Enhancement of a Detailed Mechanism of Propene

2010 ◽  
Author(s):  
Marina Braun-Unkhoff ◽  
Nadezhda Slavinskaya ◽  
Manfred Aigner
Keyword(s):  
Ignition Delay Time ◽  
Soot Formation ◽  
Laminar Flame ◽  
Gas Mixtures ◽  
Reaction Model ◽  
Laminar Flame Speed ◽  
Predictive Capability ◽  
Combustion Properties ◽  
Important Intermediate ◽  
Oxygen Gas

Propene (C3H6) is an important constituent of practical hydrocarbons fuels and an important intermediate in the combustion of these fuels. Furthermore, synthetic gases such as biogenic gas mixtures not only consist of hydrogen, methane, and carbon monoxide, but also of small amounts of higher hydrocarbons, in different proportions, including propene. In the present work, a detailed propene sub-model was constructed starting from an in-house reaction model (DLR-LS) shown previously to describe major combustion properties including PAH and soot formation for several different fuel air flames. The predictive capability of the detailed propene submodel concerning laminar flame speed and ignition delay time of different propene-oxygen mixtures will be discussed. These data are needed to describe the heat release and to predict the possibility of a flashback. From these comparisons, it is concluded that the extended propene sub-model is capable to predict combustion properties of propene-oxygen gas mixtures.

A Detailed and Reduced Reaction Mechanism of Biomass-Based Syngas Fuels

2010 ◽  
Vol 132 (9) ◽  
Author(s):  
Marina Braun-Unkhoff ◽  
Nadezhda Slavinskaya ◽  
Manfred Aigner
Keyword(s):  
Reaction Mechanism ◽  
Laminar Flame ◽  
Chemical Kinetic ◽  
Laminar Flame Speed ◽  
Predictive Capability ◽  
Kinetic Reaction ◽  
Auto Ignition ◽  
Combustion Properties ◽  
Detailed Chemical ◽  
Good Agreement

In the present work, the elaboration of a reduced kinetic reaction mechanism is described, which predicts reliably fundamental characteristic combustion properties of two biogenic gas mixtures consisting mainly of hydrogen, methane, and carbon monoxide, with small amounts of higher hydrocarbons (ethane and propane) in different proportions. From the in-house detailed chemical kinetic reaction mechanism with about 55 species and 460 reactions, a reduced kinetic reaction mechanism was constructed consisting of 27 species and 130 reactions. Their predictive capability concerning laminar flame speed (measured at T0=323 K, 373 K, and 453 K, at p=1 bar, 3 bars, and 6 bars for equivalence ratios φ between 0.6 and 2.2) and auto ignition data (measured in a shock tube between 1035 K and 1365 K at pressures around 16 bars for φ=0.5 and 1.0) are discussed in detail. Good agreement was found between experimental and calculated values within the investigated parameter range.

The Effect of Impurities on Ignition Delay Times and Laminar Flame Speeds of Syngas Mixtures at Gas Turbine Conditions

2014 ◽  
Author(s):  
Olivier Mathieu ◽  
Joshua W. Hargis ◽  
Eric L. Petersen ◽  
John Bugler ◽  
Henry J. Curran ◽  
...  
Keyword(s):  
Ignition Delay ◽  
Delay Time ◽  
Gas Turbines ◽  
Ignition Delay Time ◽  
Laminar Flame ◽  
Flame Speed ◽  
Operating Conditions ◽  
Laminar Flame Speed ◽  
Ignition Delay Times ◽  
Combustion Properties

