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Title: Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2 , Based on Preparation Conditions

Abstract

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. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous data sets from experiments performed after that annealing model was developed. The annealing model was accordingly extended to reflect experimentally observed reactivity loss due to thermal annealing of a variety of coals in diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. Additionally, because oxy-fuel conditions include extraordinarily high levels of CO2, development of a first-ever CO2 reactivity loss model due to annealing is presented.

Authors:
 [1];  [2];  [2];  [2];  [2]; ORCiD logo [3]
  1. Brigham Young Univ., Provo, UT (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Brigham Young Univ., Provo, UT (United States)
Publication Date:
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)
Contributing Org.:
Los Alamos National Laboratory
OSTI Identifier:
1438106
Alternate Identifier(s):
OSTI ID: 1582443
Report Number(s):
LA-UR-17-22587
Journal ID: ISSN 0887-0624
Grant/Contract Number:  
AC52-06NA25396; NA0002375
Resource Type:
Accepted Manuscript
Journal Name:
Energy and Fuels
Additional Journal Information:
Journal Volume: 31; Journal Issue: 10; Journal ID: ISSN 0887-0624
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 97 MATHEMATICS AND COMPUTING; Coal, Char Oxidation, Oxy-fuel, Kinetics, Sensitivity Analysis

Citation Formats

Holland, Troy, Bhat, Sham, Marcy, Peter, Gattiker, James, Kress, Joel D., and Fletcher, Thomas H. Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2 , Based on Preparation Conditions. United States: N. p., 2017. Web. doi:10.1021/acs.energyfuels.7b01888.
Holland, Troy, Bhat, Sham, Marcy, Peter, Gattiker, James, Kress, Joel D., & Fletcher, Thomas H. Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2 , Based on Preparation Conditions. United States. https://doi.org/10.1021/acs.energyfuels.7b01888
Holland, Troy, Bhat, Sham, Marcy, Peter, Gattiker, James, Kress, Joel D., and Fletcher, Thomas H. Fri . "Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2 , Based on Preparation Conditions". United States. https://doi.org/10.1021/acs.energyfuels.7b01888. https://www.osti.gov/servlets/purl/1438106.
@article{osti_1438106,
title = {Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2 , Based on Preparation Conditions},
author = {Holland, Troy and Bhat, Sham and Marcy, Peter and Gattiker, James and Kress, Joel D. 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. However, accurate predictive combustor simulations require physically realistic submodels with low computational requirements. A recent sensitivity analysis of a detailed char conversion model (Char Conversion Kinetics (CCK)) found thermal annealing to be an extremely sensitive submodel. In the present work, further analysis of the previous annealing model revealed significant disagreement with numerous data sets from experiments performed after that annealing model was developed. The annealing model was accordingly extended to reflect experimentally observed reactivity loss due to thermal annealing of a variety of coals in diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. Additionally, because oxy-fuel conditions include extraordinarily high levels of CO2, development of a first-ever CO2 reactivity loss model due to annealing is presented.},
doi = {10.1021/acs.energyfuels.7b01888},
journal = {Energy and Fuels},
number = 10,
volume = 31,
place = {United States},
year = {Fri Aug 25 00:00:00 EDT 2017},
month = {Fri Aug 25 00:00:00 EDT 2017}
}

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