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At least 127 records · Page 7

Development of a Reference Model for Molten-Salt-Cooled Pebble-Bed Reactor Using SAM

To support the development and utilization of the SAM code for fluoride-salt-cooled high-temperature pebble-bed reactor (PB-FHR) safety analysis and licensing, an effort was devoted to developing reference models for PB-FHR primary loop and the reactor cavity cooling system (RCCS). A reference standard problem of a prototypical reactor design is foundational to NRC and industry to verify the adequacy of computer codes and evaluation models for a specific reactor type. The SAM code was enhanced for the reference PB-FHR model development, including a 1D-3D flow coupling scheme and conjugate heat transfer between porous media and solid structures. The reference FHR primary loop model was developed based on the UC Berkeley Mk1 FHR design with additional design features from the Kairos Power’s KP-FHR core. The PB-FHR core is modeled by a two-dimensional porous medium while the rest of the primary loop is represented by a SAM one-dimensional model. A SAM one-dimensional primary loop model was also developed for comparison using a single channel approach for the reactor core. Furthermore, the water-based NSTF cavity was modeled using SAM multi-dimensional flow module, to assist in evaluating SAM capabilities of modeling the emergency heat removal systems relying on RCCS concepts.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Modeling based assessment of salt cavern performance for underground hydrogen storage

This poster is about the recent progress in my LDRD project of underground hydrogen storage in multiple salt caverns. The main progress of my work is to develop modeling-based workflow to evaluate the salt cavern performance and assess the potential of geomechanical risk for hydrogen storage.

Chang, Kyung Won [Sandia National Laboratories (SN↗

Oxidation kinetic modelling of Fe-based oxygen carriers for chemical looping applications: Impact of the topochemical effect

Chemical looping is a promising technology for fossil fuel utilization due to its high fuel conversion efficiency with in-situ CO 2 capture capability. Metal oxide are used as oxygen carriers (OCs) and circulate between a fuel reactor and an air reactor to perform reduction and oxidation reactions, respectively. In general, OC exiting the fuel reactor is not reduced fully to its metallic state due to many factors including carbon deposition and OC deactivation. Therefore, the effect of the initial reduction state on the OC oxidation in the air reactor is a significant parameter for consideration in developing the oxidation kinetic model. The objective of this work is to develop a physically significant kinetic model that applies to the oxidation of both initially fully and partially reduced OC with air. For this study, 1.5 mm Fe-based OC particle supported with TiO 2 was used as the model OC particle due to its complex multistep reaction nature. The oxidation kinetics were experimentally investigated in a thermogravimetric analyzer (TGA). Results indicate a significant difference in the oxidation rate profile for the OCs when oxidized from an initially fully reduced compared to an initially partially reduced state. Elemental mapping via energy-dispersive X-ray spectroscopy (EDS) reveals a shrinking-core type topochemical pattern across the OC particle, which was identified to be the cause of the dependency of kinetics on the initial reduction state. A generalized kinetic model was developed based on the observed shrinking-core behavior without presuming any rate-determining steps and experimentally validated over a broad range of temperatures (800–1000 °C) and oxygen concentrations (5, 7, 10, and 15 mol%). Impacts of particle porosity, size, and core-shell structure on the OC oxidation kinetics were analyzed in the developed oxidation kinetic model to suggest methods of improving the oxidation rate of the OC without modifying the chemical composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Coarse-Grained Models for Poly(4-vinylphenol) and Poly(2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding

In this paper, we identify the modifications needed in a recently developed generic coarse-grained (CG) model that captured directional interactions in polymers to specifically represent two exemplary hydrogen bonding polymer chemistries—poly(4-vinylphenol) and poly(2-vinylpyridine). We use atomistically observed monomer-level structures (e.g., bond, angle and torsion distribution) and chain structures (e.g., end-to-end distance distribution and persistence length) of poly(4-vinylphenol) and poly(2-vinylpyridine) in an explicitly represented good solvent (tetrahydrofuran) to identify the appropriate modifications in the generic CG model in implicit solvent. For both chemistries, the modified CG model is developed based on atomistic simulations of a single 24-mer chain. This modified CG model is then used to simulate longer (36-mer) and shorter (18-mer and 12-mer) chain lengths and compared against the corresponding atomistic simulation results. We find that with one to two simple modifications (e.g., incorporating intra-chain attraction, torsional constraint) to the generic CG model, we are able to reproduce atomistically observed bond, angle and torsion distributions, persistence length, and end-to-end distance distribution for chain lengths ranging from 12 to 36 monomers. We also show that this modified CG model, meant to reproduce atomistic structure, does not reproduce atomistically observed chain relaxation and hydrogen bond dynamics, as expected. Simulations with the modified CG model have significantly faster chain relaxation than atomistic simulations and slower decorrelation of formed hydrogen bonds than in atomistic simulations, with no apparent dependence on chain length.

