scholarly journals An Experimental Kinetics Study of Isopropanol Pyrolysis and Oxidation behind Reflected Shock Waves

Energies ◽  
2021 ◽  
Vol 14 (20) ◽  
pp. 6808
Author(s):  
Sean P. Cooper ◽  
Claire M. Grégoire ◽  
Darryl J. Mohr ◽  
Olivier Mathieu ◽  
Sulaiman A. Alturaifi ◽  
...  

Isopropanol has potential as a future bio-derived fuel and is a promising substitute for ethanol in gasoline blends. Even so, little has been done in terms of high-temperature chemical kinetic speciation studies of this molecule. To this end, experiments were conducted in a shock tube using simultaneous CO and H2O laser absorption measurements. Water and CO formation during isopropanol pyrolysis was also examined at temperatures between 1127 and 2162 K at an average pressure of 1.42 atm. Species profiles were collected at temperatures between 1332 and 1728 K and at an average pressure of 1.26 atm for equivalence ratios of 0.5, 1.0, and 2.0 in highly diluted mixtures of 20% helium and 79.5% argon. Species profiles were also compared to four modern C3 alcohol mechanisms, including the impact of recent rate constant measurements. The Li et al. (2019) and Saggese et al. (2021) models both best predict CO and water production under pyrolysis conditions, while the AramcoMech 3.0 and Capriolo and Konnov models better predict the oxidation experimental profiles. Additionally, previous studies have collected ignition delay time (τign) data for isopropanol but are limited to low pressures in highly dilute mixtures. Therefore, real fuel–air experiments were conducted in a heated shock tube with isopropanol for stoichiometric and lean conditions at 10 and 25 atm between 942 and 1428 K. Comparisons to previous experimental results highlight the need for real fuel–air experiments and proper interpretation of shock-tube data. The AramcoMech 3.0 model over predicts τign values, while the Li et al. model severely under predicts τign. The models by Capriolo and Konnov and Saggese et al. show good agreement with experimental τign values. A sensitivity analysis using these two models highlights the underlying chemistry for isopropanol combustion at 25 atm. Additionally, modifying the Li et al. model with a recently measured reaction rate shows improvement in the model’s ability to predict CO and water profiles during dilute oxidation. Finally, a regression analysis was performed to quantify τign results from this study.

Author(s):  
Sean P. Cooper ◽  
Clayton R. Mulvihill ◽  
Olivier Mathieu ◽  
Eric L. Petersen ◽  
Mark W. Crofton ◽  
...  

Abstract Recent work by the authors and others has uncovered the need for further chemical kinetic-related modeling and experiments, specifically for NOx kinetics at engine conditions. In particular, data on CH formation at realistic combustion conditions are needed for further refinement of the prompt-NOx kinetics. To this end, a series of shock-tube experiments to obtain CH concentration time histories at elevated temperatures was performed behind reflected shock waves at The Aerospace Corporation using a tuneable laser. This Ti-Sapphire laser was operated in the near infrared at about 854 nm; blue light at 426.9 nm was obtained using an external, frequency-doubling crystal. The resulting light was used in a differential absorption setup with common-mode rejection to measure CH time histories. New measurements in CH4-C2H6-O2 mixtures highly diluted in argon were performed at temperatures between 1890 K and 2719 K. These new data are compared to several modern, detailed chemical kinetics mechanisms with updated NOx submechanisms. Sensitivity and rate of production analyses at the shock-tube conditions along with a gas turbine model are used to elucidate the current state of affairs in CH prediction by the literature models and its effect on NOx production, particularly through the prompt mechanism. A brief discussion of the chemical kinetics for an important reaction in the production of CH is also presented to emphasize the need for further study and refinement of reactions leading to CH production.


2014 ◽  
Vol 32 (3) ◽  
pp. 343-351 ◽  
Author(s):  
Ting Si ◽  
Zhigang Zhai ◽  
Xisheng Luo

AbstractThe interaction of a cylindrical converging shock wave with an initially perturbed gaseous interface is studied experimentally. The cylindrical converging shock is generated in an ordinary shock tube but with a specially designed test section, in which the incident planar shock wave is directly converted into a cylindrical one. Two kinds of typical initial interfaces involving gas bubble and gas cylinder are employed. A high-speed video camera combined with schlieren or planar Mie scattering photography is utilized to capture the evolution process of flow structures. The distribution of baroclinic vorticity on the interface induced by the cylindrical shock and the reflected shock from the center of convergence results in distinct phenomena. In the gas bubble case, the shock focusing and the jet formation are observed and the turbulent mixing of two fluids is promoted because of the gradually changed shock strength and complex shock structures in the converging part. In the gas cylinder case, a counter-rotating vortex pair is formed after the impact of the converging shock and its rotating direction may be changed when interacting with the reflected shock for a relatively long reflection distance. The variations of the interface displacements and structural dimensions with time are further measured. It is found that these quantities are different from those in the planar counterpart because of the shock curvature, the Mach number effect and the complex shock reflection within the converging shock tube test section. Therefore, the experiments reported here exhibit the great potential of this experimental method in study of the Richtmyer-Meshkov instability induced by converging shock waves.


