Dynamics of Hydrogen-Oxygen-Argon Cellular Detonations with a Constant Mean Mass Divergence

The present work revisits the problem of modelling the real gaseous detonation dynamics at the macro-scale by simple steady one-dimensional (1D) models. Experiments of detonations propagating in channels with exponentially expanding cross-sections (exponential horns) were conducted in the H2/O2/Ar reactive system. Steady detonation waves were obtained at the macro-scale, with cellular structures characterized by reactive transverse waves. For all the mixtures studied, the dependence of the mean detonation speed was found to be in excellent agreement with first principles predictions of quasi-1D detonation dynamics with lateral mass divergence predicted from detailed chemical kinetic models. This excellent agreement departs from the earlier experiments of Radulescu and Borzou (2018) in more unstable detonations. The excellent agreement is likely due to the much longer reaction zone lengths of diluted hydrogen oxygen detonations at low pressures, as compared with the characteristic induction zone lengths. While the cellular instability modifies the detonation structure induction zone, the detonation dynamics at the macro-scale are arguably controlled by its hydrodynamic thickness. Near the limit, minor discrepancy is observed, with the experimental detonations typically continuing to propagate to slightly higher lateral strain rates and higher velocity deficits

Dynamics of shock induced ignition in Fickett's model with chain-branching kinetics: influence of χ\chi

The problem of shock induced ignition by a piston is addressed in the framework of Fickett's model for reactive compressible flows, i.e., the reactive form of Burgers' equation. An induction-reaction two-step chain-branching model is used to study the coupling between the energy release and the compressible hydrodynamics occurring during the shock ignition transient leading to a detonation. Owing to the model's simplicity, the ignition and acceleration mechanism is explained using the two families of characteristics admitted by the model. The energy release along the particle paths provides the amplification of forward-travelling pressure waves. These waves pre-compress the medium in the induction layer ahead of the reaction zone, therefore changing the induction delays of successive particles. The variation of the induction delay provides the modulation of the amplification of the forward travelling pressure waves by controlling the residence time of the pressure waves in the reaction zone. A closed form analytical solution is obtained by the method of characteristics and high activation energy asymptotics. The acceleration of the reaction zone was found to be proportional to the product of the activation energy, the ratio of the induction to reaction time and the heat release. This finding provides a theoretical justification for the previous use of this non-dimensional number to characterize the ignition regimes observed experimentally in detonations and shock induced ignition phenomena. Numerical simulations are presented and analysed. Both subsonic and supersonic internal flame propagation regimes are observed, consistent with experiment and previous reactive Euler models.Comment: submitted to Proceedings of the Combustion Institut

Shock instability in dissipative gases

Previous experiments have revealed that shock waves in thermally relaxing gases, such as ionizing, dissociating and vibrationally excited gases, can become unstable. To date, the mechanism controlling this instability has not been resolved. Previous accounts of the D'yakov-Kontorovich instability, and Bethe-Zel'dovich-Thompson behaviour could not predict the experimentally observed instability. To address the mechanism controlling the instability, we study the propagation of shock waves in a simple two-dimensional dissipative hard disk molecular model. To account for the energy relaxation from translational degrees of freedom to higher modes within the shock wave structure, we allow inelastic collisions above an activation threshold. When the medium allows finite dissipation, we find that the shock waves are unstable and form distinctive high density non-uniformities and convective rolls on their surface. Using analytical and numerical results for the shock Hugoniot, we show that both DK and BZT instabilities can be ruled out. Instead, the results suggest that the clustering instability of Goldhirsch and Zanetti in dissipative gases is the dominant mechanism

Evolution and stability of shock waves in dissipative gases characterized by activated inelastic collisions

