High speed turbulent reacting flows: DNS and LES

Work on understanding the mechanisms of mixing and reaction in high speed turbulent reacting flows was continued. Efforts, in particular, were concentrated on taking advantage of modern computational methods to simulate high speed turbulent flows. In doing so, two methodologies were used: large eddy simulations (LES) and direct numerical simulations (DNS). In the work related with LES the objective is to study the behavior of the probability density functions (pdfs) of scalar properties within the subgrid in reacting turbulent flows. The data base obtained by DNS for a detailed study of the pdf characteristics within the subgrid was used. Simulations are performed for flows under various initializations to include the effects of compressibility on mixing and chemical reactions. In the work related with DNS, a two-dimensional temporally developing high speed mixing layer under the influence of a second-order non-equilibrium chemical reaction of the type A + B yields products + heat was considered. Simulations were performed with different magnitudes of the convective Mach numbers and with different chemical kinetic parameters for the purpose of examining the isolated effects of the compressibility and the heat released by the chemical reactions on the structure of the layer. A full compressible code was developed and utilized, so that the coupling between mixing and chemical reactions is captured in a realistic manner

On the coalescence-dispersion modeling of turbulent molecular mixing

The general coalescence-dispersion (C/D) closure provides phenomenological modeling of turbulent molecular mixing. The models of Curl and Dopazo and O'Brien appear as two limiting C/D models that bracket the range of results one can obtain by various models. This finding is used to investigate the sensitivtiy of the results to the choice of the model. Inert scalar mixing is found to be less model-sensitive than mixing accompanied by chemical reaction. Infinitely fast chemistry approximation is used to relate the C/D approach to Toor's earlier results. Pure mixing and infinite rate chemistry calculations are compared to study further a recent result of Hsieh and O'Brien who found that higher concentration moments are not sensitive to chemistry

Vortex-scalar element calculations of a diffusion flame stabilized on a plane mixing layer

The vortex-scalar element method, a scheme which utilizes vortex elements to discretize the region of high vorticity and scalar elements to represent species or temperature fields, is utilized in the numerical simulations of a two-dimensional reacting mixing layer. Computations are performed for a diffusion flame at high Reynolds and Peclet numbers without resorting to turbulence models. In the nonreacting flow, the mean and fluctuation profiles of a conserved scalar show good agreement with experimental measurements. Results for the reacting flow indicate that for temperature independent kinetics, the chemical reaction begins immediately downstream of the splitter plate where mixing starts. Results for the reacting flow with Arrhenius kinetics show an ignition delay, which depends on reactant temperature, before significant chemical reaction occurs. Harmonic forcing changes the structure of the layer, and concomitantly the rates of mixing and reaction, in accordance with experimental results. Strong stretch within the braids in the nonequilibrium kinetics case causes local flame quenching due to the temperature drop associated with the large convective fluxes

LES, DNS and RANS for the analysis of high-speed turbulent reacting flows

The objective of this research is to continue our efforts in advancing the state of knowledge in Large Eddy Simulation (LES), Direct Numerical Simulation (DNS), and Reynolds Averaged Navier Stokes (RANS) methods for the analysis of high-speed reacting turbulent flows. In the first phase of this research, conducted within the past six months, focus was in three directions: RANS of turbulent reacting flows by Probability Density Function (PDF) methods, RANS of non-reacting turbulent flows by advanced turbulence closures, and LES of mixing dominated reacting flows by a dynamics subgrid closure. A summary of our efforts within the past six months of this research is provided in this semi-annual progress report

Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

This research is involved with the implementations of advanced computational schemes based on large eddy simulations (LES) and direct numerical simulations (DNS) to study the phenomenon of mixing and its coupling with chemical reactions in compressible turbulent flows. In the efforts related to LES, a research program was initiated to extend the present capabilities of this method for the treatment of chemically reacting flows, whereas in the DNS efforts, focus was on detailed investigations of the effects of compressibility, heat release, and nonequilibrium kinetics modeling in high speed reacting flows. The efforts to date were primarily focussed on simulations of simple flows, namely, homogeneous compressible flows and temporally developing hign speed mixing layers. A summary of the accomplishments is provided

Large Eddy Simulations (LES) and Direct Numerical Simulations (DNS) for the computational analyses of high speed reacting flows

The principal objective is to extend the boundaries within which large eddy simulations (LES) and direct numerical simulations (DNS) can be applied in computational analyses of high speed reacting flows. A summary of work accomplished during the last six months is presented

Turbulent mixing simulation via a quantum algorithm

Probability density function (PDF) methods have been very useful in describing many physical aspects of turbulent mixing. In applications of these methods, modeled PDF transport equations are commonly simulated via classical Monte Carlo techniques, which provide estimates of moments of the PDF at arbitrary accuracy. In this work, recently developed techniques in quantum computing and quantum enhanced measurements (quantum metrology) are used to construct a quantum algorithm that accelerates the computation of such estimates. This quantum algorithm provides a quadratic speedup over classical Monte Carlo methods in terms of the number of repetitions needed to achieve the desired precision. This paper illustrates the power of this algorithm by considering a binary scalar mixing process modeled by means of the coalescence/dispersion (C/D) closure. The equation is first simulated using classical Monte Carlo methods, where error estimates for the computation of central moments are provided. Then the quantum algorithm for this problem is simulated by sampling from the same probability distribution as that of the output of a quantum computer, and it is shown that significantly fewer resources are required to achieve the same precision. The results demonstrate potential applications of future quantum computers for simulation of turbulent mixing, and large classes of related problems

Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

This research is involved with the implementation of advanced computational schemes based on large eddy simulations (LES) and direct numerical simulations (DNS) to study the phenomenon of mixing and its coupling with chemical reactions in compressible turbulent flows. In the efforts related to LES, a research program to extend the present capabilities of this method was initiated for the treatment of chemically reacting flows. In the DNS efforts, the focus is on detailed investigations of the effects of compressibility, heat release, and non-equilibrium kinetics modelings in high speed reacting flows. Emphasis was on the simulations of simple flows, namely homogeneous compressible flows, and temporally developing high speed mixing layers

Quantum algorithm for the computation of the reactant conversion rate in homogeneous turbulence

The rapid developments that have occurred in quantum computing platforms over the past few years raise important questions about the potential for applications of this new type of technology to fluid dynamics and combustion problems, and the timescales on which such applications might be possible. As a concrete example, here a quantum algorithm is developed and employed for predicting the rate of reactant conversion in the binary reaction of F + rO → (1 + r) in non-premixed homogeneous turbulence. These relations are obtained by means of a transported probability density function equation. The quantum algorithm is developed to solve this equation and is shown to yield the rate of the reactants' conversion much more efficiently than current classical methods, achieving a quadratic quantum speedup, in line with expectations for speedups arising from quantum metrology techniques more broadly. This provides an important example of a quantum algorithm with a real engineering application, which can build a connection to present work in turbulent combustion modelling and form the basis for further development of quantum computing platforms and their applications to fluid dynamics