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At least 181 records · Page 10

Dissociation of salts in water under pressure

The investigation of salts in water at extreme conditions is crucial to understanding the properties of aqueous fluids in the Earth. We report first principles (FP) and classical molecular dynamics simulations of NaCl in the dilute limit, at temperatures and pressures relevant to the Earth's upper mantle. Similar to ambient conditions, we observe two metastable states of the salt: the contact (CIP) and the solvent-shared ion-pair (SIP), which are entropically and enthalpically favored, respectively. We find that the free energy barrier between the CIP and SIP minima increases at extreme conditions, and that the stability of the CIP is enhanced in FP simulations, consistent with the decrease of the dielectric constant of water. The minimum free energy path between the CIP and SIP becomes smoother at high pressure, and the relative stability of the two configurations is affected by water self-dissociation, which can only be described properly by FP simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Film Cooling Performance Prediction for Air and Supercritical CO 2

The current study explores the possibility of cooling the vanes and blades of a direct-fired sCO 2 turbine using film cooling. The operating conditions of a direct-fired sCO 2 cycle and thermophysical properties of the fluid at those conditions can alter the flow field characteristics of the coolant jet and its mixing with the mainstream. Very little information is present in the literature regarding the performance of film cooling geometries employing supercritical CO 2 . The objective of this study is to estimate the resulting film cooling effectiveness while also capturing the effects of the crossflow-to-mainstream velocity ratio on the coolant jet. Herein, a computational fluid dynamic model is used to study the coolant jet exiting a cylindrical hole located on a flat plate, with the coolant fed by an internal channel. Steady-state Reynolds-averaged Navier–Stokes equations were solved along with the (shear-stress transport) SST k–ω model to provide the turbulence closure. The operating conditions for the direct-fired sCO 2 turbine are obtained using an in-house Cooled Turbine Model. Numerical predictions revealed that the crossflow effects and jet lift-off were more pronounced in the case of sCO 2 when compared to air. Spatial distribution of flow field and cooling effectiveness are presented at different operating conditions.

30 DIRECT ENERGY CONVERSION↗

Film Cooling Performance Predictions For Air And Supercritical CO 2

The current study explores the possibility of cooling the vanes and blades of a direct-fired sCO 2 turbine using film cooling geometries. The operating conditions of a direct-fired sCO 2 cycle and thermophysical properties of the fluid at those conditions can alter the flow field characteristics of the coolant jet and its mixing with the mainstream. Very little information is present in the literature regarding the performance of film cooling geometries employing a supercritical fluid. The objective of this study is to estimate the resulting film cooling effectiveness while also capturing the effects of the crossflow-to-mainstream velocity ratio on the coolant jet. A computational fluid dynamic model is used to study the coolant jet exiting a cylindrical hole located on a flat plate, with the coolant fed by an internal channel. Steady-state RANS equations were solved along with the SST kω model to provide the turbulence closure. The operating conditions for the direct-fired sCO 2 turbine are obtained using an in-house Cooled Turbine Model. Numerical predictions revealed that the crossflow effects and jet lift-off were more pronounced in the case of sCO 2 when compared to air. Spatial distribution of flow field and cooling effectiveness will be presented at different operating conditions. Recommendations for future studies will be given wherever applicable.

42 ENGINEERING↗

Hydrogen Blending into Natural Gas Pipeline Infrastructure: Review of the State of Technology

Hydrogen is an energy carrier that could play an important role in reducing emissions associated with difficult-to-decarbonize sectors including peaking and load-following electricity and industrial heating. Blending hydrogen into the natural gas pipelines has been proposed as an approach for achieving near-term emissions reductions and early-market access for hydrogen technologies such as electrolyzers. Numerous challenges and uncertainties complicate this approach to natural gas decarbonization, however, and this review summarizes current research on the material, economic, and operational factors that must be considered for hydrogen blending. First, this review explores previous research regarding the effects of blending hydrogen on gas mixture fluid and thermodynamic properties, pipeline materials and equipment performance within transmission and distribution networks, and supporting facilities such as underground storage and end-use hydrogen separation. We also investigate and summarize studies that developed mathematical models of natural gas pipeline networks with hydrogen blending, and the operational and techno-economic findings of these network studies. Finally, we discuss notable hydrogen blending demonstrations and their key outcomes. Many blending demonstrations internationally have proven that low hydrogen percentage blending is feasible under very specific scenarios with limited end-usage applications on both high-pressure transmission lines and low-pressure distribution lines. This report summarizes findings from literature into key areas of consensus and disagreement. Research gaps and disagreements between the literature are highlighted to provide directions for future hydrogen blending research.