Previous experiments have revealed that shock waves driven through dissipative gases may become unstable, for example, in granular gases, and in molecular gases undergoing strong relaxation effects. The mechanisms controlling these instabilities are not well understood. We successfully isolated and investigated this instability in the canonical problem of piston driven shock waves propagating into a medium characterized by inelastic collision processes. We treat the standard model of granular gases, where particle collisions are taken as inelastic with constant coefficient of restitution. The inelasticity is activated for sufficiently strong collisions. Molecular dynamic simulations were performed for 30,000 particles. We find that all shock waves investigated become unstable, with density non-uniformities forming in the relaxation region. The wavelength of these fingers is found comparable to the characteristic relaxation thickness. Shock Hugoniot curves for both elastic and inelastic collisions were obtained analytically and numerically. Analysis of these curves indicate that the instability is not of the Bethe-Zeldovich-Thompson or Dyakov-Kontorovich types. Analysis of the shock relaxation rates and rates for clustering in a convected fluid element with the same thermodynamic history outruled the clustering instability of a homogeneous granular gas. Instead, wave reconstruction of the early transient evolution indicates that the onset of instability occurs during the re-pressurization of the gas following the initial relaxation of the medium behind the lead shock. This re-pressurization gives rise to internal pressure waves in the presence of strong density gradients. This indicates that the mechanism of instability is more likely of the vorticity-generating Richtmyer-Meshkov type, relying on the action of the inner pressure waves development during the transient relaxation

A nonlinear evolution equation for pulsating detonations using Fickett's model with chain branching kinetics

The detonation wave stability is addressed using Fickett's equation, i.e., the reactive form of Burgers' equation. This serves as a simple analogue to the reactive Euler equations, permitting one to gain insight into the nonlinear dynamics of detonation waves. Chemical kinetics were modeled using a two-step reaction with distinct induction and reaction zones. An evolution equation for the detonation structure was derived using the method of matched asymptotics for large activation energy and slow rate of energy release. While the first order solution was found unconditionally unstable, the second order evolution equation predicted both stable and unstable solutions. The neutral stability boundary was found analytically, given by $\chi=4$, where $\chi$ is the product of activation energy and the ratio of induction to reaction time. This reproduces accurately what has been previously established for the reactive Euler equations and verified experimentally. The evolution equation also captures stable limit cycle oscillations in the unstable regime and offers unique insight into the instability mechanism. The mechanism amplifying the perturbations lies within the induction zone, where the Arrhenius-type rate equation provides a large change in induction times for small perturbations. The mechanism attenuating the perturbations arises from acoustic effects, which delays the amplification of the shock front. The longer the detonation wave, the more time it takes for the amplification from the reaction zone to reach the shock front, creating gradients that counter-act the amplification from the flame acceleration. The results agree with direct numerical simulation, as well as recovering many similarities with the reactive Euler equation.Comment: Preprint submitted to proceedings of the 15th ID

Non-equilibrium effects on thermal ignition using hard sphere molecular dynamics simulations

The present study addresses the role of molecular non-equilibrium effects in thermal ignition problems. We consider a single binary reaction of the form A+B -> C+C. Molecular dynamics calculations were performed for activation energies ranging between RT and 7.5RT and heat release of 2.5RT and 10RT. The evolution of up to 10,000 particles was calculated as the system undergoes a thermal ignition at constant volume. Ensemble averages of 100 calculations for each parameter set permitted to determine the ignition delay, along with a measure of the stochasticity of the process. A well behaved convergence to large system sizes is also demonstrated. The ignition delay calculations were compared with those obtained at the continuum level using rates derived from kinetic theory: the standard rate assuming that the distribution of the speed of the particles is the Maxwell-Boltzmann distribution, and the perturbed rates by Prigogine and Xhrouet [1] for an isothermal system, and Prigogine and Mahieu [2] for an energy releasing reaction, obtained by the Chapman-Enskog perturbation procedure. The molecular results were found in very good agreement with the latter at low temperatures, confirming that non-equilibrium effects promote the formation of energetic particles, that serve as seeds for subsequent reaction events: i.e., hot spots. This effect was found to lower the ignition delay by up to 30%. At high temperatures, the ignition delay obtained from the standard equilibrium rate was found to be up to 60% longer than the molecular calculations. This effect is due to the rapidity of the reactive collisions that do not allow the system to equilibrate. For this regime, none of the perturbation solutions obtained by the Chapman-Enskog procedure were valid. This study thus shows the importance of non-equilibrium effects in thermal ignition problems, for most temperatures of practical interest.Comment: 18 pages, 11 figure

