Giacomo Falcucci

Transverse harmonic oscillations of laminae in viscous fluids: a lattice Boltzmann study

In this paper, we use the lattice Boltzmann method with the Bhatnagar–Gross–Krook linear collision operator to study the flow physics induced by a rigid lamina undergoing moderately large harmonic oscillations in a viscous fluid. We propose a refill procedure for the hydrodynamic quantities in the lattice sites that are in the vicinity of the oscillating lamina. The numerically estimated flow field is used to compute the complex hydrodynamic function that describes the added mass and hydrodynamic damping experienced by the lamina. Results of the numerical simulations are validated against theoretical predictions for small amplitude vibrations and experimental and numerical findings for moderately large oscillations.

Mapping reactive flow patterns in monolithic nanoporous catalysts

Abstract The development of high-efficiency porous catalyst membranes critically depends on our understanding of where the majority of the chemical conversions occur within the porous structure. This requires mapping of chemical reactions and mass transport inside the complex nanoscale architecture of porous catalyst membranes which is a multiscale problem in both the temporal and spatial domains. To address this problem, we developed a multiscale mass transport computational framework based on the lattice Boltzmann method that allows us to account for catalytic reactions at the gas–solid interface by introducing a new boundary condition. In good agreement with experiments, the simulations reveal that most catalytic reactions occur near the gas-flow facing side of the catalyst membrane if chemical reactions are fast compared to mass transport within the porous catalyst membrane.

Lattice Boltzmann simulations of phase-separating flows at large density ratios: the case of doubly-attractive pseudo-potentials

It is shown that the cooperation between short and mid range attraction in Lattice Boltzmann (LB) models with multi-range pseudo-potentials, permits the achievement of phase-separation at liquid/vapor density ratios in excess of 1 : 500, nearly an order of magnitude above the current limits of standard single-range LB models. Inspection of the density configurations reveals that this favourable behaviour results from a sizeable reduction of spurious currents near the liquid/vapour interface. The aforementioned enhancement of the density ratio is obtained at virtually the same computational cost of the standard single-range models. As a consequence, the present results may open the way to a broader spectrum of LB applications, involving the dynamics of complex phase-separating flows with large density ratios.

Lattice Boltzmann models for nonideal fluids with arrested phase-separation.

The effects of midrange repulsion in lattice Boltzmann models on the coalescence and/or breakup behavior of single-component, nonideal fluids are investigated. It is found that midrange repulsive interactions allow the formation of spraylike, multidroplet configurations, with droplet size directly related to the strength of the repulsive interaction. The simulations show that just a tiny 10% of midrange repulsive pseudoenergy can boost the surface:volume ratio of the phase-separated fluid by nearly two orders of magnitude. Drawing upon a formal analogy with magnetic Ising systems, a pseudopotential energy is defined, which is found to behave similar to a quasiconserved quantity for most of the time evolution. This offers a useful quantitative indicator of the stability of the various configurations, thus helping the task of their interpretation and classification. The present approach appears to be a promising tool for the computational modeling of complex flow phenomena, such as atomization, spray formation, microemulsions, breakup phenomena, and possibly glassylike systems as well.

Effects of Knudsen diffusivity on the effective reactivity of nanoporous catalyst media

Abstract We investigate the non-equilibrium hydrodynamic effects on the reactivity of a nanoporous catalytic sample. Numerical simulations using the Lattice Boltzmann Method (LBM) show that non-equilibrium effects enhance the reactivity of the porous sample, in agreement with theoretical predictions [1] . In addition, we provide a quantitative assessment of the reactivity in terms of the thickness of the reactive layer inside the nanoporous catalytic sample. Such an assessment constitutes a first step towards integrated simulations encompassing nanoscale reactivity and transport coefficients within a macroscale description of experimental relevance.

Lattice Boltzmann spray-like fluids

The effect of the competition between short-range attraction and mid-range repulsion in lattice Boltzmann models of single-component non-ideal fluids is investigated. It is shown that the presence of repulsive interactions gives rise to long-lived metastable states in the form of multi-droplet spray-like density configurations, whose size can be adjusted by fine-tuning the strength of the repulsive vs. attractive coupling. This opens up the possibility of using single-component lattice kinetic models to study a new class of complex flow applications, involving atomization, spray formation, micro-emulsions and possibly, glassy-like phenomena as well.

Mesoscopic simulation of non-ideal fluids with self-tuning of the equation of state

A dynamic optimization strategy is presented to generate customized equations of state (EOS) for the numerical simulation of non-ideal fluids at high density ratio. While stable branches of the analytical EOS are preserved, the spinodal region is self-tuned during the simulation, in order to compensate for numerical errors caused by discretization in phase space. The employed EOS permits the readily setting of the sound speeds for the gas and liquid phases, thus allowing stable simulation with high density (1 : 10 to 1 : 1000) and compressibility ratios (250 : 1–25000 : 1). The present technique is demonstrated for lattice Boltzmann simulation of (free-space) multiphase systems with flat and circular interfaces.

Lattice Boltzmann modeling of water entry problems

This paper deals with the simulation of water entry problems using the lattice Boltzmann method (LBM). The dynamics of the free surface is treated through the mass and momentum fluxes across the interface cells. A bounce-back boundary condition is utilized to model the contact between the fluid and the moving object. The method is implemented for the analysis of a two-dimensional flow physics produced by a symmetric wedge entering vertically a weakly-compressible fluid at a constant velocity. The method is used to predict the wetted length, the height of water pile-up, the pressure distribution and the overall force on the wedge. The accuracy of the numerical results is demonstrated through comparisons with data reported in the literature.

Fluid Dynamic Investigation of Channel Design in High Temperature PEM Fuel Cells

In this paper we analyze the three-dimensional flow field in anode and cathode gas channels of polymer electrolyte membrane (PEM) fuel cells operating at high temperature (T > 100°C). Different gas flow channel designs (pin-type, parallel channels, comb-tipe and multiple serpentine), as well as different channel sections (squared, trapezoidal and rounded with different curvature radii) are evaluated in function of some relevant parameters. The analysis is performed accounting for overall pressure losses, gas distribution over the electrode area and residence time with focus on channel hydraulic diameter, active surface ratio, gas path. Differences with low temperature (LT) PEM fuel cell design are also adressed. The investigation is conducted by means of 3D-CFD softwares and the results of our simulations are compared to experimental data in literature.

Extended friction elucidates the breakdown of fast water transport in graphene oxide membranes

The understanding of water transport in graphene oxide (GO) membranes stands out as a major theoretical problem in graphene research. Notwithstanding the intense efforts devoted to the subject in the recent years, a consolidated picture of water transport in GO membranes is yet to emerge. By performing mesoscale simulations of water transport in ultrathin GO membranes, we show that even small amounts of oxygen functionalities can lead to a dramatic drop of the GO permeability, in line with experimental findings. The coexistence of bulk viscous dissipation and spatially extended molecular friction results in a major decrease of both slip and bulk flow, thereby suppressing the fast water transport regime observed in pristine graphene nanochannels. Inspection of the flow structure reveals an inverted curvature in the near-wall region, which connects smoothly with a parabolic profile in the bulk region. Such inverted curvature is a distinctive signature of the coexistence between single-particle Langevin friction and collective hydrodynamics. The present mesoscopic model with spatially extended friction may offer a computationally efficient tool for future simulations of water transport in nanomaterials.