Development of a New Skeletal Chemical Kinetic Mechanism for Ethanol Reference Fuel

2015 ◽  
Vol 137 (6) ◽  
Author(s):  
O. Samimi Abianeh
Keyword(s):  
Ignition Delay ◽  
Laminar Flame ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Flame Speed ◽  
Combustion Mechanism ◽  
Laminar Flame Speed ◽  
Surrogate Fuels ◽  
Chemical Kinetic Mechanism ◽  
Fuel Surrogates

A new skeletal chemical kinetic mechanism of ethanol reference fuel (including ethanol, iso-octane, n-heptane, and toluene combustion mechanisms) consisting of 62 species and 194 reactions is developed for oxidation and combustion of gasoline blend surrogate fuels. The skeletal ethanol chemical kinetic mechanism is added to the toluene reference fuel (TRF) mechanism (including iso-octane, n-heptane, and toluene combustion mechanisms) using reaction paths and semidecoupling model. The ignition delay and laminar flame speed of the new combustion mechanism were modeled by using several fuel surrogates at different pressures, temperatures, and equivalence ratios. The skeletal chemical kinetic mechanism ignition delay and laminar flame speed are validated by comparison to the available experimental data of the shock tube and plate burner. The results indicate that satisfactory agreement between predictions and experimental measurements are achieved.

A Numerical Study on the Low Limit Auto-Ignition Temperature of Syngas and Modification of Chemical Kinetic Mechanism

2019 ◽  
Author(s):  
Seung Eon Jang ◽  
Jin Park ◽  
Sang Hyeon Han ◽  
Hong Jip Kim ◽  
Ki Sung Jung ◽  
...  
Keyword(s):  
Low Temperature ◽  
Temperature Region ◽  
Ignition Delay ◽  
Delay Time ◽  
Ignition Delay Time ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Numerical Results ◽  
Auto Ignition ◽  
Chemical Kinetic Mechanism

Abstract In this study, the auto ignition with low limit temperature of syngas has been numerically investigated using a 2-D numerical analysis. Previous study showed that auto ignition was observed at above 860 K in co-flow jet experiments using syngas and dry air. However, the auto ignition at this low temperature range could not be predicted with existing chemical mechanisms. Inconsistency of the auto ignition temperature between the experimental and numerical results is thought to be due to the inaccuracy of the chemical kinetic mechanism. The prediction of ignition delay time and sensitivity analysis for each chemical kinetic mechanism were performed to verify the reasons of the inconsistency between the experimental and numerical results. The results which were calculated using the various mechanisms showed significantly differences in the ignition delay time. In this study, we intend to analyze the reason of discrepancy to predict the auto ignition with low pressure and low temperature region of syngas and to improve the chemical kinetic mechanism. A sensitive analysis has been done to investigate the reaction steps which affected the ignition delay time significantly, and the reaction rate of the selected reaction step was modified. Through the modified chemical kinetic mechanism, we could identify the auto ignition in the low temperature region from the 2-D numerical results. Then CEMA (Chemical Explosive Mode Analysis) was used to validate the 2-D numerical analysis with modified chemical kinetic mechanism. From the validation, the calculated λexp, EI, and PI showed reasonable results, so we expect that the modified chemical kinetic mechanism can be used in various low temperature region.

A method for determining hydrogen–methane–nitrogen mixtures for laboratory tests of syngas-fuelled internal combustion engines

2020 ◽  
pp. 146808742094613
Author(s):  
Paolo Gobbato ◽  
Massimo Masi ◽  
Luigi De Simio ◽  
Sabato Iannaccone
Keyword(s):  
Energy Density ◽  
Internal Combustion Engines ◽  
Laminar Flame ◽  
Original Method ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Combustion Engines ◽  
Surrogate Fuels ◽  
Surrogate Fuel ◽  
Methane Number

An original method for formulating surrogate fuels from actual syngas mixtures is presented and formalised. The method is the first example in the scientific literature of a rather complete tool for planning and setting up a laboratory syngas-fuelled engine test when some components of the syngas mixture are not available. Basically, the method allows a map to be built that provides the composition for a surrogate fuel once the composition of a syngas mixture is assigned, the components of a surrogate fuel are selected and the equivalence parameters are defined. The laminar flame speed, the energy density of the fuel–air mixture and the methane number are identified as equivalence parameters in the study. In particular, the proper laminar flame speed and energy density ensure that an engine fuelled by the surrogate mixture produces the same indicated power as it would when fuelled by the original syngas. Instead, the methane number allows for checking the fact that the tendency of the engine to knock is the same or greater than the knock tendency during syngas operation. In this article, the method is used to determine the hydrogen–methane–nitrogen mixtures corresponding to six five-component syngas mixtures, resulting from actual gasification processes. The laminar flame speed and methane number of each syngas mixture are estimated by means of simple original models aimed at either improving the predicting capabilities of existing models or allowing for a prompt application of the procedure. The results show that four of the six surrogate fuels are equally or more knock-prone than the original syngas mixtures, whereas only one of the two remaining surrogate fuels likely imposes a retardation of the spark advance in the final setup of the engine for actual syngas operation.

