The Rate-Controlled Constrained-Equilibrium combustion modeling of n-butane/oxygen/diluent mixtures

Yu, Guangying; Zhang, Yeqing; Wang, Ziyu; Bai, Ziwei; Metghalchi, Hameed

doi:10.1016/j.fuel.2018.11.080

Cited by 6 publications

(1 citation statement)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, the implementation of these schemes in CFD software is not straightforward as discussed in . Computational singular perturbation (CSP), − intrinsic low-dimensional manifold methods (IDLM), , repro modeling, rate-controlled constrained equilibrium (RCCE), − flame-generated manifolds method (FGM), Roussel and Fraser algorithm (RF), and S-step algorithm are the main algorithms developed during the last decades to achieve reduced versions of the detailed mechanisms. Generally, in these algorithms, one may select a number of species and steps and reduce them to an acceptable level of lower accuracy.…”

Section: Introductionmentioning

confidence: 99%

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Zarch,

Mazaheri,

Khademorezaeian

2024

ACS Omega

View full text Add to dashboard Cite

A novel algorithm is introduced to reduce the number of detailed kinetic mechanisms. The algorithm uniquely employs a classification of species and a defined parameter that quantitatively identifies the contribution of each species under a combustion condition of interest with specific species targeting. It also incorporates sensitivity analysis, the directed relation graph (DRG) method, and dynamic refinement. The proposed procedure is applied to the GRI-3.0 mechanism with atmospheric pollutants (CO, CO2, NO, and NO2) targeted in a lean methaneair flame at high pressures. The performance of the reduced mechanism is assessed, and good accuracy with considerable computational cost reduction is achieved. Investigated properties by the perfectly stirred reactor (PSR) model incorporated adiabatic flame temperature and the concentrations of targeted pollutants versus equivalence ratio (0.5−1.2), pressure (1−14 bar), and residence time (0.001−1 s) variations. The maximum prediction errors of temperature and greenhouse gas (GHG) mole fractions' profiles were less than 1%, while NOx versus residence time showed errors of 11.7 and 4%, respectively. Additionally, the flame speed yielded a maximum deviation of less than 2%. The computational cost in a 2D (axisymmetric) simulation revealed a 61% reduction. It is shown that the introduced algorithm is effective and can be applied to large mechanisms aiming for particular species predictions under specified operating conditions with lower computational costs.

show abstract

Section: Introductionmentioning

confidence: 99%

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Zarch,

Mazaheri,

Khademorezaeian

2024

ACS Omega

View full text Add to dashboard Cite

show abstract

The Rate-Controlled Constrained-Equilibrium Combustion Modeling of n-Pentane/Oxygen/Diluent Mixtures

Wang

et al. 2019

Journal of Energy Resources Technology

View full text Add to dashboard Cite

Rate-controlled constrained equilibrium (RCCE) is a reduction technique used to describe the time evolution of complex chemical reacting systems. This method is based on the assumption that a nonequilibrium system can reach its final equilibrium state by a series of RCCE states determined by maximizing entropy or minimizing relevant free energy. Those constraints are imposed by some small number of slow reactions. Much research has been done on this method and many RCCE models of C1−C4 hydrocarbon fuel combustion have been established by the previous researchers. Those models show good performance compared with the result of detailed kinetic model (DKM). In this study, RCCE method is further developed to model normal pentane (n-C5H12) combustion with least number of constraints. The chemical mechanism for DKM contains 133 species and 922 reactions. Two sets of constraints were found during the study: (1) 16 constraints for the normal pentane and pure oxygen mixture and (2) 14 constraints for the mixture of normal pentane and oxygen with argon as diluent. Results of the first constraint set were compared with result of DKM and results of the second constraint set were compared with those of DKM and experimental data by calculating their ignition delay times. Comparisons showed that the first set of constraints had relatively good accuracy and the second set of constraints agreed very well with the experimental data.

show abstract

Design Performance Simulation of a Supercritical CO2 Cycle Coupling With a Steam Cycle for Gas Turbine Waste Heat Recovery

Bai

Zhang

Yang

et al. 2019

Journal of Energy Resources Technology

View full text Add to dashboard Cite

This study presents a train of thought and method for flue gas energy utilization management by connecting an optimized supercritical carbon dioxide (S-CO2) Brayton cycle with a selected steam/water Rankine cycle to recover the turbine exhaust gas heat with promising flue gas coupling capacity. Better performance over the currently used steam/water bottoming cycle is expected to be obtained by the combined bottoming cycle after the S-CO2 cycle is coupled with the high-temperature flue gas. The performances of several S-CO2 cycles are compared, and the selected steam/water cycle is maintained with constant flue gas inlet temperature to properly utilize the low-temperature flue gas. Aspen Plus is used for simulating the cycle performances and the flue gas heat duty. Results show that the recompression S-CO2 cycle with the reheating process is most recommended to be used in the combined bottoming cycle within the research scope. The suggested combined bottoming cycle may outperform most of the triple reheat steam/water cycles for the turbine exhaust temperature in the range of 602–640 °C. Subsequently, it is found that the intercooling process is not suggested if another heat recovery cycle is connected. Moreover, the specific work of the suggested S-CO2 cycles is calculated, and the bottoming cycle with the preheating cycle with the reheating process is found to be more compact than any other combined bottoming cycles.

show abstract

The Rate-Controlled Constrained-Equilibrium combustion modeling of n-butane/oxygen/diluent mixtures

Cited by 6 publications

References 55 publications

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

The Rate-Controlled Constrained-Equilibrium Combustion Modeling of n-Pentane/Oxygen/Diluent Mixtures

Design Performance Simulation of a Supercritical CO2 Cycle Coupling With a Steam Cycle for Gas Turbine Waste Heat Recovery

Contact Info

Product

Resources

About