Lattice Boltzmann simulation of shale gas transport in organic nano-pores.
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ABSTRACT: Permeability is a key parameter for investigating the flow ability of sedimentary rocks. The conventional model for calculating permeability is derived from Darcy's law, which is valid only for continuum flow in porous rocks. We discussed the feasibility of simulating methane transport characteristics in the organic nano-pores of shale through the Lattice Boltzmann method (LBM). As a first attempt, the effects of high Knudsen number and the associated slip flow are considered, whereas the effect of adsorption in the capillary tube is left for future work. Simulation results show that at small Knudsen number, LBM results agree well with Poiseuille's law, and flow rate (flow capacity) is proportional to the square of the pore scale. At higher Knudsen numbers, the relaxation time needs to be corrected. In addition, velocity increases as the slip effect causes non negligible velocities on the pore wall, thereby enhancing the flow rate inside the pore, i.e., the permeability. Therefore, the LBM simulation of gas flow characteristics in organic nano-pores provides an effective way of evaluating the permeability of gas-bearing shale.
Project description:Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.
Project description:Analyzing the fluid behavior in complex porous media like gas diffusion layers (GDLs) in polymer electrolyte fuel cells (PEFCs) can be accurately done using the lattice Boltzmann method (LBM). This article shows the data obtained from a study in which diffusion parameters such as porosity, gas phase tortuosity and diffusibility are computed considering simulated porous media [1]. The data were computed when a water drop obstacle is placed inside the GDL domain and the size of the water-drop is varied. Additionally, figures showing the evolution of the flow velocity field are presented alongside graphics that presents the change in local and bulk porosity for each obstacle size. Finally, there is a detailed method explanation concerning the implementation of the lattice Boltzmann method and a general description of computational codes for the domain and obstacle generation as well as the boundary conditions simulation. Data and processes in this article can be exploited in new attempts to solve real case problems in complex mesoscale media.
Project description:Natural gas production from shale formations is one of the most recent and fast growing developments in the oil and gas industry. The accurate prediction of the adsorption and transport of shale gas is essential for estimating shale gas production capacity and improving existing extractions. To realistically represent heterogeneous shale formations, a composite pore model was built from a kaolinite slit mesopore hosting a kerogen matrix. Moreover, empty slabs (2, 3, and 4 nm) were added between the kerogen matrix and siloxane surface of kaolinite. Using Grand-Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations, the adsorption and diffusion of pure methane, pure ethane, and a shale gas mixture were computed at various high pressures (100, 150, and 250 atm) and temperature of 298.15 K. The addition of an inner slit pore was found to significantly increase the excess adsorption of methane, as a pure component and in the shale gas mixture. The saturation of the composite pore with methane was observed to be at a higher pressure compared to ethane. The excess adsorption of carbon dioxide was not largely affected by pressure, and the local number density profile showed its strong affinity to kerogen micropores and the hydroxylated gibbsite surface under all conditions and pore widths. Lateral diffusion coefficients were found to increase with increasing the width of the empty slab inside the composite pore. Statistical errors of diffusion coefficients were found to be large for the case of shale gas components present at low composition. A larger composite pore configuration was created to investigate the diffusion of methane in different regions of the composite pore. The calculated diffusion coefficients and mean residence times were found to be indicative of the different adsorption mechanisms occurring inside the pore.
Project description:The three-dimensional multiple-relaxation-time LB (MRT-LB) and Lagrangian particle tracking methods were applied to simulate turbulent airflow and particle dispersion in a ventilated room with a partition. The turbulent airflow was simulated by large eddy simulation (LES) using the MRT-LB method with the Smagorinsky model. This method was verified by comparing it with experimental and other numerical results. Good agreement was observed between airflow simulation and experimental data. It is also demonstrated that the LES carried out by the MRT-LB method can produce airflow results very similar to the RNG LES and provide better prediction than the standard and RNG k-ε models. In order to further improve the efficiency of the MRT-LB method, the multi-block grid refinement (MBGR) technique was used. The accuracy and efficiency of the MBGR and the consistency of physical quantities across the interface were investigated. In simulation of particle dispersion in the model room, particles with diameters of 1 and 10 µm were considered. It is shown that this model can successfully capture dispersion characteristics of particles.
