An optimized kinetic model for H<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>/CO combustion in CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math> diluent at elevated pressures

Li, Wenyu; Zou, Chun; Yao, Hong; Lin, Qianjin; Fu, Rui; Luo, Jian

doi:10.1016/j.combustflame.2022.112093

Cited by 14 publications

(4 citation statements)

References 90 publications

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“…Among the experimental data, 204 IDT and 522 LFS measurements were diluted in CO 2 and hence are relevant to oxyfuel combustion. For syngas, the set of data collected in our previous work was used, including 787 IDT and 2066 LFS measurements.…”

Section: Experimental Datamentioning

confidence: 99%

“…Combustion model optimization methods systematically adjust the rate parameters to improve the agreement between model prediction and experimental data. The method was initially proposed by Miller and Frenklach and has received extensive development and application − in combustion kinetics. Numerous experimental results on IDT, LFS, and species profile (SP) have been reported, providing a good foundation for validating/improving methane combustion models.…”

Section: Introductionmentioning

confidence: 99%

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An Optimized Methane Reaction Model for Oxyfuel Combustion

et al. 2023

Energy Fuels

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Pressurized oxyfuel combustion technology is a potential solution for reducing greenhouse gas emissions by carbon capture and storage while burning hydrocarbon fuels. Numerous experiments on CH4 ignition delay times and laminar flame propagation velocities at high pressures and CO2 atmosphere dilution have been reported, contributing to the improvement of current CH4 combustion kinetic models. However, existing mainstream models produce significantly larger prediction errors for syngas ignition delay time data, especially under oxyfuel combustion conditions. Motivated by the observation, an optimized CH4 model was developed based on a comprehensive set of experimental data, including 2205 ignition delay time, 3344 laminar flame speed, and 200 species profile measurements and balanced the predicted performance of the syngas. A novel sampling strategy was developed and embedded in the optimization algorithm to improve the computational efficiency. The optimized rate constants fall reasonably within the estimated uncertainty range. Prediction performance of the optimized model was evaluated and compared to four well-established models. The optimized model showed considerably improved results, providing a better balance between the prediction of ignition delay time and laminar flame speed data. The kinetic reasons for the improved performance were examined and discussed.

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Section: Experimental Datamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

An Optimized Methane Reaction Model for Oxyfuel Combustion

et al. 2023

Energy Fuels

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“…Specifically, the chemical species and thermal diffusion coefficients, and the thermal conductivities have been computed through the solution of a system of equations involving the species mole fractions, the binary diffusion coefficients and the thermodynamic and molecular properties of the chemical species. Four different reaction mechanisms for syngas combustion have been employed for the simulations [35][36][37][38], in order to evaluate the Laminar Flame Speed (LFS) for an ozone-assisted combustion. The GRI3.0 mechanism [35] includes the chemical reactions for nitrogen oxides formation, whereas the Saxena submechanism for 𝑁𝑁𝐶𝐶 𝑥𝑥 [39] has been added to the remaining mechanisms.…”

Section: The Mathematical Modelmentioning

confidence: 99%

“…This is probably due to the specific thermodynamic and mixture composition conditions (ambient conditions with syngas highly diluted by nitrogen), which are fairly different from the conditions under which these mechanisms were developed. For instance, the mechanism for syngas [38], which has been employed to generate the "Li22" mechanism, was obtained starting from the mechanism of Kéromnès et al [41] and was optimized for high pressure conditions in 𝐶𝐶𝐶𝐶 2 diluent. On the other hand, for the case of undiluted syngas with 𝛼𝛼 = 50%, shown in Fig.…”

Section: Lfs For 𝐶𝐶𝐶𝐶/𝐻𝐻 2 /𝐴𝐴𝐴𝐴𝐴𝐴 Mixturesmentioning

confidence: 99%

A Numerical Investigation on Laminar Flame Speed of Syngas in Air with Ozone Addition

D’Amato,

Magi,

Viggiano

2023

J. Phys.: Conf. Ser.

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In the context of energy and propulsion systems, in recent years engineering research has increased its efforts to develop more efficient technologies with a lower environmental impact. Specifically, new combustion systems have been investigated, such as ultra-lean combustion and Homogeneous Charge Compression Ignition (HCCI) combustion, and sustainable fuels have been employed. With respect to the latter option, syngas and hydrogen have emerged as attractive choices. However, the low specific energy of syngas and the presence of diluents can cause flame failure and instability. On the other hand, it is well known that ozone-assisted combustion enhances the Laminar Flame Speed (LFS), reduces the ignition delay time, and improves the flame stabilization of fuels such as methane, n-heptane and iso-octane, since it affects the chemistry in the Low Temperature Combustion (LTC) regime. In this context, the aim of the present work is to evaluate the effect of ozone on the LFS of syngas/ozone/air mixtures. Specifically, 1-D simulations have been carried out to compute the LFS of CO/H2 and CO/H2/N2 syngas mixtures. The model has been validated against experimental data available in the scientific literature by considering four different reaction mechanisms. Then, the model has been used to perform a parametric analysis by considering different conditions in terms of syngas composition (three different CO/H2 ratios) and equivalence ratio (from 0.5 to 5). The results show that the addition of 2500 ppm of ozone in air results in an increase in LFS for all equivalence ratios examined. The four different mechanisms give comparable results in terms of LFS and LFS increase for CO/H2 syngas, and are also able to predict ozone effect on LFS enhancement for CO/H2/N2 mixtures. Finally, the results show that the influence of ozone, in terms of LFS percentage increase, is greater for CO/H2 ultra lean mixtures with a lower CO/H2 ratio.

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