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At least 1,387 records · Page 77

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗

An Overview of the EGS Collab Project: Field Validation of Coupled Process Modeling of Fracturing and Fluid Flow at the Sanford Underground Research Facility, Lead, SD

Enhanced Geothermal Systems (EGS) development will require an ability to accurately predict the flow rates and temperatures of the production wells. While simple in concept, complex heterogeneous fracture pathways can lead to channeling, short-circuiting, and premature thermal breakthrough complicating EGS. The EGS Collab project will establish a suite of intermediate-scale (~10-20 m) field test beds coupled with stimulation and interwell flow tests to provide a basis to better understand the fracture geometries and processes that control heat transfer between rock and stimulated fractures. These experiments will provide a means of testing tools, codes, and concepts that could later be employed under geothermal reservoir conditions at FORGE and in EGS. We will perform well-controlled, in situ experiments focused on rock fracture behavior and permeability enhancement. Pre- and post-test modeling of each test will allow for model prediction and validation. Comprehensive instrumentation will be used to collect high-quality, high-resolution geophysical and fracture characterization and fluid flow data. ,These data will be analyzed and compared with models and field observations to further elucidate the basic relationships between stress, induced seismicity, and permeability enhancement. To the maximum extent achievable, we will observe and quantify other key governing parameters that impact permeability, and attempt to understand how these parameters might change throughout the development and operation of an EGS project with the goal of enabling commercial viability of EGS. The Sanford Underground Research Facility (SURF) in South Dakota was selected as the EGS Collab project experimental site based on the evaluation of information from several sites. Our team has designed and constructed the first field experiment planned for this project, which is supported by the US Department of Energy’s Geothermal Technologies Office.

EGS, FORGE, field fracture stimulation and flow ex↗

A hybrid porous model for full reactor core scale CFD investigation of a prismatic HTGR

Three-dimensional (3-D) Computational Fluid Dynamics (CFD) analysis of a whole nuclear reactor core is a tremendous challenge due to the large geometric volume and complex structures. Here, this research presents a hybrid porous (HP) model to simplify a prismatic High Temperature Gas-cooled Reactor (HTGR) core, so 3-D CFD investigation can be performed on a full reactor core scale. In the HP model, the prototypic small coolant channels in the nuclear fuel blocks are lumped together to form multiple equivalent large coolant channels, and then the porous medium flow model is applied to each of them. Therefore, heat transfer in fuel blocks is computed by a hybrid combination of solid energy and porous flow energy equations. The similarity between the HP model and prototypic model is achieved by deriving the porous flow permeability, inertial resistance factor, and artificial thermophysical properties. Compared with the widely used whole porous (WP) flow model, the HP model preserves more realistic geometric structures, and therefore more accurate physical processes. The General Atomics' Modular High Temperature Gas-cooled Reactor (MHTGR) design was chosen as a prototype to demonstrate the methodology. Simulations were performed using the prototypic CFD model and HP model at steady-state forced circulation, steady-state natural circulation, and transient conditions that correspond to normal operation, extended period of pressurized cool down, and short-term transients after reactor shutdown, respectively. The comparison shows good agreement between the HP model and prototypic model in the maximum fuel temperature, average solid temperature, and helium flow rate, which demonstrates the potential applicability of the HP model for a full reactor core scale simulation in the future. As a benefit, the HP model reduces the mesh quantity by a factor of 50 from a prototypic model. Correspondingly, the computation time was reduced by a factor of at least 30.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scalability analysis of heavy-duty gas turbines using data-driven machine learning

