Pore-scale mass and reactant transport in multiphase porous media flows

Reactive processes associated with multiphase flows play a significant role in mass transport in unsaturated porous media. For example, the effect of reactions on the solid matrix can affect the formation and stability of fingering instabilities associated with the invasion of a buoyant non-wetting fluid. In this study, we focus on the formation and stability of capillary channels of a buoyant non-wetting fluid (developed because of capillary instabilities) and their impact on the transport and distribution of a reactant in the porous medium. We use a combination of pore-scale numerical calculations based on a multiphase reactive lattice Boltzmann model (LBM) and scaling laws to quantify (i)the effect of dissolution on the preservation of capillary instabilities, (ii)the penetration depth of reaction beyond the dissolution/melting front, and (iii)the temporal and spatial distribution of dissolution/melting under different conditions (concentration of reactant in the non-wetting fluid, injection rate). Our results show that, even for tortuous non-wetting fluid channels, simple scaling laws assuming an axisymmetrical annular flow can explain (i)the exponential decay of reactant along capillary channels, (ii)the dependence of the penetration depth of reactant on a local Péclet number (using the non-wetting fluid velocity in the channel) and more qualitatively (iii)the importance of the melting/reaction efficiency on the stability of non-wetting fluid channels. Our numerical method allows us to study the feedbacks between the immiscible multiphase fluid flow and a dynamically evolving porous matrix (dissolution or melting) which is an essential component of reactive transport in porous medi

Automatic grid refinement criterion for lattice Boltzmann method

In all kinds of engineering problems, and in particular in methods for computational fluid dynamics based on regular grids, local grid refinement is of crucial importance. To save on computational expense, many applications require to resolve a wide range of scales present in a numerical simulation by locally adding more mesh points. In general, the need for a higher (or a lower) resolution is not known a priori, and it is therefore difficult to locate areas for which local grid refinement is required. In this paper, we propose a novel algorithm for the lattice Boltzmann method, based on physical concepts, to automatically construct a pattern of local refinement. We apply the idea to the two-dimensional lid-driven cavity and show that the automatically refined grid can lead to results of equal quality with less grid points, thus sparing computational resources and time. The proposed automatic grid refinement strategy has been implemented in the parallel open-source library Palabos

Pair Contact Process with Diffusion: Failure of Master Equation Field Theory

We demonstrate that the `microscopic' field theory representation, directly derived from the corresponding master equation, fails to adequately capture the continuous nonequilibrium phase transition of the Pair Contact Process with Diffusion (PCPD). The ensuing renormalization group (RG) flow equations do not allow for a stable fixed point in the parameter region that is accessible by the physical initial conditions. There exists a stable RG fixed point outside this regime, but the resulting scaling exponents, in conjunction with the predicted particle anticorrelations at the critical point, would be in contradiction with the positivity of the equal-time mean-square particle number fluctuations. We conclude that a more coarse-grained effective field theory approach is required to elucidate the critical properties of the PCPD.Comment: revtex, 8 pages, 1 figure include

Application of the multi distribution function lattice Boltzmann approach to thermal flows

Numerical methods able to model high Rayleigh (Ra) and high Prandtl (Pr) number thermal convection are important to study large-scale geophysical phenomena occuring in very viscous fluids such as magma chamber dynamics (104 < Pr < 107 and 107 < Ra < 1011). The important variable to quantify the thermal state of a convective fluid is a generalized dimensionless heat transfer coefficient (the Nusselt number) whose measure indicates the relative efficiency of the thermal convection. In this paper we test the ability of Multi-distribution Function approach (MDF) Thermal Lattice Boltzmann method to study the well-established scaling result for the Nusselt number (Nu ∝ Ra 1/3) in Rayleigh Bénard convection for 104 ≤ Ra ≤ 109 and 101 ≤ Pr ≤ 104. We explore its main drawbacks in the range of Pr and Ra number under investigation: (1) high computational time N c required for the algorithm to converge and (2) high spatial accuracy needed to resolve the thickness of thermal plumes and both thermal and velocity boundary layer. We try to decrease the computational demands of the method using a multiscale approach based on the implicit dependence of the Pr number on the relaxation time, the spatial and temporal resolution characteristic of the MDF thermal mode

Localization-delocalization transition of a reaction-diffusion front near a semipermeable wall

The A+B --> C reaction-diffusion process is studied in a system where the reagents are separated by a semipermeable wall. We use reaction-diffusion equations to describe the process and to derive a scaling description for the long-time behavior of the reaction front. Furthermore, we show that a critical localization-delocalization transition takes place as a control parameter which depends on the initial densities and on the diffusion constants is varied. The transition is between a reaction front of finite width that is localized at the wall and a front which is detached and moves away from the wall. At the critical point, the reaction front remains at the wall but its width diverges with time [as t^(1/6) in mean-field approximation].Comment: 7 pages, PS fil

Local Unitary Quantum Cellular Automata

In this paper we present a quantization of Cellular Automata. Our formalism is based on a lattice of qudits, and an update rule consisting of local unitary operators that commute with their own lattice translations. One purpose of this model is to act as a theoretical model of quantum computation, similar to the quantum circuit model. It is also shown to be an appropriate abstraction for space-homogeneous quantum phenomena, such as quantum lattice gases, spin chains and others. Some results that show the benefits of basing the model on local unitary operators are shown: universality, strong connections to the circuit model, simple implementation on quantum hardware, and a wealth of applications.Comment: To appear in Physical Review

Formation of Liesegang patterns: A spinodal decomposition scenario

Spinodal decomposition in the presence of a moving particle source is proposed as a mechanism for the formation of Liesegang bands. This mechanism yields a sequence of band positions x_n that obeys the spacing law x_n~Q(1+p)^n. The dependence of the parameters p and Q on the initial concentration of the reagents is determined and we find that the functional form of p is in agreement with the experimentally observed Matalon-Packter law.Comment: RevTex, 4 pages, 4 eps figure