28 research outputs found

    Vida Verde. Barcelona

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    International audienceWe demonstrate, on a scramjet combustion problem, a constrained probabilistic learning approach that augments physics-based datasets with realizations that adhere to underlying constraints and scatter. The constraints are captured and delineated through diffusion maps, while the scatter is captured and sampled through a projected stochastic differential equation. The objective function and constraints of the optimization problem are then efficiently framed as non-parametric conditional expectations. Different spatial resolutions of a large-eddy simulation filter are used to explore the robustness of the model to the training dataset and to gain insight into the significance of spatial resolution on optimal design

    CSP Analysis of a Transient Flame/Vortex Interaction: Time Scales an Manifolds

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    The interaction of a two-dimensional counter-rotating vortex-pair with a premixed methane-air flame is analyzed with the Computational Singular Perturbation (CSP) method. It is shown that, as the fastest chemical time scales become exhausted, the solution is attracted towards a manifold, whose dimension decreases as the number of exhausted time scales increases. A necessary condition for a chemical time scale to become exhausted is that it must be much faster than the locally prevailing diffusion and convection time scales. Downstream of the flame, the hot products are in a regime of near-equilibrium, characterized by a large number of exhausted fast chemical time scales and the development of a low dimensional manifold, where the dynamics are locally controlled by slow transport processes and slow kinetics. In the flame region, where intense chemical and transport activity takes place, the number of exhausted chemical time scales is relatively small. The manifold has a large dimension and the driving time scale is set by chemical kinetics. In the cold flow region, where mostly reactants are present, the flow regime can be described as frozen, as the active chemical time scales are much slower than the diffusion and convection time scales; the driving scale set by diffusion. The algebraic relations among the elementary rates, which describe the manifold, are discussed along with a classification of the unknowns in three classes: i) CSP radicals; ii) trace; and, iii) major species. It is established that the optimal CSP radicals must be: i) strongly affected by the exhausted fast chemical time scales; and, ii) significant participants in the algebraic relations describing the manifold. The identification of CSP radicals, trace and major species, is a prerequisite for simplification or reduction of chemical kinetic mechanisms

    The spectral characterisation of reduced order models in chemical kinetic systems

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    The size and complexity of multi-scale problems such as those arising in chemicalkinetics mechanisms has stimulated the search for methods that reduce the numberof species and chemical reactions but retain a desired degree of accuracy. The time-scale characterisation of the multi-scale problem can be carried out on the basis oflocal information such as the Jacobian matrix of the model problem and its relatedeigen-system evaluated at one pointPof the system trajectory. While the originalproblem is usually described by ordinary differential equations (ODEs), the reducedorder model is described by a reduced number of ODEs and a number of algebraicequations (AEs), that might express one or more physical conservation laws (mass,momentum, energy), or the fact that the long-term dynamics evolves within a so-calledSlow Invariant Manifold (SIM). To fully exploit the benefits offered by a reduced ordermodel, it is required that the time scale characterisation of then-dimensional reducedorder model returns an answer consistent and coherent with the time-scale characteri-sation of theN-dimensional original model. This manuscript discusses a procedure forobtaining the time-scale characterisation of the reduced order model in a manner thatis consistent with that of the original problem. While a standard time scale characteri-sation of the (original)N-dimensional original model can be carried out by evaluatingthe eigen-system of the (N×N) Jacobian matrix of the vector field that defines thesystem dynamics, the time-scale characterisation of then-dimensional reduced ordermodel (withn<N) can be carried out by evaluating the eigen-system of a (n×n)con-strainedJacobian matrix,JC, of the reduced vector field that accounts for the role ofthe constraints.info:eu-repo/semantics/publishe

    A CSP-Based Skeletal Mechanism Generation Procedure: Auto-Ignition and Premixed Laminar flames in n-Heptane/Air Mixtures

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    We use a procedure based on the decomposition into fast and slow dynamical components offered by the Computational Singular Perturbation (CSP) method to generate automatically skeletal kinetic mechanisms for the simplification of the kinetics of n-heptane oxidation. The detailed mechanism of the n-heptane oxidation here considered has been proposed by Curran et al. [H.J. Curran, P. Gaffuri, W.J. Pitz, and C.K. Westbrook, n-Heptane, detailed mechanism, Version 2, www-cms.llnl.gov/combustion/combustion2.html, 2002] and involves 561 species and 2538 reactions. This work achieved three main goals. First, we carried out a thorough error analysis aimed at verifying which of the two algorithmic options involving or not the scaling of the CSP indices is the most suited for achieving accurate skeletal mechanisms. The comparative analysis showed that although both options produce valid mechanisms, scaling the indices seems to offer a smoother dependence of the accuracy with respect to the number of species retained in the mechanism, and for this reason seems to be the most preferable. Second, by using the scaled index option, we generated two series of accurate skeletal mechanisms for n-heptane oxidation, one series valid for both a wide range of initial temperatures and equivalence ratios, and the other only for the high temperatures regime (and for different equivalence ratios). Finally, we verified that it is possible to use skeletal mechanisms generated with respect to auto-ignition phenomena for computing premixed laminar flames with high accuracy, especially with respect to macroscopic parameters such as laminar flame speed, equilibrium temperature, and velocity, temperature and major species fields across the flame. This test showed that for a premixed laminar flame it is not essential to include the low temperature kinetics of n-heptane. This allowed us to obtain a satisfactory approximation of the flame structure with a rather small mechanism, which includes only 66 species out of the original 561. These findings empirically demonstrate that the reduction can be performed in a simple configuration, like the homogeneous auto-ignition considered in this paper and the resulting reduced mechanism applied successfully to a more complex configuration such as a premixed or counterflow flame, or, even, a fully multidimensional CFD reactive flow simulation. It is noteworthy to stress, in closing, that the 66-species mechanism seems a good and affordable candidate to tackle the direct simulation of n-heptane combustion
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