With the increasing integration of variable renewable energy sources into power systems, the role of flexible power generation technologies like gas turbines (GT) in rapid grid balancing remains crucial. This sustained importance underscores the need for scaled and precise modeling of GT to ensure effective integration within evolving energy frameworks. While physics-driven GT models integrate thermodynamics, fluid dynamics, and combustion principles, they often rely on approximate mathematical representations to accommodate scaling that may not capture the actual complex dynamics for GTs and inertial effects associated to GTs with different ratings. In this study, a data-driven model is proposed using machine learning (ML) techniques to conduct GT scalability analysis and performance evaluation with high accuracy. The ML model, trained on data from various operating conditions and performance parameters, aims to uncover intricate relationships and patterns, resembling GT characteristics at different scales (ratings). The model is developed to capture complex system interaction and to adapt to changing operational scenarios at different capacities, providing valuable insights of power system dynamics. In this study, the real-time digital simulator platform was employed to generate training data for the ML model and assess its dynamic characteristics. The ultimate objective was to develop a detailed modeling framework based on governing equations and data-driven ML capable of predicting key performance indicators, in thermal systems such as GTs, including power output, speed, fuel consumption, and exhaust temperature under diverse operating conditions at different scales. The developed ML framework demonstrated high accuracy, with mean relative errors for GT power prediction, reference speed, exhaust temperature, and compressor pressure ratio (CPR) parameters consistently below 0.1% across typical load fluctuation scenarios. Maximum deviations were limited to approximately 0.5 K for exhaust temperature and 0.009 for CPR, underscoring the model’s ability to replicating dynamic GT behavior with high precision. The adaptability of the ML model enables its application across diverse operational conditions and its extension to other thermal systems. By leveraging advanced ML techniques, this study presents a robust and scalable modeling framework that enhances GT simulation precision, facilitating improved integration into evolving power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of predictive data analytics to model daily hydrocarbon production using petrophysical, geomechanical, fiber-optic, completions, and surface data: A case study from the Marcellus Shale, North America

Predicting gas production from stimulated unconventional reservoirs has always been a challenge to oil and gas companies because the physics of fluid flow through such reservoirs is not well understood. On the other hand, modeling gas production from shale reservoirs is a complex multi-variate problem that requires proper integration of data from multiple disciplines, such as geology, petrophysics, geomechanics, completions, and surface-based measurements, etc. Here this study demonstrates the application of data-driven machine learning algorithms, integrating geoscientific, distributed acoustic sensing (DAS), distributed temperature sensing (DTS) fiber-optic, completions, flow scanner production log, and surface data to model daily gas production from a 28-stage stimulated horizontal well drilled in the Marcellus Shale of the Appalachian basin in North America. In addition, this study aims to utilize the data from a fiber-optic monitoring system, such as DAS and DTS to evaluate the well performance. We build supervised data-driven machine learning models using Random Forest (RF), Artificial Neural Network (ANN), and Support Vector Machine (SVM) algorithms to understand the well performance and forecast the daily gas production. The study compares the forecasted results, tests the level of accuracy, and addresses different issues with these machine learning algorithms. A spatio-temporal database is constructed and used to perform sensitivity analyses to identify the key drivers for gas production. The results show that RF and ANN algorithms can be used to predict daily gas production with significantly high accuracy; however, RF algorithm is the best predictor in terms of highest accuracy (96%), less computational time and cost. Based on sensitivity analysis, it appears that Poisson's ratio, minimum horizontal stress, DAS, casing pressure, gamma log are the most important parameters to predict gas production.

02 PETROLEUM↗

Emergent Properties of Antiagglomerant Films Control Methane Transport: Implications for Hydrate Management

The relationship between collective properties and performance of antiagglomerants (AAs) used in hydrate management is handled using molecular dynamics simulations and enhanced sampling techniques. A thin film of AAs adsorbed at the interface between one flat sII methane hydrate substrate and a fluid hydrocarbon mixture containing methane and $n$-dodecane is studied. The AA considered is a surface-active compound with a complex hydrophilic head that contains both amide and tertiary ammonium cation groups and hydrophobic tails. At a sufficiently high AA density, the interplay between the surfactant layer and the liquid hydrocarbon excludes methane from the interfacial region. In this scenario, we combine metadynamics and umbrella sampling frameworks to study accurately the free-energy landscape and the equilibrium rates associated with the transport of one methane molecule across the AA film. We observe that the local configurational changes of the liquid hydrocarbon packed within the AA film are associated with high free-energy barriers for methane transport. The time scales estimated for the transport of methane across the AA film can be, in some cases, comparable to those reported in the literature for the growth of hydrates, suggesting that one possible mechanism by which AAs delay the formation of hydrate plugs could be providing a barrier to methane transport. Considering the interplay between the structural design and collective properties of AAs might be of relevance to improve their performance in flow assurance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of solute transport through heterogeneous networks: analysis using the method of moments and the statistics of local transport characteristics

