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Register a new userDynamic p-enrichment schemes for multicomponent reactive flows
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We present a family of p-enrichment schemes. These schemes may be separated into two basic classes: the first, called emph{fixed tolerance schemes}, rely on setting global scalar tolerances on the local regularity of the solution, and the second, called emph{dioristic schemes}, rely on time-evolving bounds on the local variation in the solution. Each class of $p$-enrichment scheme is further divided into two basic types. The first type (the Type I schemes) enrich along lines of maximal variation, striving to enhance stable solutions in areas of highest interest. The second type (the Type II schemes) enrich along lines of maximal regularity in order to maximize the stability of the enrichment process. Each of these schemes are tested over a pair of model problems arising in coastal hydrology. The first is a contaminant transport model, which addresses a declinature problem for a contaminant plume with respect to a bay inlet setting. The second is a multicomponent chemically reactive flow model of estuary eutrophication arising in the Gulf of Mexico.
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A new lattice Boltzmann model for multicomponent ideal gas mixtures is presented. The model development consists of two parts. First, a new kinetic model for Stefan- Maxwell diffusion amongst the species is proposed and realized as a lattice Boltzmann equation on the standard discrete velocity set. Second, a compressible lattice Boltzmann model for the momentum and energy of the mixture is established. Both parts are consistently coupled through mixture composition, momentum, pressure, energy and enthalpy whereby a passive scalar advection-diffusion coupling is obviated, unlike in previous approaches. The proposed model is realized on the standard three-dimensional lattices and is validated with a set of benchmarks highlighting various physical aspects of compressible mixtures. Stefan-Maxwell diffusion is tested against experiment and theory of uphill diffusion of argon and methane in a ternary mixture with hydrogen. The speed of sound is measured in various binary and ternary compositions. We further validate the Stefan-Maxwell diffusion coupling with hydrodynamics by simulating diffusion in opposed jets and the three-dimensional Kelvin-Helmholtz instability of shear layers in a two-component mixture. Apart from the multicomponent compressible mixture, the proposed lattice Boltzmann model also provides an extension of the lattice Boltzmann equation to the compressible flow regime on the standard three-dimensional lattice.
A new lattice Boltzmann model (LBM) for chemically reactive mixtures is presented. The approach capitalizes on the recently introduced thermodynamically consistent LBM for multicomponent mixtures of ideal gases. Similar to the non-reactive case, the present LBM features Stefan--Maxwell diffusion of chemical species and a fully on-lattice mean-field realization of the momentum and energy of the flow. Besides introducing the reaction mechanism into the kinetic equations for the species, the proposed LBM also features a new realization of the compressible flow by using a concept of extended equilibrium on a standard lattice in three dimensions. The full thermodynamic consistency of the original non-reactive multicomponent LBM enables to extend the temperature dynamics to the reactive mixtures by merely including the enthalpy of formation in addition to the previously considered sensible energy. Furthermore, we describe in detail the boundary conditions to be used for reactive flows of practical interest. The model is validated against a direct numerical simulation of various burning regimes of a hydrogen/air mixture in a microchannel, in two and three dimensions. Excellent comparison in these demanding benchmarks indicates that the proposed LBM can be a valuable and universal model for complex reactive flows.
We develop numerical schemes for solving the isothermal compressible and incompressible equations of fluctuating hydrodynamics on a grid with staggered momenta. We develop a second-order accurate spatial discretization of the diffusive, advective and stochastic fluxes that satisfies a discrete fluctuation-dissipation balance, and construct temporal discretizations that are at least second-order accurate in time deterministically and in a weak sense. Specifically, the methods reproduce the correct equilibrium covariances of the fluctuating fields to third (compressible) and second (incompressible) order in the time step, as we verify numerically. We apply our techniques to model recent experimental measurements of giant fluctuations in diffusively mixing fluids in a micro-gravity environment [A. Vailati et. al., Nature Communications 2:290, 2011]. Numerical results for the static spectrum of non-equilibrium concentration fluctuations are in excellent agreement between the compressible and incompressible simulations, and in good agreement with experimental results for all measured wavenumbers.
A reactive fluid dissolving the surface of a uniform fracture will trigger an instability in the dissolution front, leading to spontaneous formation of pronounced well-spaced channels in the surrounding rock matrix. Although the underlying mechanism is similar to the wormhole instability in porous rocks there are significant differences in the physics, due to the absence of a steadily propagating reaction front. In previous work we have described the geophysical implications of this instability in regard to the formation of long conduits in soluble rocks. Here we describe a more general linear stability analysis, including axial diffusion, transport limited dissolution, non-linear kinetics, and a finite length system.
A new lattice Boltzmann model for reactive ideal gas mixtures is presented. The model is an extension to reactive flows of the recently proposed multi-component lattice Boltzmann model for compressible ideal gas mixtures with Stefan-Maxwell diffusion for species interaction. First, the kinetic model for the Stefan--Maxwell diffusion is enhanced to accommodate a source term accounting the change of the mixture composition due to chemical reaction. Second, by including the heat of formation in the energy equation, the thermodynamic consistency of the underlying compressible lattice Boltzmann model for momentum and energy allows a realization of the energy and temperature change due to chemical reactions. This obviates the need for ad-hoc modelling with source terms for temperature or heat. Both parts remain consistently coupled through mixture composition, momentum, pressure, energy and enthalpy. The proposed model uses the standard three-dimensional lattices and is validated with a set of benchmarks including laminar burning speed in the hydrogen-air mixture and circular expanding premixed flame.
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