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• Fully resolved simulations of fluid-particle systems. • Surface reaction with significant heat effects. • Temperature-dependent reaction rates determined by the Arrhenius equation. • Simulation parameters adopted from realistic POX reaction. In this paper, an efficient ghost-cell based immersed boundary method (IBM) is used to perform direct numerical simulation (DNS) of reactive fluid-particle systems. With an exothermic first order reaction proceeding at the exterior particle surface, the solid temperature rises and consequently increases the reaction rate via an Arrhenius temperature dependence. In other words, the heat and mass transport is dependently coupled through the particle thermal energy equation and the Arrhenius equation, and they offer dynamic boundary conditions for the fluid phase thermal energy equation and species equation respectively. The fluid-solid coupling is enforced at the exact position of the particle surface by implicit incorporation of the boundary conditions into the discretized momentum, species and thermal energy conservation equations of the fluid phase. Different fluid-particle systems are studied with increasing complexity: a single sphere, three spheres and a dense array consisting of hundreds of randomly generated particles. In these systems the mutual impacts between heat and mass transport processes are investigated. [ABSTRACT FROM AUTHOR]

Gas-liquid-solid flows are frequently encountered in chemical, petrochemical and biochemical industries. To overcome the heat and mass transfer limitations in trickle bed reactors and bubble slurry columns, respectively, a micro-structured bubble column (MSBC) can serve as an attractive alternative. In a MSBC, wire meshes are introduced to cut the bubbles in smaller bubbles and enhance the surface renewal (and hence gas-liquid mass transfer) rates, by deformation of the bubbles. Earlier (Jain et al., 2013) modeling efforts using the Euler-Lagrange approach to simulate a micro-structured bubble column employed a bubble cutting closure based on purely geometrical considerations. To improve on this ad hoc procedure in this paper we explore the possibilities of Direct Numerical Simulations to gain more insight in this complex phenomenon with the ultimate aim to develop improved closures. A combined Volume of Fluid-Immersed Boundary method was applied to simulate the interactions between bubbles and wire meshes. When the bubbles are aligned with the opening of the wire mesh, cutting of the bubbles is not observed in our simulations, while cutting was expected based solely on geometrical considerations. When the Eötvös number, Eo , is larger than 4, the bubbles are highly deformable and squeeze themselves through the opening of the wire mesh. In addition, the bubble gets stuck underneath the mesh when the bubbles are small ( Eo ⩽ 4 ) and/or the opening is in the wire mesh is small. Almost all bubbles that hit the intersection of two crossing wires get stuck underneath the mesh, except for large bubbles ( Eo = 15 ), which get cut by the mesh. Based on these results, it is concluded that the cutting of bubbles depends on the Eötvös number, the opening of the wire mesh and geometrical considerations. However, the results also seem to indicate that the diameter of the wire mesh will also influence the cutting behavior. [ABSTRACT FROM AUTHOR]

In this paper, heat transfer and mixing performances are studied using three-dimensional numerical simulations of fluid-structure interactions. To this aim, a multifunctional heat exchanger/reactor geometry is investigated, consisting of a circular pipe where five arrays of four equally spaced trapezoidal vortex generators are inserted and inclined in a reversed position opposite to the flow direction with an angle of 45° with respect to the pipe wall. A periodic rotation of 45° is applied to the tabs arrays. Two cases are numerically studied: one using flexible vortex generators (FVG) that deform due to fluid forces applied on the structures and the other using conventional non deformable rigid vortex generators (RVG). For the FVG configuration, the tabs oscillate without addition of any external source of energy except that of the fluid flow itself, leading to a passive but dynamic way to perform vortex formation to disturb the flow. Both flow regimes are laminar with a constant Reynolds number of 1500. The flow structures are analyzed using the proper orthogonal decomposition (POD) technique and the effect of tabs oscillation on vortices creation, suppression and dislocation is highlighted. The effect of self-sustained free elastic tabs oscillation on heat transfer and mixing performances is numerically investigated by comparing the FVG with its corresponding RVG configuration. The Nusselt number comparison shows that the free tabs oscillation can improve the overall heat transfer of about 118% with respect to an empty pipe whereas it is about 97% for the RVG study. Finally, to assess the mixing performance, the transport of a passive scalar initially divided into two different concentrations in the pipe is numerically analyzed through the mixing index value. The FVG configuration shows a drastic improvement of the mixture quality at the exit of the pipe with an increase of 195% with respect to the RVG case, leading to much shorter and compact mixers and reactors. [ABSTRACT FROM AUTHOR]

