Direct numerical simulation of fluid flow and mass transfer in dense fluid-particle systems with surface reactions

Lu, Jiangtao; Das, Soumen; Peters, E.A.J.F.; Kuipers, J.A.M.

doi:10.1016/j.ces.2017.10.018

Cited by 50 publications

(45 citation statements)

References 33 publications

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“…The effect of Henry's law and diffusion coefficient ratio on the Sherwood number were investigated when the chemical reaction is occurring either in the dispersed or continuous phases. Lu et al (2018) employed an Immersed Boundary Method (IBM) to study mass transfer with a first order irreversible surface chemical reaction and applied it to a single stationary sphere under forced convection. The external mass transfer coefficients were numerically computed and com pared to those derived from the empirical correlation of Frössling.…”

Section: Literature Overviewmentioning

confidence: 99%

Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling

Sulaiman

Climent

Hammouti

et al. 2019

Chemical Engineering Science

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Section: Literature Overviewmentioning

confidence: 99%

Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling

Sulaiman

Climent

Hammouti

et al. 2019

Chemical Engineering Science

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“…This is an extension of the work presented in Dorai et al 13 PRS has been shown to be easily extended to heat and mass transfer as the technique used to solve the momentum equations with solid obstacles, as, e.g., Immersed Boundary, Distributed Lagrange Multiplier/Fictitious Domain or lattice-Boltzmann, can be similarly used to solve other conservation equations. [34][35][36][37] An integrated framework based on DEM and PRS for reactive flows, as demonstrated by Partopour et al 34 and other groups, is currently at the final stage of development in our group 5 and will enable us to assess the chemical efficiency uncertainty induced by the multiple input parameters: loading procedure, particle shape, contact force parameters, dimensionless momentum transfer numbers (Reynolds number), dimensionless mass transfer numbers (fluid/solid diffusivity ratio, Schmidt number, Damkohler number) and kinetic models.…”

Section: Resultsmentioning

confidence: 99%

Predicting Average Void Fraction and Void Fraction Uncertainty in Fixed Beds of Poly Lobed Particles

Rolland¹,

Rakotonirina²,

Devouassoux³

et al. 2019

Ind. Eng. Chem. Res.

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Random packed beds of cylindrical, trilobic and quadrilobic particles in cylindrical and bi-periodic containers are numerically studied using Grains 3D, a code based on the Discrete Element Method (DEM) that resolves all inelastic collisions and simulates dynamically the loading of packed beds. To mimic industrial or laboratory packing 1 procedures, particles initial position and orientation are random so that the same simulation repeated again yields a different packed bed structure and thus a different average void fraction. These "in silico" experiments aim at being able to optimize particle shape in heterogeneous catalysis, in particular with respect to the corresponding bed void fraction that is a critical parameter for pressure drop prediction. These "in silico" experiments are deterministic and accurate but with differences due to the loading procedure. In this paper, we first present our assessment of the uncertainty on average void fraction induced by (i) the initial random position and orientation of inserted particles and (ii) the insertion zone size. Next we investigate the effect of particle shape, namely cylindrical, trilobic and quadrilobic on the average void fraction as a function of particle length and diameter, and of the container type. Simple correlations are proposed that describe very well the simulations within the aforementioned uncertainty related to the packing procedure. While the beds made with cylindrical particles are markedly denser, the beds made of the trilobic and quadrilobic particles have statistically an identical void fraction.

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“…To overcome this difficulty, direct numerical simulation (DNS) techniques, such as fictitious domain method [24,25] or immersed boundary method [26,27], can be adopted to evaluate the interaction between fluid and particles. Although a CFD-DNS-DEM coupled model has been applied to particle flows [28,29], the application of such methods in microscopic simulation of pore-scale particle flows is still intractable mainly due to the unique physical features and complex flow phenomena in pore space. So far, direct numerical simulations of particle flow at the pore-scale are rarely reported.…”

Section: Introductionmentioning

confidence: 99%

“…Equation(28) should satisfy the continuity equation. However, this equation is the velocity relation at the cell center when applied to continuity equation, it is assumed that the above equation is also satisfied at the face center (Rhoe-Chow interpolation[38]), i.e.…”

mentioning

confidence: 99%

Pore-scale direct numerical simulation of particle transport in porous media

Chai

Wang

et al. 2019

Chemical Engineering Science

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A computational platform for direct numerical simulation of fluid-particle two-phase flow in porous media is presented in this study. In the proposed platform, the Navier-Stokes equations are used to describe the motion of the continuous phase, while the discrete element method (DEM) is employed to evaluate particle-particle and particle-wall interactions, with a fictitious domain method being adopted to evaluate particle-fluid interactions. Particle-wall contact states are detected by the ERIGID scheme. Moreover, a new scheme, namely, base point-increment method is developed to improve the accuracy of particle tracking in porous media. In order to improve computationally efficiency, a time splitting strategy is applied to couple the fluid and DEM solvers, allowing different time steps to be used which are adaptively determined according to the stability conditions of each solver. The proposed platform is applied to particle transport in a porous medium with its pore structure being reconstructed from micro-CT scans from a real rock. By incorporating the effect of pore structure which has a comparable size to the particles, numerical results reveal a number of distinct microscopic flow mechanisms and the corresponding macroscopic characteristics. The time evolution of the inlet to outlet pressure-difference consists of large-scale spikes and small-scale fluctuations. Apart from the influence through direct contacts between particles, the motion of a particle can also be affected by particles without contact through blocking a nearby passage for fluid flow. Particle size has a profound influence on the macroscopic motion behavior of particles. Small particles are easier to move along the main stream and less dispersive in the direction perpendicular to the flow than large particles.

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Direct numerical simulation of fluid flow and mass transfer in dense fluid-particle systems with surface reactions

Cited by 50 publications

References 33 publications

Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling

Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling

Predicting Average Void Fraction and Void Fraction Uncertainty in Fixed Beds of Poly Lobed Particles

Pore-scale direct numerical simulation of particle transport in porous media

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