In addition to mostly H2 and CO, syngas also contains reasonable amounts of light hydrocarbons, CO2, H2O, N2, and Ar. Impurities such as NH3, HCN, COS, H2S, and NOx (NO, NO2, N2O) are also commonly found in syngas. The presence of these impurities, even in very low concentrations, can induce some large changes in combustion properties. Although they introduce potential design and operational issues for gas turbines, these changes in combustion properties due to the presence of impurities are still not well characterized. The aim of this work was therefore to investigate numerically the effect of the presence of impurities in realistic syngas compositions on some fundamental combustion properties of premixed systems such as laminar flame speed and ignition delay time, at realistic engine operating conditions. To perform this study, a state-of-the-art C0–C3 detailed kinetics mechanism was used. This mechanism was combined with recent, optimized sub-mechanisms for impurities which can impact the combustion properties of the syngas such as nitrogenous species (i.e., N2O, NO2, NH3, and HCN) and sulfur-based species such as H2S, SO2 and COS. Several temperatures, pressures, and equivalence ratios were investigated. The results of this study showed that the addition of some impurities modifies notably the reactivity of the mixture. The ignition delay time is decreased by the addition of NO2 and H2S at the temperatures and pressures for which the HO2 radical dominates the H2 combustion. However, while NO2 has no effect when OH is dominating, H2S increases the ignition delay time in such conditions for pressures above 1 atm. The amplitude of these effects is however dependent on the impurity concentration. Laminar flame speeds are not sensitive to NO2 addition but they are to NH3 and HCN, inducing a small reduction of the laminar flame speed at fuel rich conditions. H2S exhibits some inhibiting effects on the laminar flame speed but only for high concentrations. The inhibiting effects of NH3, HCN, and H2S are due to the OH radical consumption by these impurities, leading to the formation of radicals that are less reactive.

A Detailed and Reduced Reaction Mechanism of Biomass-Based Syngas Fuels

2009 ◽  
Author(s):  
Marina Braun-Unkhoff ◽  
Nadezhda Slavinskaya ◽  
Manfred Aigner
Keyword(s):  
Reaction Mechanism ◽  
Laminar Flame ◽  
Chemical Kinetic ◽  
Laminar Flame Speed ◽  
Predictive Capability ◽  
Kinetic Reaction ◽  
Auto Ignition ◽  
Combustion Properties ◽  
Detailed Chemical ◽  
Good Agreement

In the present work, the elaboration of a reduced kinetic reaction mechanism is described which predicts reliably fundamental characteristic combustion properties of two biogenic gas mixtures consisting mainly of hydrogen, methane, and carbon monoxide, with small amounts of higher hydrocarbons (ethane and propane), in different proportions. From the in-house detailed chemical kinetic reaction mechanism with about 55 species and 460 reactions, a reduced kinetic reaction mechanism was constructed consisting of 27 species and 130 reactions. Their predictive capability concerning laminar flame speed (measured at T0 = 323 K, 373 K and 453 K, at p = 1 bar, 3 bar, and 6 bar for equivalence ratios φ between 0.6 and 2.2) and auto ignition data (measured in a shock tube between 1035 and 1365 K at pressures around 16 bar for φ = 0.5 and 1.0) are discussed in detail. Good agreement was found between experimental and calculated values within the investigated parameter range.

Numerical Study on the Effect of Real Syngas Compositions on Ignition Delay Times and Laminar Flame Speeds at Gas Turbine Conditions

2013 ◽  
Author(s):  
Olivier Mathieu ◽  
Eric L. Petersen ◽  
Alexander Heufer ◽  
Nicola Donohoe ◽  
Wayne Metcalfe ◽  
...  
Keyword(s):  
Ignition Delay ◽  
Delay Time ◽  
Gas Turbines ◽  
Ignition Delay Time ◽  
Laminar Flame ◽  
Numerical Study ◽  
Fuel Mixture ◽  
Flame Speed ◽  
Operating Conditions ◽  
Combustion Properties

Depending on the feedstock and the production method, the composition of syngas can include (in addition to H2 and CO) small hydrocarbons, diluents (CO2, water, and N2), and impurities (H2S, NH3, NOx, etc.). Despite this fact, most of the studies on syngas combustion do not include hydrocarbons or impurities and in some cases not even diluents in the fuel mixture composition. Hence, studies with realistic syngas composition are necessary to help designing gas turbines. The aim of this work was to investigate numerically the effect of the variation in the syngas composition on some fundamental combustion properties of premixed systems such as laminar flame speed and ignition delay time at realistic engine operating conditions. Several pressures, temperatures, and equivalence ratios were investigated. To perform this parametric study, a state-of-the-art C0-C5 detailed kinetics mechanism was used. Results of this study showed that the addition of hydrocarbons generally reduces the reactivity of the mixture (longer ignition delay time, slower flame speed) due to chemical kinetic effects. The amplitude of this effect is however dependent on the nature and concentration of the hydrocarbon as well as the initial condition (pressure, temperature, and equivalence ratio).