Project description:The synthesis of metal-organic frameworks (MOFs) and their processing into structures with tailored hierarchical porosity is essential for using MOFs in the adsorption-driven gas separation process. We report the synthesis of modified Cu-MOF nanocrystals for CO2 separation from CH4 and N2, prepared from DABCO (1,4-diazabicyclo[2.2.2] octane) and 9,10 anthracene dicarboxylic acid linkers with copper metal salt. The synthesis parameters were optimized to introduce mesoporosity in the microporous Cu-MOF crystals. The volumetric CO2 adsorption capacity of the new hierarchical Cu-MOF was 2.58 mmol g-1 at 293 K and 100 kPa with a low isosteric heat of adsorption of 28 kJ mol-1. The hierarchical Cu-MOF nanocrystals were structured into mechanically stable pellets with a diametral compression strength exceeding 1.2 MPa using polyvinyl alcohol (PVA) as a binder. The CO2 breakthrough curves were measured from a binary CO2-CH4 (45/55 vol%) gas mixture at 293 K and 400 kPa pressure on Cu-MOF pellets to demonstrate the role of hierarchical porosity in mass transfer kinetics during adsorption. The structured hierarchical Cu-MOF pellets showed stable cyclic CO2 adsorption capacity during 5 adsorption-desorption cycles with a CO2 uptake capacity of 3.1 mmol g-1 at 400 kPa and showed a high mass transfer coefficient of 1.8 m s-1 as compared to the benchmark zeolite NaX commercialized binderless granules, suggesting that the introduction of hierarchical porosity in Cu-MOF pellets can effectively reduce the time for CO2 separation cycles.
Project description:The large amount of nanoscale pores in shale results in the inability to apply Darcy's law. Moreover, the gas adsorption of shale increases the complexity of pore size characterization and thus decreases the accuracy of flow regime estimation. In this study, an apparent permeability model, which describes the adsorptive gas flow behavior in shale by considering the effects of gas adsorption, stress dependence, and non-Darcy flow, is proposed. The pore size distribution, methane adsorption capacity, pore compressibility, and matrix permeability of the Barnett and Eagle Ford shales are measured in the laboratory to determine the critical parameters of gas transport phenomena. The slip coefficients, tortuosity, and surface diffusivity are predicted via the regression analysis of the permeability data. The results indicate that the apparent permeability model, which considers second-order gas slippage, Knudsen diffusion, and surface diffusion, could describe the gas flow behavior in the transition flow regime for nanoporous shale. Second-order gas slippage and surface diffusion play key roles in the gas flow in nanopores for Knudsen numbers ranging from 0.18 to 0.5. Therefore, the gas adsorption and non-Darcy flow effects, which involve gas slippage, Knudsen diffusion, and surface diffusion, are indispensable parameters of the permeability model for shale.
Project description:Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.
Project description:Trapping or cooling molecules has rallied a long-standing effort for its impact in exploring new frontiers in physics and in finding new phase of matter for quantum technologies. Here we demonstrate a system for light-trapping molecules and stimulated Raman scattering based on optically self-nanostructured molecular hydrogen in hollow-core photonic crystal fibre. A lattice is formed by a periodic and ultra-deep potential caused by a spatially modulated Raman saturation, where Raman-active molecules are strongly localized in a one-dimensional array of nanometre-wide sections. Only these trapped molecules participate in stimulated Raman scattering, generating high-power forward and backward Stokes continuous-wave laser radiation in the Lamb-Dicke regime with sub-Doppler emission spectrum. The spectrum exhibits a central line with a sub-recoil linewidth as low as ∼14 kHz, more than five orders of magnitude narrower than conventional-Raman pressure-broadened linewidth, and sidebands comprising Mollow triplet, motional sidebands and four-wave mixing.
Project description:Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when the adsorption gas desorbs from the pore wall. In this paper, a comprehensive mathematical model that incorporates all known mechanisms for simulating gas flow in shale strata is presented. The objective of this study was to provide a more accurate reservoir model for simulation based on the flow mechanisms in the pore scale and formation geometry. Complex mechanisms, including viscous flow, Knudsen diffusion, slip flow, and desorption, are optionally integrated into different continua in the model. Sensitivity analysis was conducted to evaluate the effect of different mechanisms on the gas production. The results showed that adsorption and gas viscosity change will have a great impact on gas production. Ignoring one of following scenarios, such as adsorption, gas permeability change, gas viscosity change, or pore radius change, will underestimate gas production.