We used a time domain random walk approach to simulate passive solute transport in networks. In individual pores, solute transport was modeled as a combination of Poiseuille flow and Taylor dispersion. The solute plume data were interpreted via the method of moments. Analysis of the first and second moments showed that the longitudinal dispersivity increased with increasing coefficient of variation of the pore radii CV and decreasing pore coordination number Z. The third moment was negative and its magnitude grew linearly with time, meaning that the simulated dispersion was intrinsically non-Fickian. The statistics of the Eulerian mean fluid velocities $\hat{u}_i$, the Taylor dispersion coefficients $\hat{D}_i$ and the transit times $\hat{t}_i$ were very complex and strongly affected by CV and Z. In particular, the probability of occurrence of negative velocities grew with increasing CV and decreasing Z. Hence, backward and forward transit times had to be distinguished. The high-τ branch of the transit-times probability curves had a power law form associated to non-Fickian behavior. However, the exponent was insensitive to pore connectivity, although variations of Z affected the third moment growth. Thus, we conclude that both the low- and high-τ branches played a role in generating the observed non-Fickian behavior.

Li, Min↗

Mixing in Low Reynolds Number Reacting Impinging Jets in Crossflow

Previous efforts to model uranyl fluoride formation in an impinging jet gas reactor underpredicted spatial mixing and overpredicted chemical conversion into particulates. The previous fluid dynamics model was based on the solution of the Reynolds Averaged Navier Stokes equations. After simulating fluid dynamics, aerosol dynamics were superimposed onto CFD-simulated gas reactant species concentrations. The current work explores the influence of complex unsteady flow features on the overall flow physics and chemistry for a low Reynolds number, opposed flow, impinging jet gas reactor where there is a low Reynolds number cross flow. The objective of this study was to assess the impact of model formulation on scalar mixing and transport. Here, transient flow simulations were performed using Scale Resolving Simulations. Large-Eddy Simulations with the dynamic Smagorinsky turbulence model were performed along with simulations which directly resolved the flow. Average and root-mean-square (RMS) velocities and species concentrations were computed along with modeled and resolved turbulence kinetic energy (TKE), modeled turbulence dissipation, and modeled turbulent viscosity. Lagrangian flow tracers were also used to quantify species concentrations along path lines emanating from the jet tips. Transient simulation data were compared to results from RANS simulations using the k-ω shear stress transport (SST) model and Reynolds Stress Model (RSM). Transient simulations showed spatial mixing patterns which were more consistent with experimental data and helped elucidate the process of particle formation observed in experiments.

42 ENGINEERING↗

Development of a Method for Shape Optimization for a Gas Turbine Fuel Injector Design Using Metal-Additive Manufacturing

