Modelagem de dois fluidos é largamente aplicada para simular escoamentos gássólido em risers de leitos fluidizados circulantes. As atuais simulações são de grandes clusters (SGC), executadas em domínios reais com malhas numéricas grosseiras, ou simulações sub-malha, executadas em malhas numéricas refinadas em domínios reduzidos. O propósito das simulações sub-malha é principalmente produzir dados de meso-escala a serem aplicados em simulações de grandes clusters. A atual literatura apresenta apenas umas poucas simulações sub -malha de escoamentos gás-sólido em risers aplicando modelagem de dois fluidos, todas para condições típicas de reatores de leito fluidizado circulante de craqueamento catalítico. Neste trabalho realizou-se uma simulação sub-malha para esta condição, e também para uma outra condição típica de reatores de leito circulante para combustão/gaseificação. Correlações teóricas derivadas da teoria cinética dos escoamentos granulares (TCEG) foram aplicadas para determinar a pressão e as viscosidades da fase sólida. Considerou-se um domínio de pequenas dimensões sob condições de contorno periódicas, aplicando-se malhas numéricas refinadas. Os resultados das simulações foram comparados entre si, com outros resultados de simulação de literatura, e com dados experimentais. Então, a correção das simulações foi abordada em vista dos dados empíricos disponíveis. / Two-fluid modeling is widely applied to simulate gas-solid flows in risers of circulating fluidized beds. Current simulations are either large cluster simulations (LCS), performed in real domains under coarse numerical meshes, or sub-grid simulations, performed in reduced domains under refined numerical meshes. The purpose of subgrid simulation is mostly to provide meso-scale data to be applied in large cluster simulations. The up to date literature presents only a few sub -grid simulations of gassolid flows in risers applying two-fluid modeling, all of them for conditions typical of catalytic cracking circulating fluidized bed reactors. In the present work a sub-grid simulation was performed for this condition, as well as for a condition typical of circulating fluidized bed coal combustion/gasification reactors. Theoretical correlations derived from the kinetic theory of granular flows (KTGF) were applied to determine pressure and viscosities of the solid phase. A small size domain was considered under periodic boundary conditions, and a refined numerical mesh was applied. The results of the simulations were compared to each other, to other literature results of simulation, and to experimental data. Then, the accuracy of the simulations was addressed in view of the available empirical data.

A generic formulation for modeling the sub-grid combustion in compressible, high Reynolds number, two-phase, reacting flows has been developed and validated. A sub-grid mixing/combustion model called Linear Eddy Mixing (LEM) model has been extended to compressible flows and used inside the framework of Large Eddy Simulation (LES) in this LES-LEM approach. The LES-LEM approach is based on the proposition that the basic mechanistic distinction between the convective and the molecular effects should be preserved for accurate prediction of the complex flow-fields such as those encountered in many combustion systems. In LES-LEM, all the physical processes such as molecular diffusion, small and large scale turbulent convection and chemical reaction are modeled separately but concurrently at their respective time scales. This multi-scale phenomena is solved using a two-scale numerical approach, wherein molecular diffusion, small scale turbulent convection and chemical reaction are grouped as small scale processes and the convection at the (LES grid) resolved scales are deemed as the large scale processes. Small-scale processes are solved using a hybrid finite-difference Monte-carlo type approach in a one-dimensional domain. Large-scale advection on the three-dimensional LES grid is modeled in a Lagrangian manner that conserves mass. Liquid droplets (represented by computational parcels) are tracked using the Lagrangian approach wherein the Newton's equation of motion for the discrete particles are integrated explicitly in the Eulerian gas field. Drag effects due to the droplets on the gas phase and the heat transfer between the gas and the liquid phase are explicitly included. Thus, full coupling is achieved between the two phases in the simulation. Validation of the compressible LES-LEM approach is conducted by simulating the flow-field in an operational General Electric Power Systems' combustor (LM6000). The results predicted using the proposed approach compares well with the experiments and a conventional (G-equation) thin-flame model. Particle tracking algorithms used in the present study are validated by simulating droplet laden temporal mixing layers. Comparison of the energy growth in the fundamental and sub-harmonic mode in the presence and absence of the droplets shows excellent agreement with spectral DNS. Finally, to test the ability of the present two-phase LES-LEM in simulating partially premixed combustion, a LES of freely propagating partially premixed flame in a droplet-laden isotropic turbulent field is conducted. LES-LEM along with the spray models correctly captures the flame structure in the partially premixed flames. It was found that most of the fuel droplets completely vaporize before reaching the flame, and hence provides a continuous supply of reactants, which results in an intense reaction zone similar to a premixed flame. Some of the droplets that did not evaporate completely, traverse through the flame and vaporize suddenly in the post flame zone. Due to the strong spatial variation of equivalence ratio a broad flame similar to a premixed flame is realized. Triple flame structure are also observed in the flow-field due to the equivalence ratio fluctuations.

Modelagem de dois fluidos é largamente aplicada para simular escoamentos gássólido em risers de leitos fluidizados circulantes. As atuais simulações são de grandes clusters (SGC), executadas em domínios reais com malhas numéricas grosseiras, ou simulações sub-malha, executadas em malhas numéricas refinadas em domínios reduzidos. O propósito das simulações sub-malha é principalmente produzir dados de meso-escala a serem aplicados em simulações de grandes clusters. A atual literatura apresenta apenas umas poucas simulações sub -malha de escoamentos gás-sólido em risers aplicando modelagem de dois fluidos, todas para condições típicas de reatores de leito fluidizado circulante de craqueamento catalítico. Neste trabalho realizou-se uma simulação sub-malha para esta condição, e também para uma outra condição típica de reatores de leito circulante para combustão/gaseificação. Correlações teóricas derivadas da teoria cinética dos escoamentos granulares (TCEG) foram aplicadas para determinar a pressão e as viscosidades da fase sólida. Considerou-se um domínio de pequenas dimensões sob condições de contorno periódicas, aplicando-se malhas numéricas refinadas. Os resultados das simulações foram comparados entre si, com outros resultados de simulação de literatura, e com dados experimentais. Então, a correção das simulações foi abordada em vista dos dados empíricos disponíveis. / Two-fluid modeling is widely applied to simulate gas-solid flows in risers of circulating fluidized beds. Current simulations are either large cluster simulations (LCS), performed in real domains under coarse numerical meshes, or sub-grid simulations, performed in reduced domains under refined numerical meshes. The purpose of subgrid simulation is mostly to provide meso-scale data to be applied in large cluster simulations. The up to date literature presents only a few sub -grid simulations of gassolid flows in risers applying two-fluid modeling, all of them for conditions typical of catalytic cracking circulating fluidized bed reactors. In the present work a sub-grid simulation was performed for this condition, as well as for a condition typical of circulating fluidized bed coal combustion/gasification reactors. Theoretical correlations derived from the kinetic theory of granular flows (KTGF) were applied to determine pressure and viscosities of the solid phase. A small size domain was considered under periodic boundary conditions, and a refined numerical mesh was applied. The results of the simulations were compared to each other, to other literature results of simulation, and to experimental data. Then, the accuracy of the simulations was addressed in view of the available empirical data.