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In the context of the search for gasoline surrogates for kinetic modeling purpose, this paper describes a new model for the low-temperature auto-ignition of n-heptane/iso-octane/hexene/toluene blends for the different linear isomers of…
An extension to the classical FPV model is developed for transcritical real-fluid combustion simulations in the context of finite volume, fully compressible, explicit solvers. A double-flux model is developed for transcritical flows to…
A selfconsistent 1D theoretical framework for plasma assisted ignition and combustion is reviewed. In this framework, a frozen electric field modeling approach is applied to take advantage of the quasiperiodic behaviors of the electrical…
We report on results obtained with the NEXT-DEMO prototype of the NEXT-100 high-pressure xenon gas time projection chamber (TPC), exposed to an alpha decay calibration source. Compared to our previous measurements with alpha particles, an…
A two-dimensional model of wildfire spread and merger is presented. Three features affect the fire propagation: (i) a constant basic rate of spread term accounting for radiative and convective heat transfer, (ii) the unidirectional,…
The reaction between atomic carbon in its ground electronic state, C(3P), and nitrous oxide, N2O, has been studied below room temperature due to its potential importance for astrochemistry, with both species considered to be present at high…
We present a method to integrate predictions from a theoretical model of a reaction with three bodies in the final state over the region of phase space covered by a given experiment. The method takes into account the true experimental…
Diffusive transport of mass occurs at small scales in turbulent premixed flames. As a result, multicomponent mass diffusion, which is often neglected in direct numerical simulations (DNS) of premixed combustion, has the potential to impact…
Rate constants for the C(3P) + CH3OH reaction have been measured in a continuous supersonic flow reactor over the range 50 K to 296 K. C(3P) was created by the in-situ pulsed laser photolysis of CBr4, a multiphoton process which also…
A new premixed turbulent combustion model is proposed. It is based on one-dimensional (1D) filtering of density times progress variable and of the reaction source term of laminar premixed flame profiles using a filter kernel which reflects…
The free energy profile of a reaction can be estimated in a molecular-dynamics approach by imposing a mechanical constraint along a reaction coordinate (RC). Many recent studies have shown that the temperature can greatly influence the path…
A quasi-one-dimensional analytic model is proposed for the internal fluid of rotating detonation combustors (RDCs). This model uses the shock-tube model that constrains the flow to have only a longitudinal component, while admitting the…
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 272 fine-structure levels arising from the $2s^{2}…
A novel method for analyzing counterflow diffusion flames, inspired by Zurada's sensitivity approach for neural networks, is proposed to identify critical species influencing the heat release rate in combustion. By further analyzing…
Laminar premixed flame profiles of methane/air free flames and strained flames at different fuel/air ratios and strain rates are analysed using detailed chemistry with Lewis numbers equal to one. It is shown that the detailed chemistry…
In this work, we develop novel structure-preserving numerical schemes for a class of nonlinear Fokker--Planck equations with nonlocal interactions. Such equations can cover many cases of importance, such as porous medium equations with…
Three-dimensional CP-DNS of reacting iron particle dust clouds in a turbulent mixing layer are conducted. The simulation approach considers the Eulerian transport equations for the reacting gas phase and resolves all scales of turbulence,…
We examine the significance of $2 \rightarrow 2$ partonic collisions as the suppression mechanism of high-energy partons in the strongly interacting medium formed in ultrarelativistic heavy ion collisions. For this purpose, we have…
Recently, a new distributed implementation of the full configuration interaction (FCI) method has been reported [Gao et al. J. Chem Theory Comput. 2024, 20, 1185]. Thanks to a hybrid parallelization scheme, the authors were able to compute…
In this paper, a novel observation is made on a one-dimensional compressible Navier--Stokes model for the dynamic combustion of a reacting mixture of $\gamma$-law gases ($\gamma>1$) with discontinuous Arrhenius reaction rate function, on…