Adjoint shape optimization has enabled physics-based optimal designs for aerodynamic surfaces. Additive manufacturing (AM) makes it possible to manufacture complex shapes. However, there has been a gap between optimal and manufacturable surfaces due to the inherent limitations of commercial computational fluid dynamics (CFD) codes to implement geometric constraints during adjoint computation. In such cases, the design sensitivities are exported and used to perform constrained shape modifications using parametric information stored in computer aided design (CAD) files to satisfy manufacturability constraints. However, modifying the design using adjoint methods in CFD solvers and performing constrained shape modification in CAD can lead to inconsistencies due to different shape parameterization schemes. This paper describes a method to enable the simultaneous optimization of the fluid domain and impose AM manufacturability constraints, resolving one of the key issues of geometry definition for isogeometric analysis. Similar to a grid convergence study, the proposed method verifies the consistencies between shape parameterization techniques present within commercial CAD and CFD software during mesh movement as a part of the adjoint shape optimization routine. By identifying the appropriate parameters essential to a shape optimization study, the error metric between the different parameterization techniques converges to demonstrate sufficient consistencies for justifiable exchange of data between CAD and CFD. For the identified shape optimization parameters, the error metric to measure the deviation between the two parameterization schemes lies within the AM laser-powder bed fusion (L-PBF) process tolerance. Additionally, comparison for subsequent objective function calculations between iterations of the optimization loop showed acceptable differences within 1% variation between the modified geometries obtained using the two parameterization schemes. This method provides justification for the use of multiphysics guided adjoint design sensitivities computed in CFD software to perform shape modifications in CAD to incorporate AM manufacturability constraints during the shape optimization loop such that optimal designs are also additively manufacturable.

33 ADVANCED PROPULSION SYSTEMS↗

COVID-19 biomarkers based on respiratory microbiome content

COVID-19 patient care management would greatly benefit from new tools that enable accurate assessment of disease severity and stage, potentially enabling a personalized medicine approach. Detection of the SARS-CoV-2 virus itself, or even quantitation of viral loads, is not sufficient for accurate assessment of disease state beyond diagnosis of infection [eg, doi:10.1093/cid/ciaa344]. Levels of usual suspect protein biomarkers associated with host response to infection [eg, C-reactive protein (CRP); cytokines like IL-6, TNF-alpha, and IL-10; complement proteins like C3a and C5a], and of individual blood cell types (eg, leukocytes, lymphocytes, and subsets thereof), show limited correlation with disease severity and stage, with high patient-to-patient and study-to-study variability [eg, doi:10.1093/cid/ciaa248]. High-dimensional panels of biomarkers should have greater predictive power and resilience to unavoidable sources of variability; however, their assembly from proteins and cell types is extremely difficult, due to technical limitations in analyte measurement, especially with regard to starting material requirements and detection sensitivity. Host response profiling through Next Generation Sequencing (NGS) of gene expression patterns (ie, RNA-Seq) is a promising approach, but at the time of this project there were only two publicly available datasets of relevance [doi:10.1093/cid/ciaa203, doi:10.1080/22221751.2020.1747363], and close inspection of them revealed that each had at least one major flaw that severely undermined its value in supporting robust analysis of host response to SARS-CoV- 2 infection. However, the first of these studies [doi:10.1093/cid/ciaa203] fortuitously collected NGS data not only from host cells, but also from bacteria present in bronchoalveolar lavage fluid (BALF) recovered from COVID-19 patients; and because the respiratory microbiome (in terms of bacterial species content) is far less complex than the human transcriptome, the NGS data collected were sufficient to provide coverage depth supporting robust analysis. Surprisingly, the authors of the study did not carry out a detailed analysis of these data and their potential for revealing important new information about COVID-19. Therefore, we carried out a meta-analysis of the dataset as a first step in evaluating the potential for profiling of respiratory microbiome dynamics as a means of accurately assessing COVID-19 disease state.

59 BASIC BIOLOGICAL SCIENCES↗

Experimental evaluation of a pilot multinozzle-duct apparatus

A pilot multinozzle and duct were tested at ambient enthalpy to evaluate the suitability of such apparatus for testing thermal protection system panels mounted in the sidewalls of the duct downstream of the nozzle array. The flow field in the duct was complex: effects of wakes and shock waves from the nozzle dominated the flow field; the wakes continually mixed with the surrounding fluid; the boundary layer on the sidewalls of the duct was nonuniform; and near the exit of the duct the sidewall pressure variation was as much as 8.5 percent about the mean wall pressure. Starting loads on the duct walls were higher than those of a similar conventional nozzle and duct. It was concluded that the multinozzle-duct apparatus was not suitable for testing TPS panels, although the design and flow-field information should be of interest to designers of high-energy gasdynamic lasers.

