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Title: Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels in the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.
Authors:
 [1] ; ORCiD logo [1]
  1. Brigham Young Univ., Provo, UT (United States). Chemical Engineering Dept.
Publication Date:
Report Number(s):
LA-UR-16-29489; DOE-UTAH-DENA0002375-FLETCHER-0005
Journal ID: ISSN 0887-0624
Grant/Contract Number:
AC52-06NA25396; NA0002375
Type:
Accepted Manuscript
Journal Name:
Energy and Fuels
Additional Journal Information:
Journal Volume: 31; Journal Issue: 3; Journal ID: ISSN 0887-0624
Publisher:
American Chemical Society (ACS)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
01 COAL, LIGNITE, AND PEAT; Oxy-coal; Detailed Combustion Modeling; Combustion
OSTI Identifier:
1352378
Alternate Identifier(s):
OSTI ID: 1362069

Holland, Troy, and Fletcher, Thomas H. Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions. United States: N. p., Web. doi:10.1021/acs.energyfuels.6b03387.
Holland, Troy, & Fletcher, Thomas H. Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions. United States. doi:10.1021/acs.energyfuels.6b03387.
Holland, Troy, and Fletcher, Thomas H. 2017. "Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions". United States. doi:10.1021/acs.energyfuels.6b03387. https://www.osti.gov/servlets/purl/1352378.
@article{osti_1352378,
title = {Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions},
author = {Holland, Troy and Fletcher, Thomas H.},
abstractNote = {Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels in the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.},
doi = {10.1021/acs.energyfuels.6b03387},
journal = {Energy and Fuels},
number = 3,
volume = 31,
place = {United States},
year = {2017},
month = {2}
}