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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impact of Variable Gas Mixtures on Bubble Size Distribution and Mass Transfer in Gas Fermentation Reactors

Gas fermentation has emerged as a promising new technology for the generation of fuels and chemicals from mixtures of greenhouse and energy rich gas streams (CO2/CH4/H2/CO) via microbial bioreaction. Example pathways include biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Effective Gas-liquid mass-transfer is an important physical phenomenon that determines the design and scale-up of these systems. There is currently a knowledge-gap regarding bubble-size distributions when using a mixture of gases with vastly different properties, which can have a significant impact on overall mass-transfer. For example, hydrogen bubbles are more buoyant compared to other relatively heavier gases (CO2/CH4/CO), resulting in a large distribution of residence times and bubble sizes. This work therefore develops a deeper understanding of bubble dynamics and interphase mass transfer in such heterogenous gas mixtures through well-resolved computational models. We use a detailed multiphase computational-fluid-dynamics (CFD) model to study the impact of gas-mixtures on overall mass-transfer in bubble column and air-lift reactors. The CFD tool previously developed by the authors (1) for simulating aerobic fermentation reactors at scale is used in this study. The Reynolds-averaged mass, momentum, energy, and species transport equations are solved for interpenetrating gas and liquid phase in this model. We use a population balance-based bubble-size-distribution model that is validated against small-scale experiments in our solver. Results pertaining to multiple simulations of gas-fermentation reactors are presented where gas mixtures with varying compositions of CO2/CH4/CO/H2 are imposed at the sparger boundaries. The spatio-temporal variations in bubble-size distribution and mass transfer coefficient is analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Multiphysics Computational-Fluid-Dynamics (CFD) for Design and Scale-Up of Gas Bioreactors that Utilize CO2

Gas fermentation technology offers sustainable and high carbon-efficiency routes to fuels and chemicals. However, efficiently delivering low-solubility substrate gases to production-scale bioreactors is a significant technical challenge that could limit productivity. We perform fundamental and applied multiphysics computational fluid dynamics (CFD) research targeting specific challenges of gas delivery in fermentation systems that utilize varied gas-compositions, for e.g. CO2/CO/CH4/H2 substrates: bubble dynamics, coupled mass-transfer and reaction, that can lead to optimal reactor designs at scale. This work will support BETO goals towards greenhouse gas reduction, derisking technologies toward commercialization/deployment and sustainable-aviation-fuel synthesis targets.

BIOMASS FUELS↗
NASA NTRS2007

Density and Cavitating Flow Results from a Full-Scale Optical Multiphase Cryogenic Flowmeter

Liquid propulsion systems are hampered by poor flow measurements. The measurement of flow directly impacts safe motor operations, performance parameters as well as providing feedback from ground testing and developmental work. NASA Marshall Space Flight Center, in an effort to improve propulsion sensor technology, has developed an all optical flow meter that directly measures the density of the fluid. The full-scale sensor was tested in a transient, multiphase liquid nitrogen fluid environment. Comparison with traditional density models shows excellent agreement with fluid density with an error of approximately 0.8%. Further evaluation shows the sensor is able to detect cavitation or bubbles in the flow stream and separate out their resulting effects in fluid density.

Korman, Valentin↗
DOE OSTI2022

Capillary Pressure to Relative Permeability: Task 7.3.4 Relative Permeability Analysis Final Report

Surface tension affects all aspects of fluid flow in porous media. Through measurements of surface tension interaction under multiphase conditions, a relative permeability relationship can be determined. Relative permeability is a numerical description of the interplay between two or more fluids and the porous media they flow through. It is a critical parameter for various tools used to characterized subsurface multiphase flow systems, such as numerical simulation for oil and gas development, carbon sequestration, and groundwater contamination remediation. Therefore, it is critical to get a good statistic distribution of relative permeability in the porous media under study. Empirical relationships for determining relative permeability from capillary pressure are already well established but do not provide the needed flexibility required to match laboratory derive relative permeability relationships. By expanding the existing methods for calculating relative permeability from capillary pressure data, it is possible to create both two and three-phase relative permeability relationships. Existing laboratory-measured relative permeability data along with mercury intrusion capillary (MICP) data coupled with interfacial tension and contact angle measurements were used to determine the efficacy of this approach to relative permeability curve creation. The relative permeability relationships determined with this method were fit to existing laboratory data to elucidate common fitting parameters that were then used to create relative permeability relationships from MICP data that does not have an associated laboratory-measured relative permeability relationship.