Puster, R. L.↗

Thermal environment around the Space Shuttle with hot-gas jets for ice suppression

To prevent prelaunch ice formation on the external tank of the Space Shuttle, the final selected approach is to heat the surrounding air with vertical hot-gas jets located at the launch pad. This approach was considerably more cost-effective than other ice suppression methods considered, although its feasibility was not easily discernible due to the complex flowfield interactions. This paper describes how the use of vertical jets was first evaluated with the aid of a computational fluid dynamics (CFD) technique. An existing general-purpose CFD program (PHOENICS) was used to predict the thermal environment around the Shuttle under various jet configurations and wind conditions. The program accounts for effects of buoyancy, turbulence, and structural obstructions in the flowfield. The computed results showed physically plausible and consistent trends. The wind wake effects were found to be significant, and normally resulted in higher temperatures on the leeward side of the tank. High wind conditions were found to be more severe than calm wind conditions. The use of four jets with two different temperatures was identified as a promising option in which the air temperatures were raised sufficiently to prevent ice formation on the external tank, without excessive increase in Orbiter surface temperature. The use of the numerical model also facilitated the selection of test configurations and a test matrix for verifying the approach. Selected results of an experimental verification (by using a 2 percent scale model in a wind tunnel) are also presented.

Singhal, A. K.↗

Numerical simulation of single and multiple jet interaction within a combustor

Single and multiple jet interaction in a combustor is simulated numerically to determine the effects of various k-epsilon models and boundary conditions as part of an attempt to understand the physics of the flow field inside the preburner of the Space Shuttle Main Engine. Due to the complexity of the physical and chemical phenomena involved, the model is simplified to two dimensions and a single-component nonreacting fluid. The computer code used is the modified TEACH code, which is a steady state isothermal fluid code using the SIMPLE algorithm. The physical validity and numerical accuracy of the model are established through comparisons with experimentally determined isothermal flow fields in a combustor.

Bai, S. Don↗

Hypersonic propulsion: Status and challenge

Scientists in the U.S. are again focusing on the challenge of hypersonic flight with the proposed National Aerospace Plane (NASP). This renewed interest has led to an expansion of research related to high speed airbreathing propulsion, in particular, the supersonic combustion ramjet, or scramjet. The history is briefly traced of scramjet research in the U.S., with emphasis on NASA sponsored efforts, from the Hypersonic Research Engine (HRE) to the current status of today's airframe integrated scramjets. The challenges of scramjet technology development from takeover to orbital speeds are outlined. Existing scramjet test facilities such as NASA Langley's Scramjet Test Complex as well as new high Mach number pulse facilities are discussed. The important partnership role of experimental methods and computational fluid dynamics is emphasized for the successful design of single stage to orbit vehicles.

