Reduced reaction mechanism for natural gas combustion in novel power cycles

Drost, Simon; Aznar, Miguel Sierra; Schießl, Robert; Ebert, M.; Chen, Jyh-Yuan; Maas, Ulrich

doi:10.1016/j.combustflame.2020.09.029

Cited by 17 publications

(23 citation statements)

References 53 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The reduced reaction mechanism UCB Chen serves as the basis for the development process of the C 2 H 5 OH reduced reaction mechanism. Two versions of the UCB Chen reaction mechanism are available, one with 49 species included in 332 reactions (UCB Chen 49) and one with 57 species included in 399 reactions (UCB Chen 57).…”

Section: Numerical Methodsmentioning

confidence: 99%

“…The reduced C 2 H 5 OH submechanism is developed by performing sensitivity analyses with AramcoMech 3.0 to identify the most important reactions with respect to the oxidation of C 2 H 5 OH at relevant conditions. The most important reactions found by sensitivity analyses are added to the UCB Chen reaction mechanism . At this point, it must be noted that there are two versions of the UCB Chen reaction mechanism (49 species and 57 species, see the Reduced C1–C3 Reaction Mechanism section).…”

Section: Numerical Methodsmentioning

confidence: 99%

“…The reaction with the highest positive sensitivity was found to be reaction . The reaction with the most negative sensitivity which is not included in the UCB Chen reaction mechanism was reaction . Under the conditions investigated, the reaction HO 2 + HO 2 → H 2 O 2 + O 2 has the most negative sensitivity.…”

Section: Numerical Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

et al. 2021

Self Cite

View full text Add to dashboard Cite

Rapid compression machine, shock-tube, plug-flow reactor, and heat-flux burner experiments were performed for stoichiometric and fuel-rich ethanol/air mixtures. The experimental ignition delay time conditions included temperatures from 801 to 1313 K at pressures of approximately 10, 20, and 40 bar. Species concentration profiles are measured in a range from 423 to 973 K at a pressure of 6 bar, and laminar burning velocities are measured in a range of 358–388 K at a pressure of 1 bar. The experimental results were simulated using the detailed reaction mechanism AramcoMech 3.0, showing that this mechanism is well suited even for the large range of experimental conditions covered in our work. Furthermore, a reduced mechanism was developed and validated with our experimental data. The sarting point for the reduced mechanism is an already existing reduced reaction mechanism (UCB Chen) for methane, ethane, and propane oxidations. Additional reactions for the ethanol subsystem were taken from AramcoMech 3.0. They were chosen according to their importance in representing the experimental data in simulations with the detailed AramcoMech 3.0, resulting in four additional species and 27 additional reactions. The performance of the reduced mechanism was compared against experimental results from this work, from the literature, and against simulations based on the detailed reaction mechanism. The reduced mechanism shows only minor differences in the results compared to the detailed AramcoMech 3.0. It reproduces very well experimentally with determined ignition delay times of ethanol/argon/nitrogen/oxygen mixtures with inert gas/oxygen ratios between 3.76 and 7.52 (molar), equivalence ratios between 1 and 2 in a temperature range from 848 to 1313 K, and pressures from 10 to 40 bar. Furthermore, it can also predict with a high accuracy laminar burning velocities and species profiles in plug-flow reactors.

show abstract

Section: Numerical Methodsmentioning

confidence: 99%

Section: Numerical Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

et al. 2021

Self Cite

View full text Add to dashboard Cite

show abstract

“…Several reduction methodologies have been proposed for the combustion of various fuel mixtures earlier. 21,22 However, to the best of our knowledge, the reduced mechanism for the BCl 3 +CH 4 +H 2 mixture is hardly available in the literature. Therefore, the second goal of the study is to obtain the reduced mechanism that would accurately describe the gas-phase kinetic of boron carbide CVD for the BCl 3 + CH 4 + H 2 mixture.…”

Section: Introductionmentioning

confidence: 99%

“…Of course, the systematic procedure must be followed while reducing the mechanism to represent the detailed kinetics chemistry adequately. Several reduction methodologies have been proposed for the combustion of various fuel mixtures earlier 21,22 . However, to the best of our knowledge, the reduced mechanism for the BCl 3 +CH 4 +H 2 mixture is hardly available in the literature.…”

Section: Introductionmentioning

confidence: 99%

Gas‐phase kinetic of boron carbide chemical vapor deposition using BCl₃+CH₄+H₂ mixture

2022

View full text Add to dashboard Cite

A detailed chemical kinetic mechanism consisting of 472 reactions and 61 species for the gas‐phase thermal decomposition of BCl3+CH4+H2 mixtures is used to model the chemical vapor deposition (CVD) of boron carbide. The mechanism is constructed using a reaction mechanism generator (RMG), which is automatic and requires no or less human intervention. New functionality, considerable thermodynamic and kinetic data have been added to RMG to account for boron chemistry. The model considers all necessary reactions in the reaction pathways and reasonably predicts the experimental data available from the literature. The sensitivity analysis identifies crucial species responsible for boron carbide formation. Besides, a reduced mechanism (15 species and 26 reactions) is derived from a detailed mechanism, which could be used to expedite an effective CVD reactor design through numerical simulations. The performance of the reduced model is also evaluated concerning the complete mechanism, which shows that the reduced model can predict the reactor behavior reasonably well.

show abstract

A comprehensive kinetic modeling of oxymethylene ethers (OMEn, n=1–3) oxidation - laminar flame speed and ignition delay time measurements

Shrestha

Eckart

Drost

et al. 2022

Combustion and Flame

View full text Add to dashboard Cite

Reduced reaction mechanism for natural gas combustion in novel power cycles

Cited by 17 publications

References 53 publications

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

Gas‐phase kinetic of boron carbide chemical vapor deposition using BCl₃+CH₄+H₂ mixture

A comprehensive kinetic modeling of oxymethylene ethers (OMEn, n=1–3) oxidation - laminar flame speed and ignition delay time measurements

Contact Info

Product

Resources

About

Reduced reaction mechanism for natural gas combustion in novel power cycles

Cited by 17 publications

References 53 publications

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

Gas‐phase kinetic of boron carbide chemical vapor deposition using BCl3+CH4+H2 mixture

A comprehensive kinetic modeling of oxymethylene ethers (OMEn, n=1–3) oxidation - laminar flame speed and ignition delay time measurements

Contact Info

Product

Resources

About

Gas‐phase kinetic of boron carbide chemical vapor deposition using BCl₃+CH₄+H₂ mixture