arXiv subjects

Marco Dentz

Publications and source records attributed to Marco Dentz.

At least 37 records · Page 2Linked to original sources

arXiv2023

Diffusiophoresis and medium structure control macroscopic particle transport in porous media

In this letter, we show that pore-scale diffusiophoresis of colloidal particles along local salt gradients manifests in the macroscopic dispersion of particles in a porous medium. Despite is transient character, this microscopic phenomenon controls large-scale particle transport by altering their partitioning between transmitting and dead-end pores. It determines the distribution of residence and arrival times in the medium. Depending on the diffusiophoretic mobility, particles can be mobilized from or trapped in dead-end pores, which provides a means for the controlled manipulation of particles in porous media.

cond-mat.soft↗

arXiv2022

Dispersion of motile bacteria in a porous medium

Understanding flow and transport of bacteria in porous media is crucial to technologies such as bioremediation, biomineralization or enhanced oil recovery. While physicochemical bacteria filtration is well-documented, recent studies showed that bacterial motility plays a key role in the transport process. Flow and transport experiments performed in microfluidic chips containing randomly placed obstacles confirmed that the distributions of non-motile particles stays compact, whereas for the motile strains, the distributions are characterized by both significant retention as well as fast downstream motion. For motile bacteria, the detailed microscopic study of individual bacteria trajectories reveals two salient features: (i) the emergence of an active retention process triggered by motility, (ii) enhancement of dispersion due to the exchange between fast flow channels and low flow regions in the vicinity of the solid grains. We propose a physical model based on a continuous time random walk approach. This approach accounts for bacteria dispersion via variable pore-scale flow velocities through a Markov model for equidistant particle speeds. Motility of bacteria is modeled by a two-rate trapping process that accounts for the motion towards and active trapping at the obstacles. This approach captures the forward tails observed for the distribution of bacteria displacements, and quantifies an enhanced hydrodynamic dispersion effect that originates in the interaction between flow at the pore-scale and bacterial motility. The model reproduces the experimental observations, and predicts bacteria dispersion and transport at the macroscale.

cond-mat.soft↗

arXiv2021

Structure induced vortices control anomalous dispersion in porous media

Natural porous systems, such as soil, membranes, and biological tissues comprise disordered structures characterized by dead-end pores connected to a network of percolating channels. The release and dispersion of particles, solutes, and microorganisms from such features is key for a broad range of environmental and medical applications including soil remediation, drug delivery and filtration. Yet, the role of microscopic structure and flow for the dispersion of particles and solutes in such disordered systems has been only poorly understood, in part due to the stagnant and opaque nature of these microscopic systems. Here, we use a microfluidic model system that features a pore structure characterized by dead-ends to determine how particles are transported, retained and dispersed. We observe strong tailing of arrival time distributions at the outlet of the medium characterized by power-law decay with an exponent of 2/3. Using numerical simulations and an analytical model, we link this behavior to particles initially located within dead-end pores, and explain the tailing exponent with a hopping and rolling mechanism along the streamlines inside vortices within dead-end pores. These dynamics are quantified by a stochastic model that predicts the full evolution of arrival times. Our results demonstrate how microscopic flow structures can impact macroscopic particle transport.

physics.flu-dyn↗

arXiv2021

Pore-scale Mixing and the Evolution of Hydrodynamic Dispersion in Porous Media

We study the interplay of pore-scale mixing and network-scale advection through heterogeneous porous media, and its role for the evolution and asymptotic behavior of hydrodynamic dispersion. In a Lagrangian framework, we identify three fundamental mechanisms of pore-scale mixing that determine large scale particle motion, namely, the smoothing of intra-pore velocity contrasts, the increase of the tortuosity of particle paths, and the setting of a maximum time for particle transitions. Based on these mechanisms, we derive a theory that predicts anomalous and normal hydrodynamic dispersion based on the characteristic pore length, Eulerian velocity distribution and Péclet number.