36 MATERIALS SCIENCE↗

Toward the Development of a Fundamentally Based Chemical Model for Cyclopentanone: High-Pressure-Limit Rate Constants for H Atom Abstraction and Fuel Radical Decomposition

Theoretical aspects of the development of a chemical kinetic model for the pyrolysis and combustion of a cyclic ketone, cyclopentanone, are considered. We present calculated thermodynamic and kinetic data for the first time for the principal species including 2- and 3-oxo-cyclopentyl radicals, which are in reasonable agreement with the literature. Furthermore, these radicals can be formed via H atom abstraction reactions by H and Ö atoms and OH, HO 2 , and CH 3 radicals, the rate constants of which have been calculated. Abstraction from the β-hydrogen atom is the dominant process when OH is involved, but the reverse holds true for HO 2 radicals. We also determined the subsequent β-scission of the radicals formed, and it is shown that recent tunable VUV photoionization mass spectrometry experiments can be interpreted in this light. The bulk of the calculations used the composite model chemistry G4, which was benchmarked in the simplest case with a coupled cluster treatment, CCSD(T), in the complete basis set limit.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SU-G-BRC-10: Feasibility of a Web-Based Monte Carlo Simulation Tool for Dynamic Electron Arc Radiotherapy (DEAR)

Purpose: DEAR is a radiation therapy technique utilizing synchronized motion of gantry and couch during delivery to optimize dose distribution homogeneity and penumbra for treatment of superficial disease. Dose calculation for DEAR is not yet supported by commercial TPSs. The purpose of this study is to demonstrate the feasibility of using a web-based Monte Carlo (MC) simulation tool (VirtuaLinac) to calculate dose distributions for a DEAR delivery. Methods: MC simulations were run through VirtuaLinac, which is based on the GEANT4 platform. VirtuaLinac utilizes detailed linac head geometry and material models, validated phase space files, and a voxelized phantom. The input was expanded to include an XML file for simulation of varying mechanical axes as a function of MU. A DEAR XML plan was generated and used in the MC simulation and delivered on a TrueBeam in Developer Mode. Radiographic film wrapped on a cylindrical phantom (12.5 cm radius) measured dose at a depth of 1.5 cm and compared to the simulation results. Results: A DEAR plan was simulated using an energy of 6 MeV and a 3×10 cm{sup 2} cut-out in a 15×15 cm{sup 2} applicator for a delivery of a 90° arc. The resulting data were found to provide qualitative and quantitative evidence that the simulation platform could be used as the basis for DEAR dose calculations. The resulting unwrapped 2D dose distributions agreed well in the cross-plane direction along the arc, with field sizes of 18.4 and 18.2 cm and penumbrae of 1.9 and 2.0 cm for measurements and simulations, respectively. Conclusion: Preliminary feasibility of a DEAR delivery using a web-based MC simulation platform has been demonstrated. This tool will benefit treatment planning for DEAR as a benchmark for developing other model based algorithms, allowing efficient optimization of trajectories, and quality assurance of plans without the need for extensive measurements.