03 NATURAL GAS↗

SMART Deliverable 6.1.2a: Application of the ORION tool to the IBDP Carbon Storage Site

Forecasting and managing potential induced seismic activity is one of the challenges facing commercialscale geologic carbon sequestration (GCS), as well as other geologic energy extraction and byproduct disposal technologies. Historically, the process to develop robust, science-based forecasts of induced seismicity has required an integrated effort from experts in seismology, geomechanics, and reservoir engineering to manage data, develop and evaluate models of subsurface processes, and to calibrate and interpret the results from a range of models to understand site behavior relative to prescribed standards and in the context of uncertainty in geologic characterization data, forecasting models, and operational scenario uncertainty. The Operational Forecasting of Induced Seismicity (ORION) toolkit is an open-source, observation-based forecasting toolkit that is being co-developed by two U.S. DOE-funded initiatives: the National Risk Assessment Partnership (NRAP) and the Scienceinformed Machine Learning for Accelerating Real Time Decisions in Subsurface Applications (SMART) Initiative. ORION is designed to provide functionality to support decision making about seismic hazard analysis and risk management for GCS stakeholders ranging from the public to site operators to expert seismologists. The tool, which is written as open-source code in the Python programming language, is composed of a desktop graphical user interface (GUI) and an underlying forecasting engine. The forecasting engine uses available reservoir properties, well and fluid injection scenario details, and observed seismic catalog data as inputs to produce a set of temporal and spatio-temporal seismic forecasts.

58 GEOSCIENCES↗

Unveiling the Essential Parameters Driving Mineral Reactions during CO2 Storage in Carbonate Aquifers through Proxy Models

Numerical simulation is a commonly employed technique for studying carbon dioxide (CO2) storage processes in porous media, particularly saline aquifers. It enables the representation of diverse trapping mechanisms and the assessment of CO2 retention capacity within the subsurface. The intricate physicochemical phenomena involved necessitate the incorporation of multiphase flow, accurate depiction of fluid and rock properties, and their interactions. Among these factors, geochemical reaction rates and mechanisms are pivotal for successful CO2 trapping in carbonate reactive rocks. However, research on kinetic parameters and the influence of lithology on CO2 storage remains limited. This limitation is partly due to the challenges faced in laboratory experiments, where the time scale of the reactions and the lack of in situ conditions hinder accurate measurement of mineral reaction rates. This study employs proxy models constructed using response surfaces calibrated with simulation results to address uncertainties associated with geochemical reactions. Monte Carlo simulation is utilized to explore a broader range of parameters and identify influential factors affecting CO2 mineralization. The findings indicate that an open database containing kinetic parameters can support uncertainty assessment. Additionally, the proxy models effectively represent objective functions related to CO2 injectivity and mineralization, with calcite dissolution playing a predominant role. pH, calcite concentration, and CO2 injection rate significantly impact dolomite precipitation, while quartz content remains unaffected.

58 GEOSCIENCES↗

Viscoelastic Particle Focusing and Separation in a Spiral Channel

As one type of non-Newtonian fluid, viscoelastic fluids exhibit unique properties that contribute to particle lateral migration in confined microfluidic channels, leading to opportunities for particle manipulation and separation. In this paper, particle focusing in viscoelastic flow is studied in a wide range of polyethylene glycol (PEO) concentrations in aqueous solutions. Polystyrene beads with diameters from 3 to 20 μm are tested, and the variation of particle focusing position is explained by the coeffects of inertial flow, viscoelastic flow, and Dean flow. We showed that particle focusing position can be predicted by analyzing the force balance in the microchannel, and that particle separation resolution can be improved in viscoelastic flows.

42 ENGINEERING↗

Numerical Analysis of Regular Material Point Method and its Application to Multiphase Flows

The material point method (MPM) is gaining wide popularity in engineering research to model and simulate complex multiphase flow dynamics. The method relies on solving the governing equations of motion and transport in a Lagrangian framework using particles also known as material points. The fluid and kinematic properties are stored on the material points while the spatial gradient calculation and temporal integration are performed on a background grid. This Lagrangian framework allows for large deformations, easy integration of constitutive models, and direct import of complex geometries as particles. However, despite their increasing popularity, very few studies have addressed the issues of numerical resolution and stability of MPM techniques. The presence of additional factors such as the number of material points-per-cell, the location of the material points, the CFL-like condition used in time update, and the grid shape functions also increase the complexity of the error analysis when compared to other finite element methods. In this presentation, we analyze the various forms of error incurred in the application of MPM to continuum mechanics and multiphase flows. The effect of the previously mentioned factors on the error dynamics is studied. The application of these principles to canonical and industrial problems is also presented.