physics.flu-dyn↗

arXiv2020

Heterogeneous Multi-Rate mass transfer models in OpenFOAM

We implement the Multi-Rate Mass Transfer (MRMT) model for mobile-immobile transport in porous media within the open-source finite volume library \textsc{OpenFOAM}\reg \citep{Foundation2014}. Unlike other codes available in the literature [Geiger, S., Dentz, M., Neuweiler, I., SPE Reservoir Characterisation and Simulation Conference and Exhibition (2011); Silva, O., Carrera, J., Dentz, M., Kumar, S., Alcolea, A., Willmann, M., Hydrology and Earth System Sciences 13, (2009)], we propose an implementation that can be applied to complex three-dimensional geometries and highly heterogeneous fields, where the parameters of the MRMT can arbitrarily vary in space. Furthermore, being built over the widely diffused OpenFOAM\reg library, it can be easily extended and included in other models, and run in parallel. We briefly describe the structure of the < multiContinuumModels > library that includes the formulation of the MRMT based on the works of [Haggerty, R., Gorelick, S.M., Water Resources Research 31, (1995)] and [F. Municchi and M. Icardi Phys. Rev. Research 2, 013041, (2020)]. The implementation is verified against benchmark solutions and tested on two- and three-dimensional random permeability fields. The role of various physical and numerical parameters, including the transfer rates, the heterogeneities, and the number of terms in the MRMT expansions is investigated. Finally, we illustrate the significant role played by heterogeneity in the mass transfer when permeability and porosity are represented using Gaussian random fields.

physics.comp-ph↗

arXiv2020

Transport under advective trapping

Advective trapping occurs when solute enters low velocity zones in heterogeneous porous media. Classical local modeling approaches combine the impact of slow advection and diffusion into a hydrodynamic dispersion coefficient and many temporally non-local approaches lump these mechanisms into a single memory function. This joint treatment makes parameterization difficult and thus prediction of large scale transport a challenge. Here we investigate the mechanisms of advective trapping and their impact on transport in media composed of a high conductivity background and isolated low permeability inclusions. Breakthrough curves show that effective transport changes from a streamtube-like behavior to genuine random trapping as the degree of disorder of the inclusion arrangement increases. We upscale this behavior using a Lagrangian view point, in which idealized solute particles transition over a fixed distance at random advection times combined with Poissonian advective trapping events. We discuss the mathematical formulation of the upscaled model in the continuous time random walk and mobile-immobile mass transfer frameworks, and derive a model for large scale solute non-Fickian dispersion. These findings give new insight into transport in highly heterogeneous media.

physics.flu-dyn↗

arXiv2020

Probability density function (PDF) models for particle transport in porous media

Mathematical models based on probability density functions (PDF) have been extensively used in hydrology and subsurface flow problems, to describe the uncertainty in porous media properties (e.g., permeability modelled as random field). Recently, closer to the spirit of PDF models for turbulent flows, some approaches have used this statistical viewpoint also in pore-scale transport processes (fully resolved porous media models). When a concentration field is transported, by advection and diffusion, in a heterogeneous media, in fact, spatial PDFs can be defined to characterise local fluctuations and improve or better understand the closures performed by classical upscaling methods. In the study of hydrodynamical dispersion, for example, PDE-based PDF approach can replace expensive and noisy Lagrangian simulations (e.g. trajectories of drift-diffusion stochastic processes). In this work we derive a joint position-velocity Fokker-Planck equation to model the motion of particles undergoing advection and diffusion in in deterministic or stochastic heterogeneous velocity fields. After appropriate closure assumptions, this description can help deriving rigorously stochastic models for the statistics of Lagrangian velocities. This is very important to be able to characterise the dispersion properties and can, for example, inform velocity evolution processes in Continuous Time Random Walk (CTRW) dispersion models. The closure problem that arises when averaging the Fokker Planck equation shows also interesting similarities with the mixing problem and can be used to propose alternative closures for anomalous dispersion.

physics.flu-dyn↗

arXiv2019

Unified approach to reset processes and application to coupling between process and reset

We present a unified approach to those observables of stochastic processes under reset that take the form of averages of functionals depending on the most recent renewal period. We derive solutions for the observables, and determine the conditions for existence and equality of their stationary values with and without reset. For intermittent reset times, we derive exact asymptotic expressions for observables that vary asymptotically as a power of time. We illustrate the general approach with general and particular results for the power spectral density, and moments of subdiffusive processes. We focus on coupling of the process and reset via a diffusion-decay process with microscopic dependence between transport and decay. In contrast to the uncoupled case, we find that restarting the particle upon decay does not produce a probability current equal to the decay rate, but instead drastically alters the time dependence of the decay rate and the resulting current.

