SEARCH · Engineering Papers

Results for “computational fluid dynamics simulation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 667 records · Page 37

All sources NASA NTRS DOE OSTI

NASA NTRS2007

Technical Evaluation Report for Symposium AVT-147: Computational Uncertainty in Military Vehicle Design

The complexity of modern military systems, as well as the cost and difficulty associated with experimentally verifying system and subsystem design makes the use of high-fidelity based simulation a future alternative for design and development. The predictive ability of such simulations such as computational fluid dynamics (CFD) and computational structural mechanics (CSM) have matured significantly. However, for numerical simulations to be used with confidence in design and development, quantitative measures of uncertainty must be available. The AVT 147 Symposium has been established to compile state-of-the art methods of assessing computational uncertainty, to identify future research and development needs associated with these methods, and to present examples of how these needs are being addressed and how the methods are being applied. Papers were solicited that address uncertainty estimation associated with high fidelity, physics-based simulations. The solicitation included papers that identify sources of error and uncertainty in numerical simulation from either the industry perspective or from the disciplinary or cross-disciplinary research perspective. Examples of the industry perspective were to include how computational uncertainty methods are used to reduce system risk in various stages of design or development.

Radespiel, Rolf↗

NASA NTRSDate not supplied

Comparison of OVERFLOW Computational and Experimental Results for a Blunt Mars Entry Vehicle Concept During Supersonic Retropropulsion

Simulations of supersonic retropropulsion (SRP) flow over a Hypersonic Inflatable Aerodynamic Decelerator (HIAD) blunt-body vehicle were performed using the Overflow Computational Fluid Dynamics (CFD) solver. Simulation conditions and geometry were designed to match specific test runs in the Descent System Study (DSS) testing campaign. The relative accuracy of simulation predictions are assessed by direct comparison to experimental data. Computational predictions of the SRP flowfield and bow shock shape are compared to experimental schlieren images. Comparisons of the model surface pressure environment are presented for unsteady and static discrete tap data as well as time-averaged Pressure-Sensitive Paint (PSP) data.

Supersonic Retropropulsion↗

DOE OSTI2022

Characterization of the Finite Element Computational Fluid Dynamics Capabilities in the Multiphysics Object Oriented Simulation Environment

We report the multiphysics object-oriented simulation environment (moose) is a code package that couples a variety of physics modules, allowing for highly accessible multiphysics simulations. The physics modules include a finite element Navier–Stokes (N–S) module that is designed to solve laminar fluid dynamics problems. The usage of this module in multiple recent studies coupled with the growing interest in moose for usage in nonlight water reactor safety studies by the Nuclear Regulatory Commission (NRC) prompted the authors to investigate the computational fluid dynamics capabilities of moose. A two-dimensional laminar flow past a circular cylinder scenario is simulated in the moose framework to investigate the effectiveness of the N–S module. Simulations assumed an unsteady laminar flow with a Reynolds number of 200. To verify the results from moose, similar simulations were conducted using the well-utilized simulation of turbulent flow in arbitrary regions—computational continuum mechanics C++ (star-ccm + ) finite volume code. Results from both codes are also compared to some results from literature. Velocity and pressure profiles of both transient simulations were compared. The numerical and input errors in moose are also visualized with contour plots to qualitatively understand the evolution of the errors across time and space. The comparisons between moose and star-ccm + showed nearly perfect agreement between the codes for velocity and pressure, especially after the development of the vortex street in later time-steps. The force coefficients showed excellent agreement after the development of the vortex street, but demonstrated notable discrepancies prior to the vortex street development, which is likely due to how each code simulated the approach to the vortex street in earlier time-steps.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1999

