A continuum model of multi-phase reactive transport in igneous systems

Multi-phase reactive transport processes are ubiquitous in igneous systems. A challenging aspect of modelling igneous phenomena is that they range from solid-dominated porous to liquid-dominated suspension flows and therefore entail a wide spectrum of rheological conditions, flow speeds, and length scales. Most previous models have been restricted to the two-phase limits of porous melt transport in deforming, partially molten rock and crystal settling in convecting magma bodies. The goal of this paper is to develop a framework that can capture igneous system from source to surface at all phase proportions including not only rock and melt but also an exsolved volatile phase. Here, we derive an n-phase reactive transport model building on the concepts of Mixture Theory, along with principles of Rational Thermodynamics and procedures of Non-equilibrium Thermodynamics. Our model operates at the macroscopic system scale and requires constitutive relations for fluxes within and transfers between phases, which are the processes that together give rise to reactive transport phenomena. We introduce a phase- and process-wise symmetrical formulation for fluxes and transfers of entropy, mass, momentum, and volume, and propose phenomenological coefficient closures that determine how fluxes and transfers respond to mechanical and thermodynamic forces. Finally, we demonstrate that the known limits of two-phase porous and suspension flow emerge as special cases of our general model and discuss some ramifications for modelling pertinent two- and three-phase flow problems in igneous systems.Comment: Revised preprint submitted for peer-reviewed publication: main text with 8 figures, 1 table; appendix with 3 figures and 2 table

Finite element analysis of non-isothermal multiphase porous media in dynamics

This work presents a mathematical and a numerical model for the analysis of the thermo-hydro-mechanical (THM) behavior of multiphase deformable porous materials in dynamics. The fully coupled governing equations are developed within the Hybrid Mixture Theory. To analyze the THM behavior of soil structures in the low frequency domain, e.g. under earthquake excitation, the u-p-T formulation is advocated by neglecting the relative acceleration of the fluids and their convective terms. The standard Bubnov-Galerkin method is applied to the governing equations for the spatial discretization, whereas the generalized Newmark scheme is used for the time discretization. The final non-linear and coupled system of algebraic equations is solved by the Newton method within the monolithic approach. The formulation and the implemented solution procedure are validated through the comparison with other finite element solutions or analytical solutions

A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and fluid-solid interactions in nano- to micro-scale shale pores, which are physically and chemically sophisticated, must be captured. To address those challenges, we present a GPU-accelerated package for simulation of flow in nano- to micro-pore networks with a many-body dissipative particle dynamics (mDPD) mesoscale model. Based on a fully distributed parallel paradigm, the code offloads all intensive workloads on GPUs. Other advancements, such as smart particle packing and no-slip boundary condition in complex pore geometries, are also implemented for the construction and the simulation of the realistic shale pores from 3D nanometer-resolution stack images. Our code is validated for accuracy and compared against the CPU counterpart for speedup. In our benchmark tests, the code delivers nearly perfect strong scaling and weak scaling (with up to 512 million particles) on up to 512 K20X GPUs on Oak Ridge National Laboratory's (ORNL) Titan supercomputer. Moreover, a single-GPU benchmark on ORNL's SummitDev and IBM's AC922 suggests that the host-to-device NVLink can boost performance over PCIe by a remarkable 40\%. Lastly, we demonstrate, through a flow simulation in realistic shale pores, that the CPU counterpart requires 840 Power9 cores to rival the performance delivered by our package with four V100 GPUs on ORNL's Summit architecture. This simulation package enables quick-turnaround and high-throughput mesoscopic numerical simulations for investigating complex flow phenomena in nano- to micro-porous rocks with realistic pore geometries

The XDEM Multi-physics and Multi-scale Simulation Technology: Review on DEM-CFD Coupling, Methodology and Engineering Applications

The XDEM multi-physics and multi-scale simulation platform roots in the Ex- tended Discrete Element Method (XDEM) and is being developed at the In- stitute of Computational Engineering at the University of Luxembourg. The platform is an advanced multi- physics simulation technology that combines flexibility and versatility to establish the next generation of multi-physics and multi-scale simulation tools. For this purpose the simulation framework relies on coupling various predictive tools based on both an Eulerian and Lagrangian approach. Eulerian approaches represent the wide field of continuum models while the Lagrange approach is perfectly suited to characterise discrete phases. Thus, continuum models include classical simulation tools such as Computa- tional Fluid Dynamics (CFD) or Finite Element Analysis (FEA) while an ex- tended configuration of the classical Discrete Element Method (DEM) addresses the discrete e.g. particulate phase. Apart from predicting the trajectories of individual particles, XDEM extends the application to estimating the thermo- dynamic state of each particle by advanced and optimised algorithms. The thermodynamic state may include temperature and species distributions due to chemical reaction and external heat sources. Hence, coupling these extended features with either CFD or FEA opens up a wide range of applications as diverse as pharmaceutical industry e.g. drug production, agriculture food and processing industry, mining, construction and agricultural machinery, metals manufacturing, energy production and systems biology