An Experimental and Modeling Study of Laminar Flame Speeds of Alternative Aviation Fuels

2011 ◽  
Author(s):  
Thomas Kick ◽  
Trupti Kathrotia ◽  
Marina Braun-Unkhoff ◽  
Uwe Riedel
Keyword(s):  
Laminar Flame ◽  
Cone Angle ◽  
Reaction Model ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Alternative Aviation Fuels ◽  
Predicted Values ◽  
Angle Method ◽  
Eu Project ◽  
Good Agreement

The present work reports on measurements of burning velocities of synthetic fuel air mixtures exploiting the cone-angle method, as part of the EU project ALFA-BIRD. The GtL (Gas-to-Liquid)-air mixtures — (i) 100% GtL and (ii) GtL+20% hexanol, respectively — were studied at atmospheric pressure, with values of the equivalence ratio φ ranging between φ ∼ 1.0 and φ ∼ 1.3, at preheat temperatures To = 423 K (GtL+20% hexanol) as well as To = 473 K (for 100% GtL and GtL+20% hexanol). A comparison between experimentally obtained burning velocities and predicted values of laminar flame speed is presented, too. In general, good agreement was found between predicted and measured data for the range of conditions considered in the present study. The predictive capability of the detailed reaction model consisting of 3479 reactions involving 490 species will be discussed focusing on the laminar flame speed and the combustion of the components (n-decane, iso-octane, and 1-hexanol) of the surrogate used.

scholarly journals The Influence of Diluent Gases on Combustion Properties of Natural Gas: A Combined Experimental and Modeling Study

2016 ◽  
Vol 138 (10) ◽  
Author(s):  
Sandra Richter ◽  
Jörn Ermel ◽  
Thomas Kick ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
...  
Keyword(s):  
Power Generation ◽  
Natural Gas ◽  
Laminar Flame ◽  
Ambient Pressure ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Diverse Range ◽  
Combustion Properties ◽  
Modeling Study ◽  
A Share

Currently, new concepts for power generation are discussed, as a response to combat global warming due to CO2 emissions stemming from the combustion of fossil fuels. These concepts include new, low-carbon fuels as well as centralized and decentralized solutions. Thus, a more diverse range of fuel supplies will be used, with (biogenic) low-caloric gases such as syngas and coke oven gas (COG) among them. Typical for theses low-caloric gases is the amount of hydrogen, with a share of 50% and even higher. However, hydrogen mixtures have a higher reactivity than natural gas (NG) mixtures, burned mostly in today's gas turbine combustors. Therefore, in the present work, a combined experimental and modeling study of nitrogen-enriched hydrogen–air mixtures, some of them with a share of methane, to be representative for COG, will be discussed focusing on laminar flame speed data as one of the major combustion properties. Measurements were performed in a burner test rig at ambient pressure and at a preheat temperature T0 of 373 K. Flames were stabilized at fuel–air ratios between about φ = 0.5–2.0 depending on the specific fuel–air mixture. This database was used for the validation of four chemical kinetic reaction models, including an in-house one, and by referring to hydrogen-enriched NG mixtures. The measured laminar flame speed data of nitrogen-enriched methane–hydrogen–air mixtures are much smaller than the ones of nitrogen-enriched hydrogen–air mixtures. The grade of agreement between measured and predicted data depends on the type of flames and the type of reaction model as well as of the fuel–air ratio: a good agreement was found in the fuel lean and slightly fuel-rich regime; a large underprediction of the measured data exists at very fuel-rich ratios (φ > 1.4). From the results of the present work, it is obvious that further investigations should focus on highly nitrogen-enriched methane–air mixtures, in particular for very high fuel–air ratio (φ > 1.4). This knowledge will contribute to a more efficient and a more reliable use of low-caloric gases for power generation.