Combustion Instabilities Modeled

NASA Lewis Research Center's Advanced Controls and Dynamics Technology Branch is investigating active control strategies to mitigate or eliminate the combustion instabilities prevalent in lean-burning, low-emission combustors. These instabilities result from coupling between the heat-release mechanisms of the burning process and the acoustic flow field of the combustor. Control design and implementation require a simulation capability that is both fast and accurate. It must capture the essential physics of the system, yet be as simple as possible. A quasi-one-dimensional, computational fluid dynamics (CFD) based simulation has been developed which may meet these requirements. The Euler equations of mass, momentum, and energy have been used, along with a single reactive species transport equation to simulate coupled thermoacoustic oscillations. A very simple numerical integration scheme was chosen to reduce computing time. Robust boundary condition procedures were incorporated to simulate various flow conditions (e.g., valves, open ends, and choked inflow) as well as to accommodate flow reversals that may arise during large flow-field oscillations. The accompanying figure shows a sample simulation result. A combustor with an open inlet, a choked outlet, and a large constriction approximately two thirds of the way down the length is shown. The middle plot shows normalized, time-averaged distributions of the relevant flow quantities, and the bottom plot illustrates the acoustic mode shape of the resulting thermoacoustic oscillation. For this simulation, the limit cycle peak-to-peak pressure fluctuations were 13 percent of the mean. The simulation used 100 numerical cells. The total normalized simulation time was 50 units (approximately 15 oscillations), which took 26 sec on a Sun Ultra2.

Paxson, Daniel E.↗

DOE OSTI2021

Modeling Nanosecond-Pulsed Spark Discharge and Flame Kernel Evolution

Dilute combustion, either using exhaust gas recirculation or with excess air, is considered a promising strategy to improve the thermal efficiency of internal combustion engines. However, the dilute air-fuel mixture, especially under intensified turbulence and high-pressure conditions, poses significant challenges for ignitability and combustion stability, which may limit the attainable efficiency benefits. In-depth knowledge of the flame kernel evolution to stabilize ignition and combustion in a challenging environment is crucial for effective engine development and optimization. To date, a comprehensive understanding of ignition processes that result in the development of fully predictive ignition models usable by the automotive industry does not yet exist. Spark-ignition consists of a wide range of physics that includes electrical discharge, plasma evolution, joule-heating of gas, and flame kernel initiation and growth into a self-sustainable flame. In this study, an advanced approach is proposed to model spark-ignition energy deposition and flame kernel growth. To decouple the flame kernel growth from the electrical discharge, a nanosecond-pulsed high-voltage discharge is used to trigger spark-ignition in an optically accessible small ignition test vessel with a quiescent mixture of air and methane. Initial conditions for the flame kernel, including its thermodynamic state and species composition, are derived from a plasma-chemical equilibrium calculation. The geometric shape and dimension of the kernel are characterized using a multi-dimensional thermal plasma solver. Here, the proposed modeling approach is evaluated using a high-fidelity computational fluid dynamics procedure to compare the simulated flame kernel evolution against flame boundaries from companion Schlieren images.

42 ENGINEERING↗

DOE OSTI2025

Potential quantum advantage for simulation of fluid dynamics

Numerical simulation of turbulent fluid dynamics needs to either parametrize turbulence—which introduces large uncertainties—or explicitly resolve the smallest scales—which is prohibitively expensive. Here, we provide evidence through analytic bounds and numerical studies that a potential quantum speedup can be achieved to simulate fluid dynamics using quantum computing. Specifically, we provide a lattice Boltzmann formulation of fluid dynamics for which we give evidence that low-order Carleman linearization is much more accurate than previously believed for these systems. This is achieved via a combination of reformulating the Navier-Stokes nonlinearity (u·$\triangledown$u) to lattice-Boltzmann nonlinearity (u 2 ) and accurately linearizing the dynamical equations, which effectively trades nonlinearity for additional degrees of freedom that add negligible expense in the quantum solver. Based on this, we apply a quantum algorithm for simulating the Carleman-linearized lattice Boltzmann equation and provide evidence that its cost scales logarithmically with system size compared with polynomial scaling in the best known classical algorithms. In this paper, we suggest that a quantum advantage may exist for simulating fluid dynamics, paving the way for simulating nonlinear multiscale transport phenomena in a wide range of disciplines using quantum computing.

