Quadrature-based models for multiphase and turbulent reacting flows

The simulation of physical systems requires accurate and robust methods with relatively low cost and it is still the challenge in many applications of engineering processes, specifically in multiphase flow systems. Soot formation, distribution of the aerosols in the atmosphere, reactive precipitation, and combustion modeling are some examples of these processes. Computer simulations of theses systems require a model that can be adapted to that reality. In this study, a quadrature based method of moments (QBMM) is used to address the problems related to the reactive multiphase flow systems. First, the log-normal kernel density function is implemented into the extended quadrature method of moments (Ln-EQMOM). Ln-EQMOM is verified reconstructing the NDF and calculating the moments of a distribution obtained by the linear combination of two log-normal distributions. Later, this numerical procedure is used for problems of aggregation and breakup of fine particles to solve the population balance equation (PBE). The results are compared to the rigorous solutions reported for the cases under consideration \citep{vanni2000}. Finally, the method is verified using two analytically known problems (\textit{e.g.} coalescence and condensation). In comparison to EQMOM with $\Gamma$ kernel density function \citep{yuan2012}, Ln-EQMOM is faster in terms of computations and it preserves the moments more accurately. Then EQMOM with $\beta$ kernel density function is implemented to approximate the solution of the transport equation for the composition probability density function (PDF) of a passive scalar using the Fokker-Planck model to treat the molecular mixing term. The results then compared in a similar condition to those obtained with direct numerical simulation (DNS). The $L_2$ norm of the PDF is reported for two test cases that have been considered. Later the new approach is introduced to address the problems includes the mixing and reaction. Conditional quadrature method of moments (CQMOM) and using the joint composition PDF for the mixture fraction and progress variables, it is possible to address the problems with two consecutive competitive reactions, one reaction and fast reaction, all including the mixing of reactants. direct quadrature method of moments (DQMOM) also expressed for the joint composition PDF. Results obtained with CQMOM and DQMOM are compared with each other. Finally, the CQMOM approach for mixing problems was tested considering two consecutive competitive reactions to verify the implementation and validate the proposed approach. Coupled mixing-PBE approach was then used to investigate polymer aggregation in a multi-inlet vortex reactor (MIVR), typically used to perform flash nanoprecipitation for the production of nanoparticles used in pharmaceutical applications

On the Eulerian Large Eddy Simulation of disperse phase flows: an asymptotic preserving scheme for small Stokes number flows

In the present work, the Eulerian Large Eddy Simulation of dilute disperse phase flows is investigated. By highlighting the main advantages and drawbacks of the available approaches in the literature, a choice is made in terms of modelling: a Fokker-Planck-like filtered kinetic equation proposed by Zaichik et al. 2009 and a Kinetic-Based Moment Method (KBMM) based on a Gaussian closure for the NDF proposed by Vie et al. 2014. The resulting Euler-like system of equations is able to reproduce the dynamics of particles for small to moderate Stokes number flows, given a LES model for the gaseous phase, and is representative of the generic difficulties of such models. Indeed, it encounters strong constraints in terms of numerics in the small Stokes number limit, which can lead to a degeneracy of the accuracy of standard numerical methods. These constraints are: 1/as the resulting sound speed is inversely proportional to the Stokes number, it is highly CFL-constraining, and 2/the system tends to an advection-diffusion limit equation on the number density that has to be properly approximated by the designed scheme used for the whole range of Stokes numbers. Then, the present work proposes a numerical scheme that is able to handle both. Relying on the ideas introduced in a different context by Chalons et al. 2013: a Lagrange-Projection, a relaxation formulation and a HLLC scheme with source terms, we extend the approach to a singular flux as well as properly handle the energy equation. The final scheme is proven to be Asymptotic-Preserving on 1D cases comparing to either converged or analytical solutions and can easily be extended to multidimensional configurations, thus setting the path for realistic applications

Simulation of coalescence, break up and mass transfer in bubble columns by using the Conditional Quadrature Method of Moments in OpenFOAM

The evaluation of the mass transfer rates and the fluid-dynamics aspects of bubble columns are strongly affected by the intrinsic poly-dispersity of the gas phase, namely the different dispersed bubbles are usually distributed over a certain range of size and chemical composition values. In our previous work, gas-liquid systems were investigated by coupling Computational Fluid Dynamics with mono-variate population balance models (PBM) solved by using the quadrature method of moments (QMOM). Since mass transfer rates depend not only on bubble size, but also on bubble composition, the problem was subsequently extended to the solution of multi-variate PBM (Buffo et al. 2013). In this work, the conditional quadrature method of moments (CQMOM) is implemented in the open-source code OpenFOAM for describing bubble coalescence, breakage and mass transfer of a realistic partially aerated rectangular bubble column, experimentally investigated by Diaz et al.(2008). Eventually, the obtained results are here compared with the experimental data availabl