58 GEOSCIENCES↗
DOE OSTI2021

TOUGH-RFPA: Coupled thermal-hydraulic-mechanical Rock Failure Process Analysis with application to deep geothermal wells

This paper presents a coupled thermal-hydraulic-mechanical (THM) model for simulating failure processes in geological media. The coupling between stress/strain and heat transfer describing how thermal expansion affects stress is based on the theory of thermo-elasticity. Additionally, the coupling between stress/strain and fluid flow describing how pore-pressure affects stress is governed by Biot's consolidation theory. Stress/strain-dependent porosity/permeability/capillary-pressure defines the influence of stress on fluid flow and thermal fields. The THM model is implemented in the solver module that links the multiphase, multicomponent fluid flow simulator TOUGH2 with the geomechanical simulator RFPA (Rock Failure Process Analysis), which is based on the concept that heterogeneity leads to non-linearity and progressive failure behavior. Capability of TOUGH-RFPA simulator was verified by two benchmark problems related to hydraulic-mechanical and thermal-mechanical response in a hollow cylinder. Then the applicability of TOUGH-RFPA was demonstrated for modeling cooling-induced damage around a very deep geothermal well with mesoscopic heterogeneous properties, which showed complex damage evolution and fracturing during well cooling and fluid pressurization.

42 ENGINEERING↗
NASA NTRS1996

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

Chen, Yen-Sen↗
DOE OSTI2020

Flow-Driven Branching in a Frangible Porous Medium

Channel formation and branching is widely seen in physical systems where movement of fluid through a porous structure causes the spatiotemporal evolution of the medium. We provide a simple theoretical framework that embodies this feedback mechanism in a multiphase model for flow through a frangible porous medium with a dynamic permeability. Numerical simulations of the model show the emergence of branched networks whose topology is determined by the geometry of external flow forcing. Furthermore, this allows us to delineate the conditions under which splitting and/or coalescing branched network formation is favored, with potential implications for both understanding and controlling branching in soft frangible media.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗
NASA NTRS1993

Radiation/convection coupling in rocket motor and plume analysis

A method for describing radiation/convection coupling to a flow field analysis was developed for rocket motors and plumes. The three commonly used propellant systems (H2/O2, RP-1/O2, and solid propellants) radiate primarily as: molecular emitters, non-scattering small particles (soot), and scattering larger particles (Al2O3), respectively. For the required solution, the divergence of the radiation heat flux was included in the energy equation, and the local, volume averaged intensity was determined by a solution to the radiative transfer equation. A rigorous solution to this problem is intractable, therefore, solution methods which use the ordinary and improved differential approximation were developed. This radiation model was being incorporated into the FDNS code, a Navier-Stokes flowfield solver for multiphase, turbulent combusting flows.

Saladino, A. J.↗
DOE OSTI2025

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE neams program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING↗
DOE OSTI2023

Developing Enzyme Immobilization with Fibrous Membranes: Longevity and Characterization Considerations

Fibrous membranes offer broad opportunities to deploy immobilized enzymes in new reactor and application designs, including multiphase continuous flow-through reactions. Enzyme immobilization is a technology strategy that simplifies the separation of otherwise soluble catalytic proteins from liquid reaction media and imparts stabilization and performance enhancement. Flexible immobilization matrices made from fibers have versatile physical attributes, such as high surface area, light weight, and controllable porosity, which give them membrane-like characteristics, while simultaneously providing good mechanical properties for creating functional filters, sensors, scaffolds, and other interface-active biocatalytic materials. This review examines immobilization strategies for enzymes on fibrous membrane-like polymeric supports involving all three fundamental mechanisms of post-immobilization, incorporation, and coating. Post-immobilization offers an infinite selection of matrix materials, but may encounter loading and durability issues, while incorporation offers longevity but has more limited material options and may present mass transfer obstacles. Coating techniques on fibrous materials at different geometric scales are a growing trend in making membranes that integrate biocatalytic functionality with versatile physical supports. Biocatalytic performance parameters and characterization techniques for immobilized enzymes are described, including several emerging techniques of special relevance for fibrous immobilized enzymes. Diverse application examples from the literature, focusing on fibrous matrices, are summarized, and biocatalyst longevity is emphasized as a critical performance parameter that needs increased attention to advance concepts from lab scale to broader utilization. This consolidation of fabrication, performance measurement, and characterization techniques, with guiding examples highlighted, is intended to inspire future innovations in enzyme immobilization with fibrous membranes and expand their uses in novel reactors and processes.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