Ignition delay time and laminar flame speed measurements of mixtures containing diisopropyl-methylphosphonate (DIMP)

2020 ◽  
Vol 215 ◽  
pp. 66-77
Author(s):  
Olivier Mathieu ◽  
Travis Sikes ◽  
Waruna D. Kulatilaka ◽  
Eric L. Petersen
Keyword(s):  
Ignition Delay ◽  
Delay Time ◽  
Ignition Delay Time ◽  
Laminar Flame ◽  
Flame Speed ◽  
Laminar Flame Speed

An Investigation of Combustion Properties of Butanol and its Potential for Power Generation

2017 ◽  
Author(s):  
Torsten Methling ◽  
Sandra Richter ◽  
Trupti Kathrotia ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
...  
Keyword(s):  
Ignition Delay ◽  
Laminar Flame ◽  
Cone Angle ◽  
Transformation Method ◽  
Chemical Kinetic ◽  
Reaction Model ◽  
Ignition Delay Times ◽  
Combustion Properties ◽  
Delay Times ◽  
Reaction Models

Over the last years, global concerns about energy security and climate change have resulted in many efforts focusing on the potential utilization of non-petroleum-based, i.e. bio-derived, fuels. In this context, n-butanol has recently received high attention because it can be produced sustainably. A comprehensive knowledge about its combustion properties is inevitable to ensure an efficient and smart use of n-butanol if selected as a future energy carrier. In the present work, two major combustion characteristics, here laminar flame speeds applying the cone-angle method and ignition delay times applying the shock tube technique, have been studied, experimentally and by modeling exploiting detailed chemical kinetic reaction models, at ambient and elevated pressures. The in-house reaction model was constructed applying the RMG-method. A linear transformation method recently developed, linTM, was exploited to generate a reduced reaction model needed for an efficient, comprehensive parametric study of the combustion behavior of n-butanol/hydrocarbon mixtures. All experimental data were found to agree with the model predictions of the in-house reaction model, for all temperatures, pressures, and fuel-air ratios. On the other hand, calculations using reaction models from the open literature mostly overpredict the measured ignition delay times by about a factor of two. The results are compared to those of ethanol, with ignition delay times very similar and laminar flame speeds of n-butanol slightly lower, at atmospheric pressure.

Ignition Delay Time and Laminar Flame Speed Calculations for Natural Gas/Hydrogen Blends at Elevated Pressures

2012 ◽  
Author(s):  
Marissa Brower ◽  
Eric Petersen ◽  
Wayne Metcalfe ◽  
Henry J. Curran ◽  
Marc Füri ◽  
...  
Keyword(s):  
Natural Gas ◽  
Gas Turbine ◽  
Chemical Kinetics ◽  
Ignition Delay ◽  
Ignition Delay Time ◽  
Laminar Flame ◽  
Turbulent Flame ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Hydrogen Addition

Applications of natural gas and hydrogen co-firing have received increased attention in the gas turbine market, which aims at higher flexibility due to concerns over the availability of fuels. While much work has been done in the development of a fuels database and corresponding chemical kinetics mechanism for natural gas mixtures, there are nonetheless few if any data for mixtures with high levels of hydrogen at conditions of interest to gas turbines. The focus of the present paper is on gas turbine engines with primary and secondary reaction zones as represented in the Alstom and Rolls Royce product portfolio. The present effort includes a parametric study, a gas turbine model study, and turbulent flame speed predictions. Using a highly optimized chemical kinetics mechanism, ignition delay times and laminar burning velocities were calculated for fuels from pure methane to pure hydrogen and with natural gas/hydrogen mixtures. A wide range of engine-relevant conditions were studied: pressures from 1 to 30 atm, flame temperatures from 1600 to 2200 K, primary combustor inlet temperature from 300 to 900 K, and secondary combustor inlet temperatures from 900 to 1400 K. Hydrogen addition was found to increase the reactivity of hydrocarbon fuels at all conditions by increasing the laminar flame speed and decreasing the ignition delay time. Predictions of turbulent flame speeds from the laminar flame speeds show that hydrogen addition affects the reactivity more when turbulence is considered. This combined effort of industrial and university partners brings together the know-how of applied, as well as experimental and theoretical disciplines.

Sign in / Sign up

Export Citation Format

Share Document