A comprehensive
Euler–Lagrange framework for pulverized
coal combustion using detailed multi-step heterogeneous kinetics is
presented. The heterogeneous kinetics employ the POLIMI model that
involves 37 species (22 solid species and 15 gas species) and 49 reactions
to describe detailed pyrolysis as well as char oxidation, gasification,
and annealing for a wide range of coals. The porous structure of the
coal particles is considered, and the heterogeneous reactions are
assumed to occur throughout the entire particle in a volume-based
approach. The ordinary differential equations of the heterogeneous
kinetics are integrated on each Lagrangian coal particle and predict
the conversion of the raw coal components to light volatile hydrocarbons,
heavy tar species, and char off-gases. Hence, the composition of the
solid fuel components and the released gas changes dynamically in
space and time, providing high-fidelity predictions of solid fuel
combustion. The chemical conversion of the released species in the
gas phase is described by a homogeneous kinetic mechanism with 76
species and 973 reactions that was reduced from the comprehensive
CRECK-G-1407 kinetic mechanism. The new modeling framework is employed
within carrier-phase direct numerical simulations (CP-DNS) of pulverized
coal combustion in a three-dimensional turbulent mixing layer. This
configuration includes the additional physics of turbulence and particle
group combustion by mixing solid fuel particles suspended in a primary
oxidizer stream with the products from lean volatile combustion in
a secondary stream. The CP-DNS results are analyzed with and without
the available set of 14 char conversion reactions, and a low degree
of char conversion indicated by an increased rate of CO production
is captured for particles with temperatures higher than 1800 K. The
CP-DNS results from the detailed POLIMI approach feature a distinct
bimodal shape of the volatile release curve and multi-regime combustion.
The POLIMI data are used to evaluate the predictive capability of
simpler pyrolysis models. The original competing two-step model (C2SM)
by Kobayashi is investigated and shown to predict heavily delayed
ignition. A new competing two-step devolatilization approach is proposed
as an alternative model reduction suitable for fitting bimodal volatile
release rates, such as that predicted by POLIMI. The CP-DNS using
the alternative pyrolysis model faithfully captures the onset of ignition
and multi-regime flame branches. Differences arise in the local tar
species compositions in the gas phase as a result of the time-varying
(POLIMI) and fixed (new C2SM) volatile compositions for the respective
models. The flame structure is further analyzed by chemical explosive
mode analysis (CEMA), and the occurrence of premixed and non-premixed
flames zones is confirmed, whereas a simpler flame index analysis
fails to correctly indicate the multi-regime nature of the flame.
This recognition of multi-regime combustion serves as a guidance for
selecting suitable conditioning variables for...