high pressure reverse osmosis↗

Design of Microwave Resonant Cavity Transducer. Development of sensor performance model of microwave cavity flow meter for advanced reactor high temperature fluids

High-temperature fluid reactors, such as molten salt cooled reactors (MSCR) and sodium fast reactors (SFR), are a promising advanced reactor option. Measurement of high-temperature fluid process variables, in particular the flow inside the pressure vessel, is a challenging task because of harsh environment, which includes high radiation, high temperature, and contact with highly corrosive coolant fluid. We are investigating a microwave cavity-based transducer for high-temperature fluid flow sensing. This sensor is a hollow metallic cylindrical cavity, which can be fabricated from stainless steel, and as such is expected to be resilient to radiation, high temperature and corrosive environment of MSCR and SFR. The principle of sensing consists of making one wall of the cylindrical cavity flexible enough so that dynamic pressure, which is proportional to fluid velocity, will cause membrane deflection. A cavity is characterized by its resonant frequencies. Membrane deflection causes cavity volume change, which leads to a shift in the resonant frequency. Feasibility of the flow sensor is evaluated with signal sensitivity using COMSOL computer simulations. A right cylinder geometry stainless steel cavity with dimeter of 0.8in was investigated. We choose membrane thickness of 10mil, so that corrosion anticipated to proceed at the rate of 1mil/year in liquid sodium would affect no more than 10% of the membrane. Using the properties of liquid sodium fluid, and stainless-steel material property values at 500oC, we calculate frequency shift for a range of values of fluid velocity from 0.5m/s to 2m/s. Results of computer simulations indicate measurable sensitivity to flow for this cavity design. Following these simulations, we have developed a preliminary design for fabrication of a transducer operating in microwave K-band for proof-of-principle tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Final report of activities for the LDRD-express project #223796 titled: “Fluid models of charged species transport: numerical methods with mathematically guaranteed properties”, PI: Ignacio Tomas, Co-PI: John Shadid

This report summarizes the findings and outcomes of the LDRD-express project with title “Fluid models of charged species transport: numerical methods with mathematically guaranteed properties”. The primary motivation of this project was the computational/mathematical exploration of the ideas advanced aiming to improve the state-of-the-art on numerical methods for the one-fluid Euler-Poisson models and gain some understanding on the Euler-Maxwell model. Euler-Poisson and Euler-Maxwell, by themselves are not the most technically relevant PDE plasma-models. However, both of them are elementary building blocks of PDE-models used in actual technical applications and include most (if not all) of their mathematical difficulties. Outside the classical ideal MHD models, rigorous mathematical and numerical understanding of one-fluid models is still a quite undeveloped research area, and the treatment/understanding of boundary conditions is minimal (borderline non-existent) at this point in time. This report focuses primarily on bulk-behaviour of Euler-Poisson’s model, touching boundary conditions only tangentially.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Heavy Oil Polymer EOR in the Challenging Alaskan Arctic - It Works!

Under co-sponsorship of the US Department of Energy and Hilcorp Alaska LLC the first ever polymer field pilot commenced on 8/28/2018 in the Schrader Bluff heavy oil reservoir at the Milne Point Field on Alaska North Slope (ANS). The primary objective of the pilot is to prove the efficacy of polymer Enhanced Oil Recovery (EOR) to unlock the vast heavy oil resources on ANS. More than two and half years after startup, the polymer injection, supporting laboratory experiments and simulation studies steadily continue. The pilot started injecting hydrolyzed polyacrylamide (HPAM), at a concentration of 1,750 ppm to achieve a target viscosity of 45 cP, into the two horizontal injectors in the flood pattern. Production is monitored in the two horizontal producers. Based on laboratory measurements of polymer viscosity at reservoir conditions, the team decided to reduce polymer concentration to 1,200 ppm since July 2020 in an effort to control injection pressure and optimize polymer utilization. Quality control (QC) on the field ensures uniform polymer solution properties. Representative rock and fluid systems and test conditions are utilized in the corefloods on polymer retention, effect of injection water salinity, polymer loading, and their combinations on oil recovery. A history matched reservoir simulation model for forecasting oil recovery was developed on the basis of all the available field data. Field concerns related to the post-polymer breakthrough impact on flow assurance is addressed via specialized laboratory tests. Notwithstanding early operational disruptions and hydration issues, continuous polymer injection in both injectors has been achieved. To date, 950,000 lbs of polymer or 2 million barrels of polymer solution, equating to 13% of total pore volume (PV), has been placed in the flood pattern, serving as an effective indicator of adequate polymer injectivity. So far, the success of polymer EOR is evident from drastically reduced water cut in the producers, an estimated incremental 1,000 bopd over waterflood, and a favorable polymer utilization of 1.7 lbs/barrel of incremental oil. Polymer breakthrough was observed 26 months after the start of polymer injection. Main observations from corefloods are unusually high polymer retention values in some cases and a positive response to low salinity water. Although the heterogeneity in the flood pattern and exceptionally low water cut pose some challenges, persistent novel and justifiable simulation approaches have resulted in a robust history matched model. Experimental results on produced fluids treatment provide operational guidance for improved oil-water separation and mitigation of heater tube fouling. The ongoing success of the pilot is a key indicator of bringing the team ever closer to meeting the project’s primary objective. The encouraging results of the pilot is one of the drivers that has provided the impetus to apply polymer EOR throughout the Milne Point Field, which would increase oil recovery and extend the economic life of the Trans Alaska Pipeline System. The scientific knowledge, including the many lessons learned from this pilot also has referential value for other potential heavy oil EOR projects throughout the world. The collected data, operational lessons learned, and the overall success of the pilot are summarized in the paper.