60 APPLIED LIFE SCIENCES↗

Overview of Base Model in Parametric Studies Specific to Performance of U-Mo Plates

This paper provides an overview of the base model specifically developed to perform parametric sensitivity studies on the U-10Mo monolithic fuel system. U-Mo monolithic fuels are being considered for the conversion of test reactors into high-performance research reactors that operate using proliferation-resistant, low-enriched uranium (LEU) fuels. These plate-type fuels contain a high-density, low-enrichment fuel sandwiched between zirconium diffusion barriers and encapsulated in aluminum claddings. All U.S. high-performance research reactors have released the designs of their LEU monolithic fuel reactor cores. These designs include nearly 50 distinct fuel plate geometries with different operational parameters. Consequently, a single generic plate geometry representing all the extreme points in this design matrix is unrealistic. To evaluate the performance for various parameters, a set of sensitivity studies was performed. These studies considered various input parameters (i.e., geometric, operational, and material property-related). The results revealed valuable information about plate performance and the sensitivity of this performance to various modeling inputs. To establish a reference state for comparing these result, base model featuring representative irradiation conditions was developed. To capture in-reactor behavior accurately, incorporation of representative constitutive models capable of evolving properties with respect to temperature, irradiation time, and burnup was needed. The behavioral models considered burnup-dependent properties, swelling, creep, and degradation. This paper introduces the base model created for the parametric sensitivity studies. The detailed description of the procedure includes the model geometry, model discretization, thermo-mechanical coupling, material properties and behavioral models. This paper also provides selected results and assesses the performance of the base model.

42 ENGINEERING↗

Feasibility of fusion plasma burn control via real-time, sub-divertor neutral gas isotopic and compositional analysis

The ability to provide fusion burn control without requiring physical access through the first wall and fuel breeding blankets, would be vital for any future, magnetically confined fusion power reactor. A multi-sensor, fusion fuel cycle exhaust, neutral gas analysis system on JET, capable of delivering real time data, and accessing only the sub-divertor region, provides an excellent example of such capability. Optimized for and operated during the deuterium–tritium experimental campaigns 2 and 3 (DTE2, DTE3), it is proving valuable for planning to explore fusion reactor burn control in ITER with a comparable diagnostic system called the Diagnostic Residual Gas Analyzer (DRGA). This paper aims to show feasibility of developing model-based controllers for ITER and next generation, reactor-relevant devices, by building both on the empirical experience in JET-DTE2, and on the already emerging experience on developing such models specifically for ITER. The paper begins with a specific use-case from JET-DTE2, pertaining to the observed sensitivity of the fusion neutron yield on the concentration of isotopic helium-3 ( 3 He), with data from one of the high-performance DT shots exhibited with emphasis on the 3 He measurement via the sub-divertor. Then, a first model is developed and then explored with simulations that aim to discover how well the controllers in the model react to either insufficient levels of 3 He or excessive levels of 3 He. The simulations then explore potential impact from a delay in the measurement (or the response) that would be comparable to the ∼1 s, conductance limited response for the ITER DRGA system, currently in its final design. The simulations show that control is feasible, and that its effectiveness is not significantly impacted by such delay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tailoring Cementitious Materials Towards Value-Added Use of Large CO 2 Volumes

A novel method was developed for the use of carbon dioxide as a raw material in production of hydraulic cements. The solid raw materials were selected to produce a chemistry that is amenable to the formation of alkali aluminosilicate hydrates and carbonates. These raw materials were first pelletized using a relatively low moisture content in the presence of carbon dioxide gas. The resulting pellets were then subjected to milling action in the presence of carbon dioxide in order to mechanochemically transform them into a hydraulic cement comprising largely of alkali aluminosilicates and metastable carbonates. Hydration of this hydraulic cement produces an integrated binder comprising largely of alkali aluminosilicate hydrates and finely dispersed crystalline carbonates. Analytical chemistry and physical test methods were employed in order to evaluate the composition and properties of pellets and the resultant hydraulic cement. The CO 2 uptake of the cement was measured at about 10 wt.%, which was raised with increasing milling duration in a carbon dioxide environment. The composition of the hydraulic cement was refined to further increase the use of abundant and market-limited industrial byproducts as raw materials, and to produce a balance of performance characteristics that meet standard requirements. Concrete materials were prepared with the hybrid hydraulic cement developed in the project, and were thoroughly characterized. The hydraulic cement formulation was further refined in order to produce concrete materials with desired deicer salt scaling resistance. The fresh mix attributes of the hybrid cement concrete were thoroughly characterize in order to evaluate its rheological characteristics, bleeding and plastic shrinkage cracking resistance. The resultant concrete was found to produce mechanical, physical and durability characteristics that were superior to those of conventional Portland cement concrete. The fresh mix rheology, bleeding and plastic shrinkage cracking resistance of the hybrid cement concrete were found to be compatible with the mainstream construction practices. Scalability and compatibility with industrial-scale practices are key to the commercial success of the new class of hydraulic cements developed in this project. These attributes cannot be easily assessed in laboratory-scale investigations. Energy-based models were developed to enable scale-up of the process. Pilot-scale implementation of the process in a power plant was successful. Theoretical analyses complemented with pilot-scale experimental investigations indicated that the transformation from laboratory- to pilot-scale mechanochemical processing can reduce the milling duration by up to 85%. The data produced in pilot-scale processing of the hydraulic cement was used to assess the net carbon footprint of the resultant binder, which was found to be negative due to uptake of carbon dioxide in the process. The energy content of the new hydraulic cement was significantly below that of Portland cement, and it also offered favorable economics. Significant support has been raised for industrial-scale demonstration and commercialization of the technology. A theoretical framework was established based on thermodynamic and diffusion principles to explain the mechanochemical capture and value-added use of carbon dioxide in hydraulic cement production.