Sedimentation and Flow Through Porous Media: Simulating Dynamically Coupled Discrete and Continuum Phases

We describe a method to address efficiently problems of two-phase flow in the regime of low particle Reynolds number and negligible Brownian motion. One of the phases is an incompressible continuous fluid and the other a discrete particulate phase which we simulate by following the motion of single particles. Interactions between the phases are taken into account using locally defined drag forces. We apply our method to the problem of flow through random media at high porosity where we find good agreement to theoretical expectations for the functional dependence of the pressure drop on the solid volume fraction. We undertake further validations on systems undergoing gravity induced sedimentation.Comment: 22 pages REVTEX, figures separately in uudecoded, compressed postscript format - alternatively e-mail '[email protected]' for hardcopies

Microfluidic Pore Model Study on Physical and Geomechanical Factors Influencing Fluid Flow Behavior in Porous Media

Fluid flow in porous media is a subject of fundamental importance and relevant to numerous engineering applications. The comprehensive description of fluid interaction parameters containing wetting properties, fluid-fluid displacement ratio, and capillary pressure, are inevitably needed. Moreover, the fine-grained sediments’ response to various pore fluids and migration in porous media influences reservoir geomechanical properties and pore clogging is essential to a better understanding of fluids flow behavior. This dissertation provides a detailed study of physical and geomechanical factors influencing fluids flow behavior in porous media. The two-dimensional micromodel tests have been conducted under a wide selection of fluids flow conditions. The experiments combined with pore network modeling are added to predict the fluid-fluid displacement ratio and capillary curves regarding different fluids. The fines’ geomechanical properties such as electrical sensitivity, compressibility, and hydraulic conductivity, together with pore plugging criteria are measured through various experiments including sedimentation, electrical sensitivity, and consolidation tests. Results of this research show that increase in injection fluid velocity, viscosity, contact angle, and a decrease in fluid’s interfacial tension can result in higher viscosity and capillary numbers, which leads to an improvement of the fluid-fluid displacement ratio in porous media. Experiments with the subsequently conducted simulation corroborate a higher capillary pressure is expected with a decrease in contact angle and an increase in interfacial tension. Meanwhile, estimation of capillary pressure can be achieved with measured fluids’ wetting properties at different stress levels. Besides, the findings indicate that fine sediments’ geomechanical properties and clogging criteria can be altered due to fines’ response to distinct pore fluids. The geomechanical properties of the different fine sediments also vary with pore fluid chemistry changes. And, fines clogging in porous media is observed under conditions of a lower pore throat width/fine size ratio, a higher fine concentration, a relatively higher flow rate, and the changed pore fluids. Additionally, the presence of a moving gas/liquid meniscus increases the fines clogging potential. In summary, an understanding of fluids’ physical and geomechanical properties, in addition to an identification of fines influences, can help to evaluate the performance of fluids flow in porous media

Advances and challenges in shale oil development: A critical review

    Different from the conventional oil reservoirs, the primary storage space of shale is micro/nano pore networks. Moreover, the multiscale and multi-minerals characteristics of shale also attract increasing attentions from researchers. In this work, the advances and challenges in the development of shale oil are summarized from following aspects: phase behavior, flow mechanisms, reservoir numerical simulation and production optimization. The phase behavior of fluids confined in shale nanopores are discussed on the basis of theoretical calculations, experiments, and molecular simulations. The fluid transport mechanisms through shale matrix are analyzed in terms of molecular dynamics, pore scale simulations, and experimental studies. The methods employed in fracture propagation simulation and production optimization of shale oil are also introduced. Clarifying the problems of current research and the need for future studies are conducive to promoting the scientific and effective development of shale oil resources.Cited as: Feng, Q., Xu, S., Xing, X., Zhang, W., Wang, S. Advances and challenges in shale oil development: A critical review. Advances in Geo-Energy Research, 2020, 4(4), 406-418, doi: 10.46690/ager.2020.04.0