Detailed Chemical Mechanism Generation for Combustion of Ethanol-Air Mixture

2019 ◽  
Author(s):  
Shrabanti Roy ◽  
Fatemeh Hadi ◽  
Omid Askari

Abstract Significance of ethanol as an alternative source of renewable energy is increasing every day. In this study a chemical mechanism has been developed to predict the characteristic of ethanol oxidation in a wide range of temperature and pressure of 300–2500 K and 1–50 atm, respectively. The mechanism is generated using reaction mechanism generator (RMG). Sensitivity analysis on the mechanism is done to find the reactions responsible in the deviation of numerical results with experimental data. Rate coefficient of important reactions is corrected with well-accepted data from literature which helps to improve the mechanism against experiment. The validation is done with laminar burning speed and ignition delay time results at various operating conditions. The results show a reasonable agreement in both high pressure and low temperature cases. A good prediction of major species concentration is found in flame structure measurement. A comparison of the current mechanism with other available chemical mechanisms is also presented at different operating conditions. Compared to other mechanisms, this improved mechanism has an advantage of handling the high pressure and low temperature operating conditions within a reasonable time and accuracy.

2016 ◽  
Vol 139 (2) ◽  
Author(s):  
Guangying Yu ◽  
Omid Askari ◽  
Fatemeh Hadi ◽  
Ziyu Wang ◽  
Hameed Metghalchi ◽  
...  

Gas-to-liquid (GTL), an alternative synthetic jet fuel derived from natural gas through Fischer–Tropsch (F–T) process, has gained significant attention due to its cleaner combustion characteristics when compared to conventional counterparts. The effect of chemical composition on key performance aspects such as ignition delay, laminar burning speed, and emission characteristics has been experimentally studied. However, the development of chemical mechanism to predict those parameters for GTL fuel is still in its early stage. The GTL aviation fuel from Syntroleum Corporation, S-8, is used in this study. For theoretical predictions, a mixture of 32% iso-octane, 25% n-decane, and 43% n-dodecane by volume is considered as the surrogate for S-8 fuel. In this work, a detailed kinetics model (DKM) has been developed based on the chemical mechanisms reported for the GTL fuel. The DKM is employed in a constant internal energy and constant volume reactor to predict the ignition delay times for GTL over a wide range of temperatures, pressures, and equivalence ratios. The ignition delay times predicted using DKM are validated with those reported in the literature. Furthermore, the steady one-dimensional premixed flame code from CANTERA is used in conjunction with the chemical mechanisms to predict the laminar burning speeds for GTL fuel over a wide range of operating conditions. Comparison of ignition delay and laminar burning speed shows that the Ranzi et al. mechanism has a better agreement with the available experimental data, and therefore is used for further evaluation in this study.


2009 ◽  
Vol 131 (3) ◽  
Author(s):  
Philip L. Andrew ◽  
Harika S. Kahveci

Avoiding aerodynamic separation and excessive shock losses in gas turbine turbomachinery components can reduce fuel usage and thus reduce operating cost. In order to achieve this, blading designs should be made robust to a wide range of operating conditions. Consequently, a design tool is needed—one that can be executed quickly for each of many operating conditions and on each of several design sections, which will accurately capture loss, turning, and loading. This paper presents the validation of a boundary layer code, MISES, versus experimental data from a 2D linear cascade approximating the performance of a moderately loaded mid-pitch section from a modern aircraft high-pressure turbine. The validation versus measured loading, turning, and total pressure loss is presented for a range of exit Mach numbers from ≈0.5 to 1.2 and across a range of incidence from −10 deg to +14.5 deg relative to design incidence.