scholarly journals Development of a chemical-kinetic database for the laminar flame speed under GDI and water injection engine conditions

2018 ◽  
Vol 148 ◽  
pp. 154-161 ◽  
Author(s):  
Giulio Cazzoli ◽  
Stefania Falfari ◽  
Gian Marco Bianchi ◽  
Claudio Forte
Keyword(s):  
Laminar Flame ◽  
Water Injection ◽  
Chemical Kinetic ◽  
Flame Speed ◽  
Laminar Flame Speed

Theoretical Investigation of Autoignition of Combustible Gas Mixtures in Rapid Compression Machines

2002 ◽  
Author(s):  
Shaoping Shi ◽  
Daniel Lee ◽  
Sandra McSurdy ◽  
Michael McMillian ◽  
Steven Richardson ◽  
...  
Keyword(s):  
Experimental Data ◽  
Theoretical Investigation ◽  
Ignition Delay ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Reaction Scheme ◽  
Independent Manner ◽  
Elementary Reactions ◽  
Chemical Kinetic Mechanism ◽  
Rapid Compression

In any theoretical investigation of ignition processes in natural gas reciprocating engines, physical and chemical mechanisms must be adequately modeled and validated in an independent manner. The Rapid Compression Machine (RCM) has been used in the past as a tool to validate both autoignition models as well as turbulent mixing effects. In this study, two experimental cases were examined. In the first experimental case, the experimental measurements of Lee and Hochgreb (1998a) were chosen to validate the simulation results. In their experiments, hydrogen/oxygen/argon mixtures were used as reactants. In the simulations, a reduced chemical kinetic mechanism consisting of 10 species and 19 elementary reactions coupled to a CFD software, Fluent 6, was used to simulate the autoignition. The ignition delay from the simulation agreed very well with that from the experimental data of Lee and Hochgreb, (1998b). In the second case, experimental data derived from an RCM with two opposed, pneumatically driven pistons (Brett et al., 2001) were used to study the autoignition of methane/oxygen/argon mixtures. The reduced chemical kinetic mechanism DRM22, derived from the GRI-Mech reaction scheme coupled to Fluent 6, was applied in the simulations. The DRM22 scheme included 22 species and 104 reactions. When methane/oxygen/argon mixture were simulated for the RCM, the ignition delay deviated about 15% from the experimental results. The simulation approaches as well as the validation results are discussed in detail in this paper. The paper also discusses an evaluation of reduced reaction models available in the literature for subsequent Fluent modeling.

Laminar Flame Speed and Ignition Delay Time Data for the Kinetic Modeling of Hydrogen and Syngas Fuel Blends

2013 ◽  
Vol 135 (2) ◽  
Author(s):  
Michael C. Krejci ◽  
Olivier Mathieu ◽  
Andrew J. Vissotski ◽  
Sankaranarayanan Ravi ◽  
Travis G. Sikes ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Chemical Kinetics ◽  
Ignition Delay ◽  
Laminar Flame ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Elevated Pressures ◽  
Ignition Delay Times ◽  
Wide Range ◽  
Delay Times

Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50 by volume was chosen to demonstrate the effect of carbon monoxide on H2-O2 chemical kinetics at standard temperature and pressures up to 10 atm. All atmospheric mixtures were diluted with standard air, while all elevated-pressure experiments were diluted with a He:O2 ratio of 7:1 to minimize instabilities. The laminar flame speed measurements of hydrogen and syngas are compared to available literature data over a wide range of equivalence ratios, where good agreement can be seen with several data sets. Additionally, an improved chemical kinetics model is shown for all conditions within the current study. The model and the data presented herein agree well, which demonstrates the continual, improved accuracy of the chemical kinetics model. A high-pressure shock tube was used to measure ignition delay times for several baseline compositions of syngas at three pressures across a wide range of temperatures. The compositions of syngas (H2/CO) by volume presented in this study included 80/20, 50/50, 40/60, 20/80, and 10/90, all of which are compared to previously published ignition delay times from a hydrogen-oxygen mixture to demonstrate the effect of carbon monoxide addition. Generally, an increase in carbon monoxide increases the ignition delay time, but there does seem to be a pressure dependency. At low temperatures and pressures higher than about 12 atm, the ignition delay times appear to be indistinguishable with an increase in carbon monoxide. However, at high temperatures the relative composition of H2 and CO has a strong influence on ignition delay times. Model agreement is good across the range of the study, particularly at the elevated pressures.

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