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Results for “reactive flow validation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Validation of Reactive Flow Capabilities in PAGOSA

Several reactive flow modeling capabilities are studied and applied to physics problems of interest in the PAGOSA hydrocode with an emphasis on validation. The Davis equation of state and the Arrhenius shock temperature dependent WSD (AWSD) reactive flow model have been implemented by the author in PAGOSA over the last year. These high-explosive modeling options along with the previously existing HE-JWL equation of state and the SURF/SURFplus reactive flow models are discussed, exercised and compared. Validation of the models analyze numerical results against experimental data from cylinder tests, two-stage gas gun experiments and proton radiography (pRad) experiments. Applications of the modeling options are explored involving both HMX based PBX 9501 and TATB based PBX 9502. The effect of mesh size is considered for prediction of phenomena such as corner turning and dead zones, and the relative code performance of the modeling options is discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1995

PDF methods for turbulent reactive flows

Viewgraphs are presented on computation of turbulent combustion, governing equations, closure problem, PDF modeling of turbulent reactive flows, validation cases, current projects, and collaboration with industry and technology transfer.

Hsu, Andrew T.↗
NASA NTRS1998

A Gas-Kinetic Scheme for Reactive Flows

In this paper, the gas-kinetic BGK scheme for the compressible flow equations is extended to chemical reactive flow. The mass fraction of the unburnt gas is implemented into the gas kinetic equation by assigning a new internal degree of freedom to the particle distribution function. The new variable can be also used to describe fluid trajectory for the nonreactive flows. Due to the gas-kinetic BGK model, the current scheme basically solves the Navier-Stokes chemical reactive flow equations. Numerical tests validate the accuracy and robustness of the current kinetic method.

Lian,Youg-Sheng↗
DOE OSTI2024

Integration and validation of some modules for modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures

Three modules are integrated into the built-in OpenFOAM rhoCentralFoam solver towards accurate and efficient modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures within the OpenFOAM 10.0 framework. The first module is the mixture-averaged diffusion model. The second module is the built-in OpenFOAM Lagrangian solver coupled with optimised droplet drag coefficient and convective heat transfer coefficient sub-models. The last module is a sparse stiff chemistry solver based on dynamic adaptive hybrid integration (AHI-S). The optimised droplet sub-models are first verified in correct implementation for subsequent simulations in this work. Further, they show good accuracy against experimental and analytical data in the modelling of ammonia droplet acceleration and cooling in the flowing and/or low-temperature air. The accuracy and efficiency gains related to the mixture-averaged diffusion model and the AHI-S chemistry solver are examined by simulating 1-D detonation propagation in ammonia droplet-free/laden ammoniaoxygen mixtures. Numerical results of detonation propagation speed, gaseous temperature, density, and species distributions around the induction zone show good agreement with experimental data and analytical solutions. Compared to the built-in OpenFOAM diffusion model, the mixture-averaged diffusion model provides different numerical predictions of pulsating instabilities in detonation propagation. It shows better accuracy in depicting the detonation structure within the droplet-free section attributed to improved multi-component diffusion modelling. Compared to the built-in OpenFOAM solver EulerImplicit (backward Euler), the AHI-S chemistry solver reduces the computational cost by around 50%. It achieves satisfactory accuracy in calculating detonation propagation speed within the droplet-free section with the optimal efficiency when the safety factor, β, equals 0.5.

42 ENGINEERING↗
DOE OSTI2023

The reactive flow evolution of the polymer-bonded explosive PBX 9502: Experiments and model validation in extreme pressure regimes

The shock-to-detonation transition properties of the triaminotrinitrobenzene based PBX 9502 high explosive (HE) are experimentally and computationally explored in extremely high input pressure conditions. These include both slightly sub-Chapman–Jouguet and overdriven input pressure conditions, namely, ∼25 and ∼31 GPa, respectively. Our experiments capture the transient buildup of a shock-induced reaction via measurement of HE and polymethyl methacrylate window interface particle velocity profiles for a variety of sample thicknesses for this insensitive HE. These observations necessitate extremely thin explosive samples, and the high rates of reaction provide a considerable challenge to optical diagnostics. Samples at these thicknesses also provide an opportunity for evaluation of potential micro-structure effects on the resulting shock-to-detonation-transition measurements. To address this, the thin samples are also characterized via x-ray micro-computed tomography. Finally, a pair of previously established continuum-level detonation performance modeling approaches for PBX 9502 were used to analyze the experiments. The employed model variants crucially differ in their definition of each model’s empirical reaction rate functional form, utilization of shock state quantities, and local flow variable dependencies. As a result, the present experiments provide a novel platform to evaluate the quantitative and qualitative consequences stemming from these modeling choices in a challenging initiation scenario, largely beyond the chosen calibration range of either model. This new experimental information will provide a platform for both improved physics and model parameterizations for this well-studied explosive.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Validation of the RPLUS3D Code for Supersonic Inlet Applications Involving Three-Dimensional Shock Wave-Boundary Layer Interactions

A three-dimensional computational fluid dynamics code, RPLUS3D, which was developed for the reactive propulsive flows of ramjets and scramjets, was validated for glancing shock wave-boundary layer interactions. Both laminar and turbulent flows were studied. A supersonic flow over a wedge mounted on a flat plate was numerically simulated. For the laminar case, the static pressure distribution, velocity vectors, and particle traces on the flat plate were obtained. For turbulent flow, both the Baldwin-Lomax and Chien two-equation turbulent models were used. The static pressure distributions, pitot pressure, and yaw angle profiles were computed. In addition, the velocity vectors and particle traces on the flat plate were also obtained from the computed solution. Overall, the computed results for both laminar and turbulent cases compared very well with the experimentally obtained data.