The unique properties of ceramic foams make them well suited to a range of applications in science and engineering such as heat transfer, reaction catalysis, flow stabilization, and filtration. Consequently, a detailed understanding of the transport properties (i.e. permeability, pressure drop) of these foams is essential. This paper presents the results of both numerical and experimental investigations of the morphology and pressure drop in 10 ppi (pores per inch), 20 ppi and 30 ppi ceramic foam specimens with porosity in the range of 75–79%. The numerical simulations were carried out using a GPU implementation of the three-dimensional, multiple-relaxation-time lattice Boltzmann method (MRT-LBM) on geometries of up to 360 million nodes in size. The experiments were undertaken using a water channel. Foam morphology (porosity and specific surface area) was studied on post-processed, computed tomography (CT) images, and the sensitivity of these results to CT image thresholding was also investigated. Comparison of the numerical and experimental data for pressure drop exhibited very good agreement. Additionally, the results of this study were verified against other researchers׳ data and correlations, with varying outcomes. [ABSTRACT FROM AUTHOR]

In this paper we report the extension of an earlier reported DNS method (Deen et al., 2012; Deen and Kuipers, 2013) based on a novel Immersed Boundary Method (IBM) which incorporates the fluid-solid coupling at the level of the discrete field equations. The extended method is used to study coupled mass and heat transport in dense fluid-particle systems where the coupling arises as a consequence of an exothermal chemical reaction proceeding at the exterior surface of the particles. Following a detailed verification (using an independent numerical technique) and validation (using established empirical correlations) we apply our DNS technique to study coupled mass and heat transfer in a dense fluid-particle system. In addition a comparison is made with results obtained from a simple one-dimensional (1D) heterogeneous reactor model which uses empirical closures for the fluid-particle mass and heat transfer coefficients. The main features of the complex transient temperature profiles obtained from our DNS agree quite well with the corresponding profiles obtained from the 1D heterogeneous reactor model. [ABSTRACT FROM AUTHOR]

This paper reviews the use of direct numerical simulation (DNS) models for the study of mass, momentum and heat transfer phenomena prevailing in dense gas-solid flows. In particular, we consider the DNS models as the first important step in a multiscale modeling strategy. Both the merits and the limitations of different DNS methods are discussed, in particular for the field of fluidized bed modeling. The importance of the closures for interfacial transfer of mass, momentum and heat, obtained from DNS and applied in coarser scale models, is demonstrated with illustrative examples. Finally, we present our view on required future developments of DNS models for the investigation of various chemical engineering problems. [ABSTRACT FROM AUTHOR]

Abstract: In this paper a simulation model is presented for the direct numerical simulation (DNS) of wall-to-liquid heat transfer in dispersed gas–liquid two-phase flow using a volume of fluid (VOF) approach. Our model extends the VOF model developed by van Sint Annaland et al. (2005) to non-isothermal conditions. Our VOF method involves an interface reconstruction technique based on piecewise linear interface representation. The surface tension is incorporated using a three-dimensional version of the continuous surface force (CSF) model of Brackbill et al. (1992). The model is applied to predict the heat exchange rate between the liquid and a hot wall kept at a fixed temperature. It is found that, due to bubble induced agitation in the liquid phase, the heat transfer rate between the wall and the liquid is considerably enhanced especially when bubble coalescence prevails in the vicinity of the hot wall. Although this finding is obvious from an intuitive point here we present quantitative results to describe this phenomenon. [Copyright &y& Elsevier]

Abstract: This paper analyses reaction and thermal front development in porous reservoirs with reacting flows, such as those encountered in oil shale upgrading. A set of dimensionless groups and a 1D code are developed in order to investigate the important physical and chemical variables of such reservoirs when heated by in situ methods. Theory necessary for this study is presented, namely shale decomposition chemical mechanisms, governing equations for multiphase flow in porous media and necessary closure models. Plotting the ratio of the thermal front speed to the fluid speed allows one to infer that the reaction front ends where this ratio is at a minimum. The reaction front follows the thermal front closely, thus allowing assumptions to be made about the extent of decomposition solely by looking at thermal front progression. Furthermore, this sensitivity analysis showed that a certain minimum permeability is required in order to ensure the formation of a traveling thermal front. Compared to varying deposit porosities and kerogen activations energies, varying temperature, pressure and permeability are more important. [Copyright &y& Elsevier]

Abstract: In this paper a novel simulation technique is presented to perform Direct Numerical Simulation (DNS) of fluid flow and heat transfer in dense fluid–particle systems. The unique feature of our fluid–solid coupling technique is the direct (i.e., implicit) incorporation of the boundary condition (with a second-order method) at the surface of the particles at the level of the discrete momentum and thermal energy equations of the fluid. Contrary to lattice Boltzmann or other commonly used immersed boundary implementations, our method does not require using any effective diameter. A fixed (Eulerian) grid is utilized to solve the Navier–Stokes equations for the entire computational domain. Dissipative particle–particle and/or particle-wall collisions are accounted via a hard sphere discrete particle approach using a three-parameter particle–particle interaction model accounting for normal and tangential restitution and tangential friction. Following the detailed verification of the method several dense multi-particle systems are studied in detail involving stationary arrays of particles and fluidized particles. [Copyright &y& Elsevier]