cond-mat.soft↗

arXiv2018

A Coupled Time Domain Random Walk Approach for Transport in Media Characterized by Broadly-distributed Heterogeneity Length Scales

We develop a time domain random walk approach for conservative solute transport in heterogeneous media where medium properties vary over a distribution of length scales. The spatial transition lengths are equal to the heterogeneity length scales, and thus determined by medium geometry. We derive analytical expressions for the associated transition times and probabilities in one spatial dimension. This approach determines the coarse-grained solute concentration at the interfaces between regions; we derive a generalized master equation for the evolution of the coarse-grained concentration and reconstruct the fine-scale concentration using the propagator of the subscale transport mechanism. The performance of this approach is demonstrated for diffusion under random retardation in power-law media characterized by heavy-tailed lengthscale and retardation distributions. The coarse representation preserves the correct late-time scaling of concentration variance, and the reconstructed fine-scale concentration is essentially identical to that obtained by direct numerical simulation by random walk particle tracking.

physics.flu-dyn↗

arXiv2018

Mechanisms of Dispersion in a Porous Medium

This paper studies the mechanisms of dispersion in the laminar flow through the pore space of a $3$-dimensional porous medium. We focus on pre-asymptotic transport prior to the asymptotic hydrodynamic dispersion regime, in which solute motion may be described by the average flow velocity and a hydrodynamic dispersion coefficient. High performance numerical flow and transport simulations of solute breakthrough at the outlet of a sand-like porous medium evidence marked deviations from the hydrodynamic dispersion paradigm and identifies two distinct regimes. The first regime is characterized by a broad distribution of advective residence times in single pores. The second regime is characterized by diffusive mass transfer into low-velocity region in the wake of solute grains. These mechanisms are quantified systematically in the framework of a time-domain random walk for the motion of marked elements (particles) of the transported material quantity. The model is parameterized with the characteristics of the porous medium under consideration and captures both pre-asymptotic regimes. Macroscale transport is described by an integro-differential equation for solute concentration, whose memory kernels are given in terms of the distribution of mean pore velocities and trapping times. This approach quantifies the physical non-equilibrium caused by a broad distribution of mass transfer time scales, both advective and diffusive, on the representative elementary volume (REV). Thus, while the REV indicates the scale at which medium properties like porosity can be uniquely defined, this does not imply that transport can be characterized by hydrodynamic dispersion.

physics.flu-dyn↗

arXiv2017

Mixing across fluid interfaces compressed by convective flow in porous media

We study the mixing in the presence of convective flow in a porous medium. Convection is characterized by the formation of vortices and stagnation points, where the fluid interface is stretched and compressed enhancing mixing. We analyze the behavior of the mixing dynamics in different scenarios using an interface deformation model. We show that the scalar dissipation rate, which is related to the dissolution fluxes, is controlled by interfacial processes, specifically the equilibrium between interface compression and diffusion, which depends on the flow field configuration. We consider different scenarios of increasing complexity. First, we analyze a double-gyre synthetic velocity field. Second, a Rayleigh-Bénard instability (the Horton-Rogers-Lapwood problem), in which stagnation points are located at a fixed interface. This system experiences a transition from a diffusion controlled mixing to a chaotic convection as the Rayleigh number increases. Finally, a Rayleigh-Taylor instability with a moving interface, in which mixing undergoes three different regimes: diffusive, convection dominated, and convection shutdown. The interface compression model correctly predicts the behavior of the systems. It shows how the dependency of the compression rate on diffusion explains the change in the scaling behavior of the scalar dissipation rate. The model indicates that the interaction between stagnation points and the correlation structure of the velocity field is also responsible for the transition between regimes. We also show the difference in behavior between the dissolution fluxes and the mixing state of the systems. We observe that while the dissolution flux decreases with the Rayleigh number, the system becomes more homogeneous. That is, mixing is enhanced by reducing diffusion. This observation is explained by the effect of the instability patterns.