01 COAL, LIGNITE, AND PEAT↗

Nuclear Data Sensitivity Study for the EBR-II Fast Reactor Benchmark Using SCALE with ENDF/B-VII.1 and ENDF/B-VIII.0

The EBR-II benchmark, which was recently included in the International Handbook of Evaluated Reactor Physics Benchmark Experiments, served as a basis for assessing the performance of the SCALE code system for fast reactor analyses. A reference SCALE model was developed based on the benchmark specifications. Great agreement was observed between the eigenvalue calculated with this SCALE model and the benchmark eigenvalue. To identify potential gaps and uncertainties of nuclear data for the simulation of various quantities of interest in fast spectrum systems, sensitivity and uncertainty analyses were performed for the eigenvalue, reactivity effects, and the radial power profile of EBR-II using the two most recent ENDF/B nuclear data library releases. While the nominal results are consistent between the calculations with the different libraries, the uncertainties due to nuclear data vary significantly. The major driver of observed uncertainties is the uncertainty of the 235 U ( n,γ ) reaction. Since the uncertainty of this reaction is significantly reduced in the ENDF/B-VIII.0 library compared to ENDF/B-VII.1, the obtained output uncertainties tend to be smaller in ENDF/B-VIII.0 calculations, although the decrease is partially compensated by increased uncertainties in 235 U fission and ν ¯ .

42 ENGINEERING↗

Effects of dry bulk density and particle size fraction on gas transport parameters in variably saturated landfill cover soil

Highlights: > The effects of soil physical properties on gas transport parameters were investigated. > Higher values of D{sub p} and k{sub a} exhibited in the '+gravel' than the '-gravel' fraction at same soil-air content ({epsilon}). > Recent power law models for D{sub p} (WLR) and k{sub a} (RPL) were modified. > Model parameters were linearly related to easily measurable dry bulk density ({rho}{sub b}). - Abstract: Landfill sites are emerging in climate change scenarios as a significant source of greenhouse gases. The compacted final soil cover at landfill sites plays a vital role for the emission, fate and transport of landfill gases. This study investigated the effects of dry bulk density, {rho}{sub b}, and particle size fraction on the main soil-gas transport parameters - soil-gas diffusivity (D{sub p}/D{sub o}, ratio of gas diffusion coefficients in soil and free air) and air permeability (k{sub a}) - under variably-saturated moisture conditions. Soil samples were prepared by three different compaction methods (Standard and Modified Proctor compaction, and hand compaction) with resulting {rho}{sub b} values ranging from 1.40 to 2.10 g cm{sup -3}. Results showed that D{sub p} and k{sub a} values for the '+gravel' fraction (<35 mm) became larger than for the '-gravel' fraction (<2 mm) under variably-saturated conditions for a given soil-air content ({epsilon}), likely due to enhanced gas diffusion and advection through less tortuous, large-pore networks. The effect of dry bulk density on D{sub p} and k{sub a} was most pronounced for the '+gravel' fraction. Normalized ratios were introduced for all soil-gas parameters: (i) for gas diffusivity D{sub p}/D{sub f}, the ratio of measured D{sub p} to D{sub p} in total porosity (f), (ii) for air permeability k{sub a}/k{sub a,pF4.1}, the ratio of measured k{sub a} to k{sub a} at 1235 kPa matric potential (=pF 4.1), and (iii) for soil-air content, the ratio of soil-air content ({epsilon}) to total porosity (f) (air saturation). Based on the normalized parameters, predictive power-law models for D{sub p}({epsilon}/f) and k{sub a}({epsilon}/f) models were developed based on a single parameter (water blockage factor M for D{sub p} and P for k{sub a}). The water blockage factors, M and P, were found to be linearly correlated to {rho}{sub b} values, and the effects of dry bulk density on D{sub p} and k{sub a} for both '+gravel' and '-gravel' fractions were well accounted for by the new models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

