AIChE Journal, Vol. 66, Issue 4
  • DOI: 10.1002/aic.16867

Pyrolysis of Centimeter-Scale Woody Biomass Particles: Kinetic Modeling and Experimental Validation
journal, June 2014

  • Corbetta, Michele; Frassoldati, Alessio; Bennadji, Hayat
  • Energy & Fuels, Vol. 28, Issue 6
  • DOI: 10.1021/ef500525v

Biomass pyrolysis with an entrained flow reactor
journal, April 1984

  • Bohn, Mark S.; Benham, Charles B.
  • Industrial & Engineering Chemistry Process Design and Development, Vol. 23, Issue 2
  • DOI: 10.1021/i200025a030

A predictive model of biochar formation and characterization
journal, September 2018


A rational approach to drag prediction of spherical and nonspherical particles
journal, November 1993


Estimation of Heat Transfer Coefficients for Biomass Particles by Direct Numerical Simulation Using Microstructured Particle Models in the Laminar Regime
journal, November 2016

  • Pecha, M. Brennan; Garcia-Perez, Manuel; Foust, Thomas D.
  • ACS Sustainable Chemistry & Engineering, Vol. 5, Issue 1
  • DOI: 10.1021/acssuschemeng.6b02341