None, None↗

Adhesion and Contact Aging of Acrylic Pressure-Sensitive Adhesives to Swollen Elastomers

Fluid-infused (or swollen) elastomers are known for their antiadhesive properties. The presence of excess fluid at their surface is the main contributor to limiting contact formation and minimizing adhesion. Despite their potential, the mechanisms for adhesion and contact aging to fluid-infused elastomers are poorly understood beyond contact with a few materials (ice, biofilms, glass). This study reports on adhesion to a model fluid-infused elastomer, poly(dimethylsiloxane) (PDMS), swollen with silicone oil. The effects of oil saturation, contact time, and the opposing surface are investigated. Specifically, adhesion to two different adherents with comparable surface energies but drastically different mechanical properties is investigated: a glass surface and a soft viscoelastic acrylic pressure-sensitive adhesive film (PSA, modulus ~25 kPa). Adhesion between the PSA and swollen PDMS [with 23% (w/w) silicone oil] retains up to 60% of its value compared to contact with unswollen (dry) PDMS. In contrast, adhesion to glass nearly vanishes in contact with the same swollen elastomer. Adhesion to the PSA also displays stronger contact aging than adhesion to glass. Contact aging with the PSA is comparable for dry and unsaturated PDMS. Moreover, load relaxation when the PSA is in contact with the PDMS does not correlate with contact aging for contact with the dry or unsaturated elastomer, suggesting that contact aging is likely caused by chain interpenetration and polymer reorganization within the contact region. Closer to full saturation of the PDMS with oil, adhesion to the PSA decreases significantly and shows a delay in the onset of contact aging that is weakly correlated to the poroelastic relaxation of the elastomer. Additional confocal imaging suggests that the presence of a layer of fluid trapped at the interface between the two solids could explain the delayed (and limited) contact aging to the oil-saturated PDMS.

36 MATERIALS SCIENCE↗

Non-contact Thermophysical Characterization of Solids and Fluids for Gen3 Concentrating Solar Power

In this project, we aim to develop Modulation Photothermal Radiometry (MPR), which is an attractive non-contact tool to evaluate thermophysical properties of high-temperature solids and HTFs that are otherwise time-consuming and difficult to measure and for in-situ testing of these properties. Therefore, the main objective of the project is the development and application of MPR to characterize high temperature thermophysical properties of heat transfer fluids (HTFs) and the solids (tubing and solar absorbing coating) in various components and sub-systems used in CSP plants. The measurements will be first demonstrated on a wide range of materials at UCSD and then the tool will be transferred to other facilities within the Gen3 CSP portfolio.

14 SOLAR ENERGY↗

Using Hydrodynamic Similarity as a Verification Method for Impact Cratering Simulations in the FLAG Hydrocode

Hydrodynamic codes (hydrocodes) are common tools for modeling hypervelocity impacts to provide insight into the physical phenomenon. Hydrocodes can simulate impacts from micrometer to kilometer spatial scales and reach impact velocities difficult to achieve in experimental settings. However, numerical models are approximations, and demonstrating that a numerical method is capable of providing physical results for these models is essential. In this work, we employ a hydrocode verification technique that leverages hydrodynamic similarity, a mathematical property of the conservation equations of fluid mechanics that form the basis for hydrocode models. Using the FLAG hydrocode, we simulate aluminum (Al) and basalt projectiles and targets at spatial scales spanning 7 orders of magnitude (hundreds of micrometers to kilometers). These materials were chosen because Al-6061 is a common material in spacecraft and satellites and basalt is a useful approximation of rocky astronomical bodies. Our results show that hydrodynamic similarity holds for each material model used and across spatial scales. We show that under certain conditions hydrodynamic similarity can apply in the presence of gravity and that similarity does not hold in the presence of strength models. We conclude that the FLAG hydrocode preserves important mathematical properties of fluid dynamics in hypervelocity impacts of Al-6061 and basalt.

