coal, char oxidation, oxy-fuel, kinetics, sensitivity analysis


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.

Original Publication Citation

Fletcher, T. H., “A review of 30 years of research using the CPD model,” invited paper, Energy and Fuels, 33, 12123-12153 (2019). DOI: 10.1021/acs.energyfuels.9b02826

Document Type

Peer-Reviewed Article

Publication Date



American Chemical Society




Ira A. Fulton College of Engineering


Chemical Engineering

University Standing at Time of Publication

Full Professor