2021 ◽  
Vol 7 ◽  
Author(s):  
Nick J. Killingsworth ◽  
Tuan M. Nguyen ◽  
Carter Brown ◽  
Goutham Kukkadapu ◽  
Julien Manin

We performed Computational Fluid Dynamics (CFD) simulations using a Reynolds-Averaged Navier-Stokes (RANS) turbulence model of high-pressure spray pyrolysis with a detailed chemical kinetic mechanism encompassing pyrolysis of n-dodecane and formation of polycyclic aromatic hydrocarbons. We compare the results using the detailed mechanism and those found using several different reduced chemical mechanisms to experiments carried out in an optically accessible, high-pressure, constant-volume combustion chamber. Three different soot models implemented in the CONVERGE CFD software are used: an empirical soot model, a method of moments, and a discrete sectional method. There is a large variation in the prediction of the soot between different combinations of chemical mechanisms and soot model. Furthermore, the amount of soot produced from all models is substantially less than experimental measurements. All of this indicates that there is still substantial work that needs to be done to arrive at simulations that can be relied on to accurately predict soot formation.


Author(s):  
Juri Bellucci ◽  
Filippo Rubechini ◽  
Andrea Arnone ◽  
Lorenzo Arcangeli ◽  
Nicola Maceli ◽  
...  

In this paper a multi-objective, aerodynamic optimization of a high-pressure steam turbine stage is presented. The overall optimization strategy relies on a neural-network-based approach, aimed at maximizing the stage’s efficiency, while at the same time increasing the stage loading. The stage under investigation is composed of prismatic blades, usually employed in a repeating stage environment and in a wide range of operating conditions. For this reason, two different optimizations are carried out, at high and low flow coefficients. The optimized geometries are chosen taking into account aerodynamic constraints, such as limitation of the pressure recovery in the uncovered part of the suction side, as well as mechanical constraints, such as root tensile stress and dynamic behavior. As a result, an optimum airfoil is selected and its performance are characterized over the whole range of operating conditions. Parallel to the numerical activity, both optimized and original geometries are tested in a linear cascade, and experimental results are available for comparison purposes in terms of loading distributions and loss coefficients. Comparisons between measurements and calculations are presented and discussed for a number of incidence angles and expansion ratios.


Author(s):  
Timo Buschhagen ◽  
Rohan Gejji ◽  
John Philo ◽  
Lucky Tran ◽  
J. Enrique Portillo Bilbao ◽  
...  

An experimental investigation of self-excited combustion instabilities in a high pressure, single-element, lean, premixed, natural gas dump-combustor is presented in this paper. The combustor is designed for optical access and is instrumented with high frequency pressure transducers at multiple axial locations. A parametric survey of operating conditions including inlet air temperature and equivalence ratio has been performed, which presents a wide range of peak to peak pressure fluctuations (p′) of the mean chamber pressure (pc). Two cases, Flame A and B with p′ /pc = 28% and p′/pc = 15% respectively, both presenting self-excited instabilities at the fundamental longitudinal (1L) mode of the combustion chamber, are discussed to study the coupling mechanism between flame-vortex interactions and the acoustic field in the chamber. OH*-chemiluminescence is used to obtain a map of global heat release distribution in the combustor. Phase conditioned analysis and Dynamic Mode Decomposition (DMD) analysis is performed, to highlight the contrasting mechanisms that lead to the two distinct instability regimes. Flame interactions with shear layer vortex structures just downstream of the dump plane during the compression phase of the acoustic cycle are found to augment the instability amplitude. Flame A engages strongly in this coupling, whereas Flame B is less affected and establishes a lower amplitude limit cycle.


1984 ◽  
Vol 39 (6) ◽  
pp. 739-743 ◽  
Author(s):  
Claus Friebel ◽  
Martin Jansen

AbstractDiffuse reflectance spectra of Ag2SO4, Ag3PO4, Ag2CO3, Ag2Ge2O5, AgBO2, Ag3BO3-II, Ag6Si2O7, Ag10Si4O13 and Ag10Ge4O13 in the region ν̄ = 10000-40000 cm-1 and generally at 298 K and ambient pressure were measured. Additional spectra were recorded at 5 K for Ag3BO3 and Ag3PO4, and under application of a static pressure of 80 kbar for Ag10Si4O13. As a common feature all spectra show a steep absorption edge, which is only structured in singular cases. The edges appear in the remarkably wide range from 33100 cm-1 (Ag2SO4) to 13500 cm-1 (Ag10Ge4O13). As the shifts correlate with the dimensions of the cluster-like silver partial structures, the absorptions have been attributed to 4d→5s band-band transitions, an interpretation, which is in agreement with the low temperature and high pressure spectra. However, effects originating from charge-transfer transitions cannot be absolutely excluded.