79 ASTRONOMY AND ASTROPHYSICS↗

Predicting Fluid Flow Regime, Permeability, and Diffusivity in Mudrocks from Multiscale Pore Characterisation

In geoenergy applications, mudrocks prevent fluids to leak from temporary (H 2 , CH 4 ) or permanent (CO 2 , radioactive waste) storage/disposal sites and serve as a source and reservoir for unconventional oil and gas. Understanding transport properties integrated with dominant fluid flow mechanisms in mudrocks is essential to better predict the performance of mudrocks within these applications. In this study, small-angle neutron scattering (SANS) experiments were conducted on 71 samples from 13 different sets of mudrocks across the globe to capture the pore structure of nearly the full pore size spectrum (2 nm–5 μm). We develop fractal models to predict transport properties (permeability and diffusivity) based on the SANS-derived pore size distributions. The results indicate that transport phenomena in mudrocks are intrinsically pore size-dependent. Depending on hydrostatic pore pressures, transition flow develops in micropores, slip flow in meso- and macropores, and continuum flow in larger macropores. Fluid flow regimes progress towards larger pore sizes during reservoir depletion or smaller pore sizes during fluid storage, so when pressure is decreased or increased, respectively. Capturing the heterogeneity of mudrocks by considering fractal dimension and tortuosity fractal dimension for defined pore size ranges, fractal models integrate apparent permeability with slip flow, Darcy permeability with continuum flow, and gas diffusivity with diffusion flow in the matrix. This new model of pore size-dependent transport and integrated transport properties using fractal models yields a systematic approach that can also inform multiscale multi-physics models to better understand fluid flow and transport phenomena in mudrocks on the reservoir and basin scale.

36 MATERIALS SCIENCE↗

A hierarchical stochastic modeling approach for representing point bar geometries and petrophysical property variations

The flow of fluids in point bars is affected by the existence of heterogeneities like shale drapes that are found on the surfaces of inclined heterolithic stratifications. In fact, these shale drapes can act as fluid flow baffles; therefore, developing a framework for modeling point bars and their associated heterogeneities is vital. In this study, a stochastic process-based modeling approach is presented for capturing the main point bar heterogeneities: accretion surfaces (i.e., the aerial heterogeneity) and inclined heterolithic stratifications (i.e., the vertical heterogeneity). The former was modeled using a sine-generation function and the latter, with a sigmoidal function after which they were combined into a 3D point bar model. To ensure proper modeling of petrophysical properties, we developed a more representative gridding scheme which generates curvilinear grids representative of the point bar geometry. This grid was then transformed into a rectilinear grid to allow for geostatistical simulation after which all petrophysical properties were mapped back into the original curvilinear grid. An essential element of this modeling approach is the stochastic representation of shale drapes at the interface between successive accretion surfaces. The workflow was tested using a real field dataset for the Cranfield field, Mississippi. The constructed model was then subjected to a flow simulation study mimicking a CO 2 storage scenario. Various sensitivities were simulated to evaluate the effect of heterogeneities on CO 2 flow within the point-bar. Results demonstrate the importance of representing point-bar related heterogeneity and the spatial distribution of shale drapes on CO 2 plume migration and storage.

58 GEOSCIENCES↗

Direct observation of ultrafast cluster dynamics in supercritical carbon dioxide using X-ray Photon Correlation Spectroscopy

Supercritical fluids exhibit distinct thermodynamic and transport properties, making them of particular interest for a wide range of scientific and engineering applications. These anomalous properties emerge from structural heterogeneities due to the formation of molecular clusters at conditions above the critical point. While the static behavior of these clusters and their effects on the thermodynamic response functions have been recognized, the relation between the ultrafast cluster dynamics and transport properties remains elusive. By measuring the intermediate scattering function in carbon dioxide at conditions near the critical point with X-ray photon correlation spectroscopy, we directly capture the cross-over dynamics between 4 and 13 picoseconds, revealing the transition between ballistic and diffusive motion. Complementary analysis using large-scale molecular dynamics simulations reveals that this behavior arises from collisions between unbound molecules and clusters. This study provides direct evidence of the ultrafast momentum exchange between clusters, which has significant impact on transport properties, solvation processes, and reaction kinetics in supercritical fluids.

carbon capture and storage↗