physics.flu-dyn↗

arXiv2017

Chemical continuous time random walks

Kinetic Monte Carlo methods such as the Gillespie algorithm model chemical reactions as random walks in particle number space. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing on chemical reactions, and in general stochastic reaction delay, which may represent the impact of extrinsic noise. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical master equation. This leads naturally to a generalization of the Gillespie algorithm. Based on this formalism, we determine the modified chemical rate laws for different inter-reaction time distributions. This framework traces Michaelis--Menten-type kinetics back to finite-mean delay times, and predicts time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

cond-mat.stat-mech↗

arXiv2017

Anomalous dispersion in correlated porous media: A coupled continuous time random walk approach

We study the causes of anomalous dispersion in Darcy-scale porous media characterized by spatially heterogeneous hydraulic properties. Spatial variability in hydraulic conductivity leads to spatial variability in the flow properties through Darcy's law and thus impacts on solute and particle transport. We consider purely advective transport in heterogeneity scenarios characterized by broad distributions of heterogeneity length scales and point values. Particle transport is characterized in terms of the stochastic properties of equidistantly sampled Lagrangian velocities, which are determined by the flow and conductivity statistics. The persistence length scales of flow and transport velocities are imprinted in the spatial disorder and reflect the distribution of heterogeneity length scales. Particle transitions over the velocity length scales are kinematically coupled with the transition time through velocity. We show that the average particle motion follows a coupled continuous time random walk (CTRW), which is fully parameterized by the distribution of flow velocities and the medium geometry in terms of the heterogeneity length scales. The coupled CTRW provides a systematic framework for the investigation of the origins of anomalous dispersion in terms of heterogeneity correlation and the distribution of heterogeneity point values. Broad distributions of heterogeneity point values and lengths scales may lead to very similar dispersion behaviors in terms of the spatial variance. Their mechanisms, however are very different, which manifests in the distributions of particle positions and arrival times, which plays a central role for the prediction of the fate of dissolved substances in heterogeneous natural and engineered porous materials.

physics.flu-dyn↗

arXiv2017

Reaction-diffusion with stochastic decay rates

Understanding anomalous transport and reaction kinetics due to microscopic physical and chemical disorder is a long-standing goal in many fields including geophysics, biology, and engineering. We consider reaction-diffusion characterized by fluctuations in both transitions times and decay rates. We introduce and analyze a model framework that explicitly connects microscopic fluctuations with the mescoscopic description. For broad distributions of transport and reaction time scales we compute the particle density and derive the equations governing its evolution, finding power-law decay of the survival probability, and spatially heterogeneous decay that leads to subdiffusion and an asymptotically stationary surviving-particle density. These anomalies are clearly attributable to non-Markovian effects that couple transport and chemical properties in both reaction and diffusion terms.

cond-mat.soft↗

arXiv2017

Anomalous transport in disordered fracture networks: spatial Markov model for dispersion with variable injection modes

We investigate tracer transport on random discrete fracture networks that are characterized by the statistics of the fracture geometry and hydraulic conductivity. While it is well known that tracer transport through fractured media can be anomalous and particle injection modes can have major impact on dispersion, the incorporation of injection modes into effective transport modelling has remained an open issue. The fundamental reason behind this challenge is that---even if the Eulerian fluid velocity is steady---the Lagrangian velocity distribution experienced by tracer particles evolves with time from its initial distribution, which is dictated by the injection mode, to a stationary velocity distribution. We quantify this evolution by a Markov model for particle velocities that are equidistantly sampled along trajectories. This stochastic approach allows for the systematic incorporation of the initial velocity distribution and quantifies the interplay between velocity distribution and spatial and temporal correlation. The proposed spatial Markov model is characterized by the initial velocity distribution, which is determined by the particle injection mode, the stationary Lagrangian velocity distribution, which is derived from the Eulerian velocity distribution, and the spatial velocity correlation length, which is related to the characteristic fracture length. This effective model leads to a time-domain random walk for the evolution of particle positions and velocities, whose joint distribution follows a Boltzmann equation. Finally, we demonstrate that the proposed model can successfully predict anomalous transport through discrete fracture networks with different levels of heterogeneity and arbitrary tracer injection modes.

