Unexpected coupling between flow and adsorption in porous media

Vanson, Jean-Mathieu; Coudert, François‐Xavier; Rotenberg, Benjamin; Levesque, Maximilien; Tardivat, Caroline; Klotz, Michaela; Boutin, Anne

doi:10.1039/c5sm01348h

Cited by 28 publications

(35 citation statements)

References 36 publications

(71 reference statements)

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“…Thus, a dead volume exits in the material, and not all adsorption sites are active in these given conditions. This result parallels what we have seen in earlier work, 6 in which we studied the velocity profile for fluid flow in crenelated pore systems and showed the existence of "dead volume", i.e. a non negligible part of the crenel where the velocity of the fluid is close to zero.…”

Section: Crenelated Poresupporting

confidence: 91%

Kinetic Accessibility of Porous Material Adsorption Sites Studied through the Lattice Boltzmann Method

et al. 2017

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We present here a computational model based on the lattice Boltzmann scheme to investigate the accessibility of active adsorption sites in hierarchical porous materials to adsorbates in a flowing liquid. By studying the transport and adsorption of tracers after they enter the pore space of the virtual sample, we characterize their kinetics as they pass through the pore space and adsorb on the solid-liquid interface. The model is validated on simple geometries with a known analytical solution. We then use it to investigate the influence of regular grooves or disordered roughness on the walls of a slit pore geometry, looking at the impact on adsorption and transport. In particular, we highlight the importance of adsorption site accessibility, which depends on the shape and connectivity of the pore space as well as the fluid flow profile and velocity.

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Section: Crenelated Poresupporting

confidence: 91%

Kinetic Accessibility of Porous Material Adsorption Sites Studied through the Lattice Boltzmann Method

et al. 2017

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“…For example, various slip models have been used to describe the slippage effect on the pore walls [20][21][22][23]. In addition to the non-classical flow behaviors, prior research also indicated that the Knudsen diffusion can dominate the transport process in nanopores when the Knudsen number is large because the collisions between gas molecules and pore wall are more frequent than collisions between gas molecules [24][25][26][27][28]. These insights are highly relevant to the gas transport in shale gas formations.…”

Section: Introductionmentioning

confidence: 99%

Superdiffusive gas recovery from nanopores

Qiao

2016

Phys. Rev. Fluids

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Understanding the recovery of gas from reservoirs featuring pervasive nanopores is essential for effective shale gas extraction. Classical theories cannot accurately predict such gas recovery and many experimental observations are not well understood. Here we report molecular simulations of the recovery of gas from single nanopores, explicitly taking into account molecular gas-wall interactions. We show that, in very narrow pores, the strong gas-wall interactions are essential in determining the gas recovery behavior both quantitatively and qualitatively. These interactions cause the total diffusion coefficients of the gas molecules in nanopores to be smaller than those predicted by kinetic theories, hence slowing down the rate of gas recovery. These interactions also lead to significant adsorption of gas molecules on the pore walls. Because of the desorption of these gas molecules during gas recovery, the gas recovery from the nanopore does not exhibit the usual diffusive scaling law (i.e., the accumulative recovery scales as R ∼ t 1/2 but follows a super-diffusive scaling law R ∼ t n (n > 0.5), which is similar to that observed in some field experiments. For the system studied here, the super-diffusive gas recovery scaling law can be captured well by continuum models in which the gas adsorption and desorption from pore walls are taken into account using the Langmuir model. a Article accepted by Phys. Rev. Fluids †

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“…Several descriptions and extensions of this method have since been proposed for various applications, see e.g. [33,35,36,[43][44][45][46]. In the present work, we show that this method can be used for charged mobile (hence experiencing diffusion, advection and migration) and adsorbing/desorbing species -a combination of features which had to date not been investigated previously despite its relevance in the many contexts described in the introduction.…”

Section: Moment Propagationmentioning

confidence: 60%

Moment propagation method for the dynamics of charged adsorbing/desorbing species at solid-liquid interfaces

2018

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We extend the Moment Propagation method to capture the combined effects of adsorption/desorption of charged tracers, their migration under local and applied electric fields, as well as their advection by the local velocity of the fluid. This is achieved by combining previous developments for the separate description of these phenomena, in particular taking advantage of the Lattice Boltzmann Electrokinetics method to capture electrokinetic effects in the underlying fluid. We validate the method on the case of dispersion by an electro-osmotic flow in a slit-pore with charged walls and counterions in the absence of added salt. We compute the velocity auto-correlation function of charged and neutral tracers, from which we extract their average mobility and dispersion coefficient. Analytical results for the former allow to validate the algorithm, while the latter illustrates an example of property which can be provided by the Moment Propagation method when no analytical results are available. For both properties, we discuss the combined effects of the surface charge, of the tracer valency and of the adsorption/desorption rates.

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Unexpected coupling between flow and adsorption in porous media

Cited by 28 publications

References 36 publications

Kinetic Accessibility of Porous Material Adsorption Sites Studied through the Lattice Boltzmann Method

Kinetic Accessibility of Porous Material Adsorption Sites Studied through the Lattice Boltzmann Method

Superdiffusive gas recovery from nanopores

Moment propagation method for the dynamics of charged adsorbing/desorbing species at solid-liquid interfaces

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