Kapoor, Kamlesh↗
DOE OSTI2022

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗
DOE OSTI2025

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗
NASA NTRS1994

Numerical Simulation of Supersonic Compression Corners and Hypersonic Inlet Flows Using the RPLUS2D Code

A two-dimensional computational code, PRLUS2D, which was developed for the reactive propulsive flows of ramjets and scramjets, was validated for two-dimensional shock-wave/turbulent-boundary-layer interactions. The problem of compression corners at supersonic speeds was solved using the RPLUS2D code. To validate the RPLUS2D code for hypersonic speeds, it was applied to a realistic hypersonic inlet geometry. Both the Baldwin-Lomax and the Chien two-equation turbulence models were used. Computational results showed that the RPLUS2D code compared very well with experimentally obtained data for supersonic compression corner flows, except in the case of large separated flows resulting from the interactions between the shock wave and turbulent boundary layer. The computational results compared well with the experiment results in a hypersonic NASA P8 inlet case, with the Chien two-equation turbulence model performing better than the Baldwin-Lomax model.

Kapoor, Kamlesh↗
DOE OSTI2020

Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set

This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively--based on upscaled parameters such as surface area, solid volume, and effective reaction rate--and qualitatively--based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed for the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.

58 GEOSCIENCES↗
DOE OSTI2021

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

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

58 GEOSCIENCES↗
NASA NTRS1992

High spatial resolution measurements in a single stage ram accelerator

High spatial resolution experimental tube wall pressure measurements of ram accelerator gas dynamic phenomena are presented in this paper. The ram accelerator is a ramjet-in-tube device which operates in a manner similar to that of a conventional ramjet. The projectile resembles the centerbody of a ramjet and travels supersonically through a tube filled with a combustible gaseous mixture, with the tube acting as the outer cowling. Pressure data are recorded as the projectile passes by sensors mounted in the tube wall at various locations along the tube. Utilization of special highly instrumented sections of tube has allowed the recording of gas dynamic phenomena with high resolution. High spatial resolution tube wall pressure data from the three regimes of propulsion studied to date (subdetonative, transdetonative, and superdetonative) in a single stage gas mixture are presented and reveal the three-dimensional character of the flow field induced by projectile fins and the canting of the fins and the canting of the projectile body relative to the tube wall. Also presented for comparison to the experimental data are calculations made with an inviscid, three-dimensional CFD code. The knowledge gained from these experiments and simulations is useful in understanding the underlying nature of ram accelerator propulsive regimes, as well as assisting in the validation of three-dimensional CFD coded which model unsteady, chemically reactive flows.

Hinkey, J. B.↗
NASA NTRS2001

Modeling of dense reactive granular flows

A general model of dense granular flows derived elsewhere is here assessed to understand the validity of some of the assumptions embedded in the derivation.

granular↗
DOE OSTI2023

A level-set immersed boundary method for reactive transport in complex topologies with moving interfaces

A simulation framework based on the level-set and the immersed boundary methods (LS-IBM) has been developed for reactive transport problems in porous media involving a moving solid-fluid interface. The interface movement due to surface reactions is tracked by the level-set method, while the immersed boundary method captures the momentum and mass transport at the interface. The proposed method is capable of accurately modeling transport near evolving boundaries in Cartesian grids. The framework formulation guarantees second order accuracy in space. Since the interface velocity is only defined at the moving boundary, an interface velocity propagation method is also proposed. The method can be applied to other moving interface problems of the “Stefan” type. Here, we validate the proposed LS-IBM both for flow and transport close to an immersed object with reactive boundaries as well as for crystal growth. Lastly, the proposed method provides a powerful tool to model more realistic problems involving moving reactive interfaces in complex domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

SAS4A/SASSYS-1 Validation with FFTF Tests

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. In preparation for the Passive Safety Testing program, a series of individual reactivity feedback tests were performed which were designed to simulate and validate specific features and reactivity feedbacks of the FFTF core.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE for Molten Salt Reactor Application

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated two new models into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model and a Euler-Euler model. The Euler-Euler model offers higher fidelity, while the mixture drift-flux model provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model's accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase models implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, both models are applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of both models for capturing the two-phase flow dynamics critical to MSR operations.

42 - ENGINEERING↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated a new two-phase model into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model. It provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model’s accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase model implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, the model is applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of the mixture drift-flux model for capturing the two-phase flow dynamics critical to MSR operations

42 - ENGINEERING↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated two new models into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model and a Euler-Euler model. The Euler-Euler model offers higher fidelity, while the mixture drift-flux model provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model's accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase models implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, both models are applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of both models for capturing the two-phase flow dynamics critical to MSR operations.

42 - ENGINEERING↗