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

Journal Article · Fri Aug 25 00:00:00 EDT 2017 · Energy and Fuels

DOI:https://doi.org/10.1021/acs.energyfuels.7b01888· OSTI ID:1438106

Holland, Troy ^[1]; Bhat, Sham ^[2]; Marcy, Peter ^[2]; Gattiker, James ^[2]; Kress, Joel D. ^[2]; Fletcher, Thomas H. ^[3]

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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)

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive computational fluid dynamics (CFD) simulations are valuable tools in evaluating and deploying oxyfuel 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 datasets from experiments performed after that annealing model was developed. The annealing model was accordingly extended to reflect experimentally observed reactivity loss, because of the thermal annealing of a variety of coals under diverse char preparation conditions. The model extension was informed by a Bayesian calibration analysis. In addition, since oxyfuel conditions include extraordinarily high levels of CO₂, the development of a first-ever CO₂ reactivity loss model due to annealing is presented.

• Research Organization: Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Utah, Salt Lake City, UT (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• Contributing Organization: Los Alamos National Laboratory
• Grant/Contract Number: AC52-06NA25396; NA0002375
• OSTI ID: 1438106
• Alternate ID(s): OSTI ID: 1582443
• Report Number(s): LA--UR-17-22587
• Journal Information: Energy and Fuels, Journal Name: Energy and Fuels Journal Issue: 10 Vol. 31; ISSN 0887-0624
• Publisher: American Chemical Society (ACS)
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
97 MATHEMATICS AND COMPUTING
Coal
Char Oxidation
Oxy-fuel
Kinetics
Sensitivity Analysis