Fixed-grid method for the modelling of unsteady partial oxidation of a spherical coal particle.

The main goal of this work is the development of a fixed-grid method to model unsteady partial oxidation of a solid with implicit tracking of the interface. As a first step diffusive oxidation of a spherical coal particle is considered. The energy and species conservation equations formulated in spherical coordinates are discretised using the finite-volume approach. The boundary conditions for the temperature and species mass fractions at the solid–gas interface are modelled via special source terms activated in the interface cells. The numerical model was validated against analytic one- and two-film models for coal combustion in a dry-air atmosphere. Very good agreement was obtained. Based on the model developed a numerical study was carried out on the influence of water vapour on the partial oxidation of a spherical coal particle. Numerous numerical simulations were performed for particle diameters in the range 200×10−6 m to 2×10−2 m. The ambient temperature was varied in the range between 700 and 3000 K. The analysis of results showed that the addition of H2O has an influence on the solution convergence due to the catalytic effect of water in the coal monoxide oxidation reaction making the whole system stiffer. However, at the same time, it was found that if the ambient mass fraction of water vapour is below 1×10−3, its influence on combustion rates is minimal. The results of numerical simulations obtained for higher H2O concentration (>1×10−3) are discussed. [ABSTRACT FROM AUTHOR]