Abstract: In this paper, the regulation problem of convection governed dynamical processes described by linear distributed parameter models with position-independent inputs is addressed by combining the method of characteristics (MC) and the Malek-Zavarei and Jamshidi theorem. In this approach, the MC is used to transform the first order partial differential equations model of such processes into a set of time-delayed ordinary differential equations whose elements are used to generate certain matrices that satisfy linear matrix inequalities that render the proportional integral (PI) control parameters that guarantee the process stability. The performance of the proposed PI controller is tested via numerical simulations in the temperature regulation of a linear heat exchanger and compared to a tightly tuned classical PI controller. The application of the proposed controller is extended to regulate the outlet concentration in a nonlinear non-isothermal plug flow reactor. It is shown that the proposed controller is able to handle the infinite dimensional nature of the process model yielding smooth and unsaturated responses around the predetermined set-point trajectory in the face of load changes, time varying boundary conditions and set-point changes. [Copyright &y& Elsevier]

Abstract: With the study object of an 100kt/a SL-II ethylene cracking furnace, this paper used Computational Fluid Dynamics (CFD) method to carry out coupled simulation studies on the flow, combustion, radiative heat transfer and thermal cracking reaction processes in the cracking furnace. The standard k–ε two-equation model was applied to turbulence simulation. The finite-rate/eddy-dissipation model was used for modeling of non-premixed combustion of the bottom burners and premixed combustion of the sidewall burners. The Discrete Ordinates (DO) model was applied to the simulation of radiative heat transfer of furnace. The simulation results show the detailed information about velocity, temperature and concentration fields in the furnace and heat flux distribution on the reactor tubes skin. This work will provide a theoretical basis for the optimization of the geometrical structure and operational parameters of the cracking furnace. [Copyright &y& Elsevier]

Abstract: This paper proposes a transient three-phase numerical model for the simulation of multiphase flow, heat and mass transfer and combustion in a bubbling fluidized bed of inert sand. The gas phase is treated as a continuum and solved using the computational fluid dynamics (CFD) approach; the solid particles are treated as two discrete phases with different reactivity characteristics and solved on the individual particle scale using an extended discrete element model (DEM). A new char combustion submodel considering sand inhibitory effects is also developed to describe char particle combustion behavior in the fluidized bed. Two conditions, i.e. a single larger graphite particle and a batch of smaller graphite particles, are used to test the prediction capability of the model. The model is validated by comparing the predicted results with the previous measured results and conclusions in the literature in terms of bed hydrodynamics, individual particle temperature, char residence time and concentrations of the products. The effects of bed temperature, oxygen concentration and superficial velocity on char combustion behavior are also examined through model simulation. The results indicate that the proposed model provides a proximal approach to elucidate multiphase flow and combustion mechanisms in fluidized bed combustors. [ABSTRACT FROM AUTHOR]

This paper presents a mathematical model based on a three-phase theory, which is used to describe the mass and heat transfer between the gas and solids phases in a batch fluidised bed dryer. In the model, it is assumed that the dilute phase (i.e., bubble) is plug flow while the interstitial gas and the solid particles are considered as being perfectly mixed. The thermal conductivity of wet particles is modelled using a serial and parallel circuit. The moisture diffusion in wet particles was simulated using a numerical finite volume method. Applying a simplified lumped model to a single solid particle, the heat and mass transfer between the interstitial gas and solid phase is taken into account during the whole drying process as three drying rate periods: warming-up, constant rate and falling-rate. The effects of the process parameters, such as particle size, gas velocity, inlet gas temperature and relative humidity, on the moisture content of solids in the bed have been studied by numerical computation using this model. The results are in good agreement with experimental data of heat and mass transfer in fluidised bed dryers. The model will be employed for online simulation of a fluidised bed dryer and for online control. [Copyright &y& Elsevier]

• The generic micro-layer model can predict the nucleation of a water bubble. • The heat transfer improves as the bubble the lift-off time increases. • The heat transfer enhancement increases as the bubble spacing is decreased. • The simulated sliding distances are in agreement with past studies. This paper presents a numerical study of the heat transfer associated with multiple sliding bubbles in saturated flow boiling. We develop a stagnant micro-layer model, which is subsequently validated with an existing experimental study. We employ the said model to simulate flow boiling with shear rates γ ̇ ranging from 0.02 s−1 through 0.17 s−1, for bubble spacing s = 2.5 mm and 5 mm. We observe that for a fixed s , the heat transfer coefficients for all values of γ ̇ deviate from one another after a certain time. For cases with s = 5.0 mm, we observe a distinct bubble growth period prior to bubble sliding. For cases with s = 2.5 mm, we observe a relatively short growth period followed by prolonged sliding. The micro-layer contributes up to 65 % of the total latent heat absorbed. Cases with s = 2.5 mm yield a better heat transfer coefficient than those with s = 5 mm. The improvement in the heat transfer coefficient correlates linearly with the lift-off time. [ABSTRACT FROM AUTHOR]