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
Author(s):  
Olivier Mathieu ◽  
Eric L. Petersen ◽  
Alexander Heufer ◽  
Nicola Donohoe ◽  
Wayne Metcalfe ◽  
...  

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 in 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 for the ignition delay times, namely 1, 10, and 35 atm, 900–1400 K, and ϕ = 0.5 and 1.0. For laminar flame speed, temperatures of 300 and 500 K were studied at pressures of 1 atm and 15 atm. Results 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).


Energies ◽  
2019 ◽  
Vol 12 (12) ◽  
pp. 2442 ◽  
Author(s):  
Nearchos Stylianidis ◽  
Ulugbek Azimov ◽  
Martin Birkett

This study investigated the effects of H2 and CH4 concentrations on the ignition delay time and laminar flame speed during the combustion of CH4/H2 and multicomponent syngas mixtures using a novel constructed reduced syngas chemical kinetics mechanism. The results were compared with experiments and GRI Mech 3.0 mechanism. It was found that mixture reactivity decreases and increases when higher concentrations of CH4 and H2 were used, respectively. With higher H2 concentration in the mixture, the formation of OH is faster, leading to higher laminar flame speed and shorter ignition delay time. CH4 and H2 concentrations were calculated at different pressures and equivalence ratios, showing that at high pressures CH4 is consumed slower, and, at different equivalence ratios CH4 reacts at different temperatures. In the presence of H2, CH4 was consumed faster. In the conducted two-stage sensitivity analysis, the first analysis showed that H2/CH4/CO mixture combustion is driven by H2-based reactions related to the consumption/formation of OH and CH4 recombination reactions are responsible for CH4 oxidation. The second analysis showed that similar CH4-based and H2 -based reactions were sensitive in both, methane- and hydrogen-rich H2/CH4 mixtures. The difference was observed for reactions CH2O + OH = HCO + H2O and CH4 + HO2 = CH3 + H2O2, which were found to be important for CH4-rich mixtures, while reactions OH + HO2 = H2O + O2 and HO2 + H = OH + OH were found to be important for H2-rich mixtures.


Author(s):  
Olivier Mathieu ◽  
Joshua W. Hargis ◽  
Eric L. Petersen ◽  
John Bugler ◽  
Henry J. Curran ◽  
...  

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.


2013 ◽  
Vol 699 ◽  
pp. 111-118
Author(s):  
Rui Shi ◽  
Chang Hui Wang ◽  
Yan Nan Chang

Based on GRI3.0, we study the main chemical kinetics process about reactions of singlet oxygen O2(a1Δg) and ozone O3 with methane-air combustion products, inherit and further develop research in chemical kinetics process with enhancement effects on methane-air mixed combustion by these two molecules. In addition, influence of these two molecules on ignition delay time and flame speed of laminar mixture are considered in our numerical simulation research. This study validates the calculation of this model which cotains these two active molecules by using experimental data of ignition delay time and the speed of laminar flame propagation. In CH4-air mixing laminar combustion under fuel-lean condition(ф=0.5), flame speed will be increased, and singlet oxygen with 10% of mole fraction increases it by 80.34%, while ozone with 10% mole fraction increase it by 127.96%. It mainly because active atoms and groups(O, H, OH, CH3, CH2O, CH3O, etc) will be increased a lot after adding active molecules in the initial stage, and chain reaction be reacted greatly, inducing shortening of reaction time and accelerating of flame speed. Under fuel rich(ф=1.5), accelerating of flame speed will be weakened slightly, singlet oxygen with 10% in molecular oxygen increase it by 48.93%, while ozone with 10% increase it by 70.25%.


Author(s):  
Olivier Mathieu ◽  
Eric L. Petersen ◽  
Alexander Heufer ◽  
Nicola Donohoe ◽  
Wayne Metcalfe ◽  
...  

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).


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