Viscous solution of the triple shock reflection problem

The reflection of a triple-shock configuration was studied numerically in two dimensions using the Navier-Stokes equations. The flow field was initialized using three shock theory, and the reflection of the triple point on a plane of symmetry was studied. The conditions simulated a stoichiometric methane-oxygen detonation cell at low pressure on time scales preceding ignition, when the gas was assumed to be inert. Viscosity was found to play an important role on some shock reflection mechanisms believed to accelerate reaction rates in detonations when time scales are small. A small wall jet was present in the double Mach reflection and increased in size with Reynolds number, eventually forming a small vortex. Kelvin-Helmholtz instabilities were absent and there was no Mach stem bifurcation at Reynolds numbers corresponding to when the Mach stem had travelled distances on the scale of the induction length. Kelvin-Helmholtz instabilities are found to not likely be a source of rapid reactions in detonations at time scales commensurate with the ignition delay behind the Mach stem

Non-uniqueness of solutions in asymptotically self-similar shock reflections

The present study addresses the self-similar problem of unsteady shock reflection on an inclined wedge. The start-up conditions are studied by modifying the wedge corner and allowing for a finite radius of curvature. It is found that the type of shock reflection observed far from the corner, namely regular or Mach reflection, depends intimately on the start-up condition, as the flow "remembers" how it was started. Substantial differences were found. For example, the type of shock reflection for an incident shock Mach number $M=6.6$ and an isentropic exponent $\gamma =1.2$ changes from regular to Mach reflection between $44^\circ$ and $45^\circ$ when a straight wedge tip is used, while the transition for an initially curved wedge occurs between $57^\circ$ and $58^\circ$

Multiplicity of detonation regimes in systems with a multi-peaked thermicity

The study investigates detonations with multiple quasi-steady velocities that have been observed in the past in systems with multi-peaked thermicity, using Fickett's detonation analogue. A steady state analysis of the travelling wave predicts multiple states, however, all but the one with the highest velocity develop a singularity after the sonic point. Simulations show singularities are associated with a shock wave which overtakes all sonic points, establishing a detonation travelling at the highest of the predicted velocities. Under a certain parameter range, the steady-state detonation can have multiple sonic points and solutions. Embedded shocks can exist behind sonic points, where they link the weak and strong solutions. Sonic points whose characteristics do not diverge are found to be unstable, and to be the source of the embedded shocks. Numerical simulations show that these shocks are only quasi-stable. This is believed to be due in part to a feature of the model which permits shocks anywhere behind a sonic point

Chapman-Jouguet deflagrations and their transition to detonation

We study experimentally fast flames and their transition to detonation in mixtures of methane, ethane, ethylene, acetylene, and propane mixtures with oxygen. Following the interaction of a detonation wave with a column of cylinders of varying blockage ratio, the experiments demonstrate that the fast flames established are Chapman-Jouguet deflagrations, in excellent agreement with the self-similar model of Radulescu et al. (2015). The experiments indicate that these Chapman-Jouguet deflagrations dynamically restructure and amplify into fewer stronger modes until the eventual transition to detonation. The transition length to a self-sustained detonation was found to correlate very well with the mixtures' sensitivity to temperature fluctuations, reflected by the $\chi$ parameter introduced by Radulescu, which is the product of the non-dimensional activation energy $E_a/RT$ and the ratio of chemical induction to reaction time $t_i/t_r$. Correlation of the measured DDT lengths determined that the relevant characteristic time scale from chemical kinetics controlling DDT is the energy release or excitation time $t_r$. Correlations with the cell size also capture the dependence of the DDT length on $\chi$ for fixed blockage ratios.Comment: 11 figures and 4 videos, manuscript submitted to the Proceedings of the Combustion Institute to be presented at the the International Combustion Symposium in Seoul, 201