2020 ◽  
Vol 234 (7-9) ◽  
pp. 1395-1426 ◽  
Author(s):  
Paul Sela ◽  
Sebastian Peukert ◽  
Jürgen Herzler ◽  
Christof Schulz ◽  
Mustapha Fikri

AbstractShock-tube experiments have been performed to investigate the thermal decomposition of octamethylcyclotetrasiloxane (D4, Si4O4C8H24) and hexamethylcyclotrisiloxane (D3, Si3O3C6H18) behind reflected shock waves by gas chromatography/mass spectrometry (GC/MS) and high-repetition-rate time-of-flight mass spectrometry (HRR-TOF-MS) in a temperature range of 1160–1600 K and a pressure range of 1.3–2.6 bar. The main observed stable products were methane (CH4), ethylene (C2H4), ethane (C2H6), acetylene (C2H2) and in the case of D4 pyrolysis, also D3 was measured as a product in high concentration. A kinetics sub-mechanism accounting for the D4 and D3 gas-phase chemistry was devised, which consists of 19 reactions and 15 Si-containing species. The D4/D3 submechanism was combined with the AramcoMech 2.0 (Li et al., Proc. Combust. Inst. 2017, 36, 403–411) to describe hydrocarbon chemistry. The unimolecular rate coefficients for D4 and D3 decomposition are represented by the Arrhenius expressions ktotal/D4(T) = 2.87 × 1013 exp(−273.2 kJ mol−1/RT) s−1 and ktotal/D3(T) = 9.19 × 1014 exp(−332.0 kJ mol−1/RT) s−1, respectively.


2020 ◽  
Author(s):  
Ramees Rahman ◽  
Sneha Neupane ◽  
Jessica Baker ◽  
Erik M. Ninnemann ◽  
Farhan Arafin ◽  
...  

2021 ◽  
Author(s):  
Ghazanfar Mehdi ◽  
Maria Grazia De Giorgi ◽  
Donato Fontanarosa ◽  
Sara Bonuso ◽  
Antonio Ficarella

Abstract This study focused on the comparative analysis about the production of ozone and active radicals in presence of nanopulsed plasma discharge on air and on fuel/air mixture to investigate its effect on combustion enhancement. This analysis is based on numerical modeling of air and methane/air plasma discharge with different repetition rates (100 Hz, 1000 Hz and 10000 Hz). To this purpose, a two-step approach has been proposed based on two different chemistry solvers: a 0-D plasma chemistry solver (ZDPlasKin toolbox) and a combustion chemistry solver (CHEMKIN software suite). Consequently, a comprehensive chemical kinetic scheme was generated including both plasma excitation reactions and gas phase reactions. Validation of air and methane/air mechanisms was performed with experimental data. Kinetic models of both air and methane/air provides good fitting with experimental data of O atom generation and decay process. ZDPlasKin results were introduced in CHEMKIN in order to analyze combustion enhancement. It was found that the concentrations of O3 and O atom in air are higher than the methane/air activation. However, during the air activation peak concentration of ozone was significantly increased with repetition rates and maximum was observed at 10000 Hz. Furthermore, ignition timings and flammability limits were also improved with air and methane/air activation but the impact of methane/air activation was comparatively higher.


2022 ◽  
Vol 238 ◽  
pp. 111962
Author(s):  
S.E. Johnson ◽  
Y. Ding ◽  
D.F. Davidson ◽  
R.K. Hanson

2021 ◽  
Author(s):  
Harmanjit Singh Chopra

A gasdynamic mechanism has been identified as a potential source of combustion instability in solid-propellant rocket motors (SRMs). This mechanism involves the reinforcement of a reflected shock wave in the nozzle convergence region of an SRM's exhaust nozzle. A shock tube apparatus was developed for the experimental component of this study. Various factors, such as the effect of different nozzle geometries and driven channel pressures, were examined. Also, a model of the shock tube was developed for computational fluid dynamics (CFD) simulations. These simulations were generated for comparison with the experimental results and to provide additional information regarding the nature of the flow behaviour. A gasdynamic mechanism has been identified as a potential source of combustion instability in solid-propellant rocket motors (SRMs). This mechanism involves the reinforcement of a reflected shock wave in the nozzle convergence region of an SRM's exhaust nozzle.A shock tube apparatus was developed for the experimental component of this study. Various factors, such as the effect of different nozzle geometries and driven channel pressures, were examined. Also, a model of the shock tube was developed for computational fluid dynamics (CFD) simulations. These simulations were generated for comparison with the experimental results and to provide additional information regarding the nature of the flow behaviour.Experimental and numerical pressure-time profiles confirm the appearance of transient radial wave activity following the initial incidence of the normal shock wave on the convergence region of the nozzle. The results establish that the strength of this activity is markedly dependent upon the nozzle convergence wall angle and the location within the shock tube


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