Vortex generator for flow control

Fluidics flow control of a multiphase supply using a cylindrical chamber is achieved by introducing the supply flow radially into the chamber. The supply flow exits through a port in the center at the chamber. A control fluid is then introduced tangentially about 90.degree. upstream from the supply port. A second control fluid port may be added about 90.degree. upstream from the first control fluid port, but preferably two sets of supply and control ports are added with like ports diametrically opposite each other. The control fluid flows against the circular wall of the control chamber, which introduces a vortex in the flow of the supply flow that decays into a spiral path to the exit port in the center of the chamber. The control flow rate may thus be used to control the spiral path, and therefore the supply flow rate through the exit port.

Collins, Jr., Earl R.↗
NASA NTRSDate not supplied

Launching Liquid Slugs Through Tube Networks: Investigating Multiphase Liquid Slug Acceleration Behaviors in Spacecraft Propulsion Systems using 3D Multiphase VOF CFD Simulations and High-Speed Flow-Visualization Validation Experiments

Propellant management in spacecraft propulsion systems is complex. In many current and future crewed and robotic spacecraft propulsion systems, a number of unintended or unavoidable scenarios can occasionally lead to liquid “slugs” of propellant accumulating in unwanted locations and thereafter being rapidly accelerated through complex and arbitrary tubing networks otherwise filled with vapor or gas. To develop better understanding of the multiphase fluid dynamics associated with these “slug launch” scenarios, NASA Marshal Space Flight Center’s (MSFC) ER42 branch – the propulsion fluid dynamics research branch – conducted 3D multiphase transient Volume of Fluid (VOF) CFD simulations using an in-house tool called LOCI-Stream VOF on semi-canonical tube networks with straight sections, bends, and bend complexes. In addition, high-speed flow visualization validation experiments using propellants were conducted on similar tube network geometries at the NASA White Sands Test Facility (WSTF). These simulations and flow-visualization experiments found these scenarios lead to a variety of unique multiphase fluid dynamic effects involving the leading and trailing edges of the slug in both straight sections and curved bends as well as the progressive erosion, acceleration, and eventual “punch-through” of the driving gas through the liquid slug. Understanding these multiphase fluid dynamic effects has led to unique and often counter-intuitive observations which have been of critical relevance to important engineering concerns associated with these “slug launch” scenarios.

Multiphase Fluid Dynamics↗
DOE OSTI2020

A simple and effective five-equation two-phase numerical model for liquid-vapor phase transition in cavitating flows

Numerical difficulties, notably the non-monotonic behavior of the Wood speed of sound and the volume fraction positivity, associated with the reduced five-equation two-phase flow model of Kapila et al. (2001) [A.K. Kapila, R. Menikoff, J.B. Bdzil, S.F. Son, D.S. Stewart, 2001. Two-phase modeling of deflagration-to-detonation transition in granular materials: reduced equations, Physics of Fluids 13(10), 3002–3024] have been resolved in the past through the introduction of a frozen speed of sound and an algebraic approach for mechanical relaxation afforded by a pressure non-equilibrium six-equation model proposed by [R. Saurel, F. Petitpas, R.A. Berry, 2009. Simple and efficient relaxation methods for interfaces separating compressible fluids, cavitating flows and shocks in multiphase mixture, J. Comput. Phys. 228, 1678–1712]. By contrast, it is explored and demonstrated in this work that these difficulties can in fact still be resolved within the numerical scheme for solving the reduced five-equation model by numerically replacing the Wood speed of sound for the estimates of wave speeds in the approximate Riemann solver HLLC with the monotonic mixture speed of sound for a transport five-equation model. For shock interface (artificial mixture separating pure or nearly pure fluids) interaction problems, with the apparent advantage of monotonic behavior of the speed of sound in the interface, the effect of the numerical replacement is also confined to the interface. Differences other than the behavior of the speed of sound within the interface in the solutions due to the replacement diminish with increasing resolution when reasonable solution can be obtained with Wood speed of sound. For cavitating/expansion problems in physical fluid mixture, it is pointed out and explained why acoustics in the numerical solutions still propagate at the Wood speed of sound (therefore consistent with the reduced five-equation model) even though in some cases a much higher speed of sound like the numerical replacement above for solving the reduced five-equation model or the frozen speed of sound for solving a six-equation model is used for the estimates of wave speeds in the HLLC scheme. A variant of the five-equation two-phase flow model by Saurel et al. (2008) [R. Saurel, F. Petitpas, R. Abgrall, 2008. Modelling phase transition in metastable liquids: application to cavitating and flashing flows, J. Fluid Mech. 607, 313–350] is then constructed for liquid-vapor phase transition in cavitating flows. The relaxation toward thermo-chemical equilibrium during phase transition is achieved by solving a simple system of algebraic equations for the equilibrium state variables for better efficiency, following Pelanti and Shyue (2014) [M. Pelanti, K.-M. Shyue, 2014. A mixture-energy-consistent six-equation two-phase numerical model for fluid with interfaces, cavitation and evaporation waves. J. Comput. Phys. 259, 331–357]. Therefore, the current model retains both the simplicity afforded by the five-equation model and the efficiency of the algebraic relaxation solver. An alternative algebraic approach for handling the non-conservative term (the so-called K∇ · u term) in the reduced five-equation model for mechanical equilibrium of a liquid-vapor mixture is also explored by enforcing the thermal equilibrium at the same time. Finally, numerical results of sample tests in both one and two dimensions in the literature as well as that in three dimensions demonstrate the effectiveness and ability of the proposed model to simulate cavitating flows. An interesting mechanism of shock generation by acoustics in water due to phase transition is then found by the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