LOGOS

LOGOS is a software package which contains a set of discrete optimization models that can be employed for capital budgeting optimization problems. More specifically, provided a set of items (characterized by cost and reward values) and constraints, these models select the best combination of items which maximizes overall reward and satisfies the provided constraints. The developed models are based on different versions of the knapsack optimization algorithms. Two main classes of optimization models have been initially developed: deterministic and stochastic. Stochastic optimization models evolve deterministic models by explicitly considering data uncertainties (associated to constraints or item cost and reward). These models can be employed as stand-alone models or interfaced with the INL developed RAVEN code to propagate data uncertainties and analyze the generated data (i.e., sensitivity analysis).

Wang, Congjian↗

Multivariate Calibration Models for Sorghum Composition using Near-Infrared Spectroscopy

NREL developed calibration models based on near-infrared (NIR) spectroscopy coupled with multivariate statistics to predict compositional properties relevant to cellulosic biofuels production for a variety of sorghum cultivars. A robust calibration population was developed in an iterative fashion. The quality of models developed using the same sample geometry on two different types of NIR spectrometers and two different sample geometries on the same spectrometer did not vary greatly.

09 BIOMASS FUELS↗

Phasor Domain Steady-State Modeling and Design of the DC–DC Modular Multilevel Converter

The DC-DC Modular Multilevel Converter (MMC), which originated from the AC-DC MMC, is an attractive converter topology for interconnection of medium-/high-voltage DC grids. This paper presents design considerations for the DC-DC MMC to achieve high efficiency and reduced component sizes. A steady-state mathematical model of the DC-DC MMC in the phasor-domain is developed. Based on the developed model, a design approach is proposed to size the components and to select the operating frequency of the converter to satisfy a set of design constraints while achieving high efficiency. The design approach includes sizing of the arm inductor, Sub-Module (SM) capacitor, and phase filtering inductor along with the selection of AC operating frequency of the converter. The accuracy of the developed model and the effectiveness of the design approach are validated based on the simulation studies in the PSCAD/EMTDC software environment. The analysis and developments of this paper can be used as a guideline for design of the DC-DC MMC.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Using polymerization, glass structure, and quasicrystalline theory to produce high level radioactive borosilicate glass remotely: a 20+ year legacy

Vitrification is currently the most widely used technology for the treatment of high level radioactive wastes (HLW) throughout the world. Most of the nations that have generated HLW are immobilizing in borosilicate glass. One of the primary reasons that glass has become the most widely used immobilization media is the relative simplicity of the vitrification process, e.g. melt a highly variable waste with some glass forming additives such as SiO 2 and B 2 O 3 in the form of a premelted frit and pour the molten mixture into a stainless steel canister. Seal the canister before moisture can enter the canister (10’ tall by 2’ in diameter) so the canister does not corrode from the inside out. Glass has also become widely used for HLW is that due to the fact that the short range order (SRO) and medium range order (MRO) found in the structure of glass atomistically bonds the radionuclides and hazardous species in the waste. The SRO and MRO have also been found to govern the melt properties such as viscosity and resistivity of the melt and the crystallization potential and solubility of certain species. Furthermore, the molecular structure of the glass also controls the glass durability, i.e. the contaminant/radionuclide release, by establishing the distribution of ion exchange sites, hydrolysis sites, and the access of water to those sites. The molecular structure is flexible and hence accounts for the flexibility of glass formulations to HLW waste variability. Nuclear waste glasses melt between 1050-1150°C which minimizes the volatility of radioactive components such as 99 Tc, 137 Cs, and 129 I. Nuclear waste glasses have good long term stability including irradiation resistance. Process control models were developed based on the molecular structure of glass, polymerization theory of glass, and quasicrystalline theory of glass crystallization. These models create a glass which is durable, pourable, and processable with 95% accuracy without knowing from batch to batch what the composition of the waste coming out of the storage tanks will be. These models have operated the Savannah River Site Defense Waste Processing Facility (SRS DWPF), which is the world’s largest HLW Joule heated ceramic melter, since 1996. This unique “feed forward” process control, which qualifies the durability, pourability, and processability of the waste plus glass additive mixture before it enters the melter, has enabled ~8000 tons of HLW glass and 4242 canisters to be produced since 1996 with only one melter replacement.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Trapped Proton Environment in Medium-Earth Orbit (2000-2010)