Guy, R. Wayne↗

Gravity Effects in Diffusive Coarsening of Bubble Lattices: von Neumann's Law

von Neumann modelled the evolution of two-dimensional soap froths as a purely diffusive phenomenon; the area growth of a given cell was found to depend only on the geometry of the bubble lattice. In the model, hexagons are stable, pentagons shrink and heptagons grow. The simplest equivalent to the area growth law is / approximately t(sub beta). The result depends on assuming (1) an incompressible gas; (2) bubble walls which meet at 120 deg and (3) constant wall thickness and curvature. Each assumption is borne out in experiments except the last one: bubble wall thickness between connecting cells varies in unit gravity because of gravity drainage. The bottom part of the soap membrane is thickened, the top part is thinned, such that gas diffusion across the membrane shows a complex dependence on gravity. As a result, experimental tests of von Neumann's law have been influenced by effects of gravity; fluid behavior along cell borders can give non-uniform wall thicknesses and thus alter the effective area and gas diffusion rates between adjacent bubbles. For area plotted as a function of time, Glazier (J.A. Glazier, S.P. Gross, and I. Stavans, Phys. Rev. A. 36, 306 (1987); J. Stavans, J.A, Glazier, Phys. Rev. Lett. 62, 1318 (1989).) suggest that in some cases their failure to observe von Neumann's predicted growth exponent ((sup beta)theor(sup =1; beta)exp(sup =0.70 + 0.10)) may have been the result of such "fluid drainage onto the lower glass plate". Additional experiments which varied plate spacing gave different beta exponents in a fashion consistent with this suggestion. During preliminary long duration experiments (approximately 100 h) aboard Spacelab-J, a low-gravity test of froth coarsening has examined (1) power law scaling of von Neumann's law (beta values) in the appropriate diffusive limits; (2) new bubble lattice dynamics such as greater fluid wetting behavior on froth membranes in low gravity; and (3) explicit relations for the gravity dependence of the second moment (or disorder parameter) governing the geometric spread in cell-sidedness around the mean of perfect hexagonal filling. By reducing the gravity-induced distortion in lattice wall thickness, the diffusion-limited regime of bubble coarsening becomes available for performing critical tests of network dynamics.

Noever, David A.↗

The SHIVA Project: Spaceflight Holography in a Virtual Apparatus

The poster summarizes theoretical and experimental concepts used in the development of the proposed NASA flight experiment SHIVA (Spaceflight Holography in a Virtual Apparatus). SHIVA exploits a unique holography-based, diagnostics tools to understand the behavior of small particles subjected to transient accelerations. Flight experiment protocols and apparatus will test model equations, characterize the acceleration environment and other microgravity phenomena. The primary objective of SHIVA is to enhance the current understanding of complex dynamics of small particles subjected to transient microgravity conditions. Existing theory did not fully describe the movement of particles in fluids in the microgravity environment. Results from recent ground-based experiments and comparison with the model recently developed by Rangel and Coimbra are presented.

Jim Trolinger↗

Monte Carlo Methodology Serves Up a Software Success

Widely used for the modeling of gas flows through the computation of the motion and collisions of representative molecules, the Direct Simulation Monte Carlo method has become the gold standard for producing research and engineering predictions in the field of rarefied gas dynamics. Direct Simulation Monte Carlo was first introduced in the early 1960s by Dr. Graeme Bird, a professor at the University of Sydney, Australia. It has since proved to be a valuable tool to the aerospace and defense industries in providing design and operational support data, as well as flight data analysis. In 2002, NASA brought to the forefront a software product that maintains the same basic physics formulation of Dr. Bird's method, but provides effective modeling of complex, three-dimensional, real vehicle simulations and parallel processing capabilities to handle additional computational requirements, especially in areas where computational fluid dynamics (CFD) is not applicable. NASA's Direct Simulation Monte Carlo Analysis Code (DAC) software package is now considered the Agency s premier high-fidelity simulation tool for predicting vehicle aerodynamics and aerothermodynamic environments in rarified, or low-density, gas flows.

Source record↗

AirShow 1.0 CFD Software Users' Guide

AirShow is visualization post-processing software for Computational Fluid Dynamics (CFD). Upon reading binary PLOT3D grid and solution files into AirShow, the engineer can quickly see how hundreds of complex 3-D structured blocks are arranged and numbered. Additionally, chosen grid planes can be displayed and colored according to various aerodynamic flow quantities such as Mach number and pressure. The user may interactively rotate and translate the graphical objects using the mouse. The software source code was written in cross-platform Java, C++, and OpenGL, and runs on Unix, Linux, and Windows. The graphical user interface (GUI) was written using Java Swing. Java also provides multiple synchronized threads. The Java Native Interface (JNI) provides a bridge between the Java code and the C++ code where the PLOT3D files are read, the OpenGL graphics are rendered, and numerical calculations are performed. AirShow is easy to learn and simple to use. The source code is available for free from the NASA Technology Transfer and Partnership Office.

Mohler, Stanley R., Jr.↗