Kinetic model of alkane oxidation at high pressure from methane to<i>n</i>-heptane

Жуков, В. В.

doi:10.1080/13647830902767302

Cited by 20 publications

(14 citation statements)

References 42 publications

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“…These findings are qualitatively validated by high-pressure experiments up to 530 atm. [48] An overview of important reactions in all three regimes can be found in Curran et al. [49] Besides a vanishing NTC behavior, we observe that the lowtemperature regime extends to higher temperatures and shorter ignition delay times with increasing pressure.…”

Section: Introductionsupporting

confidence: 56%

Exploring the Chemistry of Low‐Temperature Ignition by Pressure‐Accelerated Dynamics

et al. 2020

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Reaction models that accurately describe the complex reaction processes of ignition are key for the development of novel engine-and fuel concepts. Since reactive molecular dynamics can be used to discover reaction networks in a largely automated fashion, this method has the potential to drastically reduce the real time effort necessary for the development of reaction models. With standard reactive molecular dynamics, the simulation of low-temperature reaction processes is hindered by the small accessible time scales of only a few nanoseconds. In this work, we propose the pressure-accelerated dynamics method to overcome the time scales obstacle through exploitation of Le Chatelier's principle. For the example of pentane low-temperature ignition, we show that with pressure-accelerated dynamics, the ReaxFF reactive force field, and the ChemTraYzer not only the known key low-temperature igniton pathways can be found, but also reactions that are not yet included in reaction models.

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Section: Introductionsupporting

confidence: 56%

Exploring the Chemistry of Low‐Temperature Ignition by Pressure‐Accelerated Dynamics

et al. 2020

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“…[66][67][68] Further, simplification of the plasma combustion experimental analysis by detailed existing chemical models is done in these ranges of temperatures and pressures. For all the saturated hydrocarbons, validated kinetic models exist from methane to n-decane at temperatures >1000 to 1200 K and pressure ranges from several torr to several atmospheres.…”

Section: Kinetics Above Self-ignition Threshold For Plasma Combustionmentioning

confidence: 99%

“…For all the saturated hydrocarbons, validated kinetic models exist from methane to n-decane at temperatures >1000 to 1200 K and pressure ranges from several torr to several atmospheres. [66][67][68] Further, simplification of the plasma combustion experimental analysis by detailed existing chemical models is done in these ranges of temperatures and pressures. At high temperatures, the heating of combined homogenous nonequilibrium excitation due to gas discharge and the mixture must be regulated to overcome the difficulty encountered during plasma experiments.…”

Section: Kinetics Above Self-ignition Threshold For Plasma Combustionmentioning

confidence: 99%

A review on plasma combustion of fuel in internal combustion engines

et al. 2017

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Summary In recent years, new ways of improving the combustion efficiency of fuel during gas turbine operations have been developed. The most significant has been the application of plasma technology for the combustion of fuel in gas turbine operations. Plasma is formed when gas is exposed to either high temperature or high‐voltage electricity. This technology is very promising and has proven to enhance the performance of gas turbines and reduce toxic emissions. Recent studies have shown the use of different types of plasma applications in gas turbine operations such as plasma torch, filamentary discharge, and nanosecond pulse discharge, whose results show that plasma technology has great potential in improving flame stabilization, the fuel/air mixing ratio, and flash point values of these fuels. These findings and advances have further provided new opportunities in the development of efficient plasma discharges for practical uses in plasma combustion of fuel for gas turbine operations. This article is a comprehensive overview of the advances and blind spots in the knowledge of plasma combustion of fuel during internal combustion engine operations. This review also focuses on applications, methods, and experimental results in plasma combustion of fuel in gas turbines.

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“…can play role only in marginal cases. It is necessary to note that at high pressures, which is the case of rocket combustion chambers, the chain branching proceeds via the formation of HO 2 , H 2 O 2 radicals due to the high rates of the recombination processes [31]. For example, reaction:…”

Section: Skeletal Kinetic Modelmentioning

confidence: 99%

Verification, Validation, and Testing of Kinetic Mechanisms of Hydrogen Combustion in Fluid-Dynamic Computations

Жуков

2012

ISRN Mechanical Engineering

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A one-step, a two-step, an abridged, a skeletal, and four detailed kinetic schemes of hydrogen oxidation have been tested. A new skeletal kinetic scheme of hydrogen oxidation has been developed. The CFD calculations were carried out using ANSYS CFX software. Ignition delay times and speeds of flames were derived from the computational results. The computational data obtained using ANSYS CFX and CHEMKIN, and experimental data were compared. The precision, reliability, and range of validity of the kinetic schemes in CFD simulations were estimated. The impact of kinetic scheme on the results of computations was discussed. The relationship between grid spacing, time step, accuracy, and computational cost was analyzed.

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Kinetic model of alkane oxidation at high pressure from methane ton-heptane

Cited by 20 publications

References 42 publications

Exploring the Chemistry of Low‐Temperature Ignition by Pressure‐Accelerated Dynamics

Exploring the Chemistry of Low‐Temperature Ignition by Pressure‐Accelerated Dynamics

A review on plasma combustion of fuel in internal combustion engines

Verification, Validation, and Testing of Kinetic Mechanisms of Hydrogen Combustion in Fluid-Dynamic Computations

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