This report describes the method used to derive fluxes of the trapped proton belt along the GPS orbit (i.e., a Medium-Earth Orbit) during 2000 – 2010, a period almost covering a solar cycle. This method utilizes a newly developed empirical proton radiation-belt model, with the model output scaled by GPS in-situ measurements, to generate proton fluxes that cover a wide range of energies (50keV- 6MeV) and keep temporal features as well. The new proton radiation-belt model is developed based upon CEPPAD proton measurements from the Polar mission (1996 – 2007). Comparing to the de-facto standard empirical model of AP8, this model is not only based upon a new data set representative of the proton belt during the same period covered by GPS, but can also provide statistical information of flux values such as worst cases and occurrence percentiles instead of solely the mean values. The comparison shows quite different results from the two models and suggests that the commonly accepted error factor of 2 on the AP8 flux output over-simplifies and thus underestimates variations of the proton belt. Output fluxes from this new model along the GPS orbit are further scaled by the ns41 in-situ data so as to reflect the dynamic nature of protons in the outer radiation belt at geomagnetically active times. Derived daily proton fluxes along the GPS ns41 orbit, whose data files are delivered along with this report, are depicted to illustrate the trapped proton environment in the Medium-Earth Orbit. Uncertainties on those daily proton fluxes from two sources are evaluated: One is from the new proton-belt model that has error factors < ~3; the other is from the in-situ measurements and the error factors could be ~ 5.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimization of a Packed Particle Magnetocaloric Refrigerator: A Combined Experimental and Theoretical Study

Magnetocaloric refrigeration has strong potential towards achieving high efficiency hydrogen liquefaction. Optimising parameters such as particle size and operating cycles can have a significant impact on liquefaction performance. Here, this work reports on a room temperature magnetocaloric refrigeration prototype designed with helium as the heat transfer fluid and packed particle Gd 0.8875 Ce 0.1025 Si 0.84 Cr 0.19 as the refrigerant. The temperature spans and cooling power with three different particle sizes at two different operating cycles were measured. A maximum temperature span of 16.7 K and a maximum cooling power of 8.6 W·kg –1 were obtained. Reduction of performance in the faster cycle was observed in larger particles due to insufficient thermal diffusion time and its implications for cryogenic temperatures are discussed. A numerical model was developed based on the experimentally observed variation of the temperature span and cooling power with particle size and cycle duration. This model was then used to study the competing effects of viscous dissipation and thermal diffusion for different particle sizes and cycle durations.

08 HYDROGEN↗

A micromechanical hydro-mechanical-damage coupled model for layered rocks considering multi-scale structures

An anisotropic Hydro-Mechanical-Damage coupled model was established in the framework of thermodynamics for saturated layered rocks, which contain arbitrarily-distributed cracks of smaller scales and orientated bedding planes of much larger scales. Here, the proposed model considers the anisotropic damage growth and frictional sliding of cracks and shear sliding and dilatancy of bedding planes, as well as the interaction between cracks and bedding planes. Numerical implementation of the nonlinear coupled model was developed based on TOUGHREACT, which is a well-established simulator for multiphase fluid flow and reactive transport analysis. The proposed model was first validated with laboratory water injection test results on rock blocks, and then used to study the effects of injection rates, in situ stresses and bedding planes on fluid injection processes at the field scale, demonstrating the importance to consider the variation of multi-scale structures for better understanding the coupled Hydro-Mechanical responses in layered rocks.

58 GEOSCIENCES↗