High-speed characterization of two-phase flow and bubble dynamics in titanium felt porous media for hydrogen production

Bubble dynamics and two-phase flow phenomena are closely related to the performance of proton exchange membrane electrolyzer cells (PEMECs). This paper reports an in-situ study of the oxygen bubble behavior and associated multiphase evolutions in the anode side of PEMECs with titanium (Ti) felt liquid gas diffusion layers (LGDLs) by a high-speed visualization system. The micro oxygen bubble dynamics was captured and analyzed at different locations and virous operating conditions. The results show that the bubble detachment frequency and detachment diameter greatly increase with the operating current density. Additionally, they are significantly impacted by the local pore structure and morphology of Ti felt LGDLs. In the flow channels, there exist only several discrete micro bubbles at a low current density (0.04 A/cm 2 ) and a large flow velocity (133 mm/s). At a current density (0.2 A/cm 2 ) and a flow velocity (67 mm/s), a number of gas slugs are formed in the follow channels, in addition to discrete micro bubbles. At a high current density (1 A/cm 2 ) and a flow velocity (67 mm/s), more bubbles appear in the channel, and the flow field is dominated by slug or annular flows. These investigations can help to better understand the two-phase flow and bubble detachment mechanism, and provide a foundation for electrochemical reaction, multiphase flow studies and optimize the design of gas diffusion layers and flow fields for PEMECs in the future.

08 HYDROGEN↗
DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A numerical study of particle jetting in a dense particle bed driven by an air-blast

In this work, the particle jetting behavior in a blast-driven dense particle bed is studied at early times. Four-way coupled Euler–Lagrange simulations are performed using a high-order discontinuous Galerkin spectral element solver coupled with a high-order Lagrangian particle solver, wherein the inter-particle collisions are resolved using a discrete element method collision model. Following the experiments of Rodriguez et al. [“Formation of particle jetting in a cylindrical shock tube,” Shock Waves 23(6), 619–634 (2013)] and the simulations of Osnes et al. [“Numerical simulation of particle jet formation induced by shock wave acceleration in a Hele-Shaw cell,” Shock Waves 28(3), 451–461 (2018)], the simulations are performed in a quasi-two-dimensional cylindrical geometry (Hele-Shaw cell). Parametric studies are carried out to assess the impact of the coefficient of restitution and the strength of the incident shock on the particle jetting behavior. The deposition of vorticity through a multiphase (gas–particle) analog of Richtmyer–Meshkov instability is observed to play a crucial role in channeling the particles into well-defined jets at the outer edge of the particle bed. This is confirmed by the presence of vortex pairs around the outer jets. Furthermore, the effect of the relaxation of the relative velocity between the two phases on the vorticity generation is explored by analyzing the correlation between the radial velocity of particles and the radial velocity of the gas at the particle location.

42 ENGINEERING↗