Author(s):  
ASHISH KUMAR ◽  
pandi divya ◽  
Wen-Hsi lee ◽  
Y.L. Wang

Abstract High pressure annealing technique at 6 atm over a wide range of temperature (200-450˚C) was introduced as post metal annealing on high-k/metal gate metal-oxide-semiconductor capacitor. To verify the ability of HPA in improving interface trap density, leakage issue the other MOS capacitor with same structure was annealed by MWA for comparison. The electrical performance of the capacitors under different etching mechanism was analyzed and the difference in characteristics such as flat-band voltage shift, oxide trapped charge, interface state density and leakage current were compared. The results show that high pressure annealing process is more effective to minimize the oxide trapped charged at low temperature than by high power MWA at 3000W, and the reduction in leakage current density after high pressure anneal at low temperature corresponds to the reduction in charge traps. High pressure annealing demonstrates great potential as the post-metallization annealing process for the high-k/metal gate structure .


Author(s):  
Timo Buschhagen ◽  
Rohan Gejji ◽  
John Philo ◽  
Lucky Tran ◽  
J. Enrique Portillo Bilbao ◽  
...  

Self-excited combustion instabilities in a high pressure, single-element, lean, premixed, natural gas (NG) dump-combustor are investigated. The combustor is designed for optical access and instrumented with high frequency pressure transducers at multiple axial locations. A parametric survey of operating conditions including inlet air temperature and equivalence ratio has been performed, resulting in a wide range of pressure fluctuation amplitudes (p′) of the mean chamber pressure (pCH). Two representative cases, flames A and B with p′/pCH=23% and p′/pCH=12%, respectively, both presenting self-excited instabilities at the fundamental longitudinal (1L) mode of the combustion chamber, are discussed to study the coupling mechanism between flame-vortex interactions and the acoustic field in the chamber. 10 kHz OH*-chemiluminescence imaging was performed to obtain a map of the global heat release distribution. Phase conditioned and Rayleigh index analysis as well as dynamic mode decomposition (DMD) is performed to highlight the contrasting mechanisms that lead to the two distinct instability regimes. Flame interactions with shear layer vortex structures downstream of the backward-facing step of the combustion chamber are found to augment the instability magnitude. Flame A engages strongly in this coupling, whereas flame B is less affected and establishes a lower amplitude limit cycle.


2014 ◽  
Vol 18 (4) ◽  
pp. 1373-1387 ◽  
Author(s):  
Prasad Mishra ◽  
Renganathan Sudharshan ◽  
Kumar Ezhil

The interactions between flame and vortex in a 2-D Trapped Vortex Combustor are investigated by simulating the Reynolds Averaged Navier Stokes (RANS) equations, for the following five cases namely (i) non-reacting (base) case, (ii) post-vortex ignition without premixing, (iii) post-vortex ignition with premixing, (iv) pre-vortex ignition without premixing and (v) pre-vortex ignition with premixing. For the post-vortex ignition without premixing case, the reactants are mixed well in the cavity resulting in a stable ?C? shaped flame along the vortex edge. Further, there is insignificant change in the vorticity due to chemical reactions. In contrast, for the pre-vortex ignition case (no premixing); the flame gets stabilized at the interface of two counter rotating vortices resulting in reduced reaction rates. There is a noticeable change in the location and size of the primary vortex as compared to case (ii). When the mainstream air is premixed with fuel, there is a further reduction in the reaction rates and thus structure of cavity flame gets altered significantly for case (v). Pilot flame established for cases (ii) and (iii) are well shielded from main flow and hence the flame structure and reaction rates do not change appreciably. Hence, it is expected that cases (ii) and (iii) can perform well over a wide range of operating conditions.


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