429 research outputs found
Accelerating moderately stiff chemical kinetics in reactive-flow simulations using GPUs
The chemical kinetics ODEs arising from operator-split reactive-flow
simulations were solved on GPUs using explicit integration algorithms. Nonstiff
chemical kinetics of a hydrogen oxidation mechanism (9 species and 38
irreversible reactions) were computed using the explicit fifth-order
Runge-Kutta-Cash-Karp method, and the GPU-accelerated version performed faster
than single- and six-core CPU versions by factors of 126 and 25, respectively,
for 524,288 ODEs. Moderately stiff kinetics, represented with mechanisms for
hydrogen/carbon-monoxide (13 species and 54 irreversible reactions) and methane
(53 species and 634 irreversible reactions) oxidation, were computed using the
stabilized explicit second-order Runge-Kutta-Chebyshev (RKC) algorithm. The
GPU-based RKC implementation demonstrated an increase in performance of nearly
59 and 10 times, for problem sizes consisting of 262,144 ODEs and larger, than
the single- and six-core CPU-based RKC algorithms using the
hydrogen/carbon-monoxide mechanism. With the methane mechanism, RKC-GPU
performed more than 65 and 11 times faster, for problem sizes consisting of
131,072 ODEs and larger, than the single- and six-core RKC-CPU versions, and up
to 57 times faster than the six-core CPU-based implicit VODE algorithm on
65,536 ODEs. In the presence of more severe stiffness, such as ethylene
oxidation (111 species and 1566 irreversible reactions), RKC-GPU performed more
than 17 times faster than RKC-CPU on six cores for 32,768 ODEs and larger, and
at best 4.5 times faster than VODE on six CPU cores for 65,536 ODEs. With a
larger time step size, RKC-GPU performed at best 2.5 times slower than six-core
VODE for 8192 ODEs and larger. Therefore, the need for developing new
strategies for integrating stiff chemistry on GPUs was discussed.Comment: 27 pages, LaTeX; corrected typos in Appendix equations A.10 and A.1
Reduced chemistry for butanol isomers at engine-relevant conditions
Butanol has received significant research attention as a second-generation
biofuel in the past few years. In the present study, skeletal mechanisms for
four butanol isomers were generated from two widely accepted, well-validated
detailed chemical kinetic models for the butanol isomers. The detailed models
were reduced using a two-stage approach consisting of the directed relation
graph with error propagation and sensitivity analysis. During the reduction
process, issues were encountered with pressure-dependent reactions formulated
using the logarithmic pressure interpolation approach; these issues are
discussed and recommendations made to avoid ambiguity in its future
implementation in mechanism development. The performance of the skeletal
mechanisms generated here was compared with that of detailed mechanisms in
simulations of autoignition delay times, laminar flame speeds, and perfectly
stirred reactor temperature response curves and extinction residence times,
over a wide range of pressures, temperatures, and equivalence ratios. The
detailed and skeletal mechanisms agreed well, demonstrating the adequacy of the
resulting reduced chemistry for all the butanol isomers in predicting global
combustion phenomena. In addition, the skeletal mechanisms closely predicted
the time-histories of fuel mass fractions in homogeneous compression-ignition
engine simulations. The performance of each butanol isomer was additionally
compared with that of a gasoline surrogate with an antiknock index of 87 in a
homogeneous compression-ignition engine simulation. The gasoline surrogate was
consumed faster than any of the butanol isomers, with tert-butanol exhibiting
the slowest fuel consumption rate. While n-butanol and isobutanol displayed the
most similar consumption profiles relative to the gasoline surrogate, the two
literature chemical kinetic models predicted different orderings.Comment: 39 pages, 16 figures. Supporting information available via
https://doi.org/10.1021/acs.energyfuels.6b0185
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