physics.flu-dyn↗

arXiv2016

Continuous Time Random Walks for Non-Local Radial Solute Transport

This paper derives and analyzes continuous time random walk (CTRW) models in radial flow geometries for the quantification of non-local solute transport induced by heterogeneous flow distributions and by mobile-immobile mass transfer processes. To this end we derive a general CTRW framework in radial coordinates starting from the random walk equations for radial particle positions and times. The particle density, or solute concentration is governed by a non-local radial advection-dispersion equation (ADE). Unlike in CTRWs for uniform flow scenarios, particle transition times here depend on the radial particle position, which renders the CTRW non-stationary. As a consequence, the memory kernel characterizing the non-local ADE, is radially dependent. Based on this general formulation, we derive radial CTRW implementations that (i) emulate non-local radial transport due to heterogeneous advection, (ii) model multirate mass transfer (MRMT) between mobile and immobile continua, and (iii) quantify both heterogeneous advection in a mobile region and mass transfer between mobile and immobile regions. The expected solute breakthrough behavior is studied using numerical random walk particle tracking simulations. This behavior is analyzed by explicit analytical expressions for the asymptotic solute breakthrough curves. We observe clear power-law tails of the solute breakthrough for broad (power-law) distributions of particle transit times (heterogeneous advection) and particle trapping times (MRMT model). The combined model displays two distinct time regimes. An intermediate regime, in which the solute breakthrough is dominated by the particle transit times in the mobile zones, and a late time regime that is governed by the distribution of particle trapping times in immobile zones.

physics.flu-dyn↗

arXiv2016

Multi-rate mass transfer modeling of two-phase flow in highly heterogeneous fractured and porous media

We study modeling of two-phase flow in highly heterogeneous fractured and porous media. The flow behaviour is strongly influenced by mass transfer between a highly permeable (mobile) fracture domain and less permeable (immobile) matrix blocks. We quantify the effective two-phase flow behaviour using a multirate rate mass transfer (MRMT) approach. We discuss the range of applicability of the MRMT approach in terms of the pertinent viscous and capillary diffusion time scales. We scrutinize the linearization of capillary diffusion in the immobile regions, which allows for the formulation of MRMT in the form of a non-local single equation model. The global memory function, which encodes mass transfer between the mobile and the immobile regions, is at the center of this method. We propose two methods to estimate the global memory function for a fracture network with given fracture and matrix geometry. Both employ a scaling approach based on the known local memory function for a given immobile region. With the first method, the local memory function is calculated numerically, while the second one employs a parametric memory function in form of truncated power-law. The developed concepts are applied and tested for fracture networks of different complexity. We find that both physically based parameter estimation methods for the global memory function provide predictive MRMT approaches for the description of multiphase flow in highly heterogeneous porous media.

physics.flu-dyn↗

arXiv2016

Pictures of Blockscale Transport: Effective versus Ensemble Dispersion and Its Uncertainty

Using a Lagrangian framework, we discuss different conceptualizations of the blockscale dispersion tensor. We distinguish effective and ensemble blockscale dispersion, which measure the impact of subscale velocity fluctuations on solute dispersion. Ensemble dispersion quantifies subscale velocity fluctuations between realizations, which overestimates the actual velocity variability. Effective dispersion on the other hand quantifies the actual blockscale velocity variability and thus reflects the impact of subscale velocity fluctuations on mixing and spreading. Based on these concepts, we quantify the impact of subscale velocity fluctuations on solute particle spreading and determine the governing equations for the coarse-grained concentration distributions. We develop analytical and semi-analytical expressions for the average and variance of the blockscale dispersion tensor in 3D flow fields as a function of the structural parameters characterizing the subsurface. Our results illustrate the relevance of the blockscale, the initial scale of the solute body and local-scale dispersion in controlling the uncertainty of the plume's dispersive behavior. The analysis performed in this work has implications in numerical modeling (i.e. grid design) and allows to quantify the uncertainty of the blockscale dispersion tensor.

physics.flu-dyn↗