42 ENGINEERING↗

NASA NTRS2014

Self-Pressurization and Spray Cooling Simulations of the Multipurpose Hydrogen Test Bed (MHTB) Ground-Based Experiment

This paper presents a CFD (computational fluid dynamics) model for simulating the self-pressurization of a large scale liquid hydrogen storage tank. In this model, the kinetics-based Schrage equation is used to account for the evaporative and condensing interfacial mass flows. Laminar and turbulent approaches to modeling natural convection in the tank and heat and mass transfer at the interface are compared. The flow, temperature, and interfacial mass fluxes predicted by these two approaches during tank self-pressurization are compared against each other. The ullage pressure and vapor temperature evolutions are also compared against experimental data obtained from the MHTB (Multipuprpose Hydrogen Test Bed) self-pressurization experiment. A CFD model for cooling cryogenic storage tanks by spraying cold liquid in the ullage is also presented. The Euler- Lagrange approach is utilized for tracking the spray droplets and for modeling interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF (volume of fluid) model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux predicted by the model are presented. The ullage pressure is compared with experimental data obtained from the MHTB spray bar mixing experiment. The results of the models with only droplet/ullage heat transfer and with heat and mass transfer between the droplets and ullage are compared.

cryogenic fluid storage↗

NASA NTRSDate not supplied

Trajectory Engineering with Modular Patched Conics for Entry Systems and TPS (TEMPEST)

Brief Presenter Biography (35 word limit): Bohdan Wesely is an Aerospace Engineer in the Entry Systems and Technology Division at Ames. He has worked on a variety of projects for NASA including integrated TPS (thermal protection system) flight hardware deliveries and testing services for commercial partners. Introduction: TEMPEST is a new trajectory analysis framework that is designed to fill the gap between dedicated flight mechanics tools and aerothermal and TPS sizing tools. The project started as an SJSU master’s thesis and has since evolved into a general conceptual design tool capable of studying a wide variety of entry problems. Development is ongoing in the Entry Systems and Technology Division at NASA ARC. Why TEMPEST: Space missions involving entry into a planetary atmosphere involve a series of unique requirements across multiple disciplines. Whether it is traditional entry descent and landing (EDL), or aerocapture, the vehicle must navigate to its target landing location or orbit state, and the TPS must protect the payload during entry. The design process typically involves iterative handoffs between various flight mechanics, flow solver, and material response level tools. During the early conceptual phase, a wide variety of feasible trajectories are simulated in a Monte Carlo scenario which broadly satisfy the mission or landing requirements. Next, computational fluid dynamics (CFD), direct simulation Monte Carlo (DSMC), and other flow solver analyses are performed at various key trajectory points to generate an aero-database, heating and TPS design requirements also emerge at this stage. At this point, with updated aerodynamics from the various flow solvers, trajectories can be re-run, this in turn can change the required freestream conditions for the CFD tools, and as a project progresses, these analyses converge, and uncertainty is reduced. However, there is always a “hand-off” occurring between two inherently coupled phenomena. Analysis Description: One of the goals with TEMPEST is to use a variety of first principles estimation methods coupled with an atmosphere model to predict vehicle aerothermodynamics across the entire flight regime while propagating a 3 or 6 degree of freedom (DoF) trajectory. Aerodynamics methods include modified Newtonian, Maxwell and Cercignani- Lampis-Lord (CLL) for continuum, transitional, and free molecular flow regimes. Aerothermodynamics include boundary layer and reference enthalpy methods, and Mutation++ for non-equilibrium chemistry modeling. TEMPEST is also capable of stitching multiple trajectory segments together to study mission scenarios like multi-pass aerocapture and aero-gravity assists. Most of the program is implemented in MATLAB using modern system objects, it relies on several C++ shared libraries for supporting tools like Gmsh, the Global Reference Atmospheric Model (GRAM), and Mutation++. The various first principles aerothermal estimation methods are discretized across either a structured axisymmetric panel mesh or an unstructured tri-mesh generated from an open-source tool such as Gmsh, this allows solutions on the same mesh to be compared across tools such as CB-Aero. CFD Coupling. A physics-aware, gaussian process CFD anchoring scheme is proposed to adjust the various first principles methods as a CFD database is populated. One goal for this anchoring module is to inform the project where CFD should be run. Full knowledge of the entire trajectory, atmosphere, and aerothermodynamics allows for easier identification of high sensitivity areas and uncertainty quantification. While the first principles effects are well known and proven accurate in existing tools such as CB- Aero and Cart3D, a physics aware CFD anchoring scheme increases tool credibility across a project lifecycle. Material Response Modeling. Correct TPS sizing is critical for optimizing mass for science payloads and ensuring mission success. The process typically involves a thermal analysis along the trajectory with surface heating environments as a boundary condition. Several design constraints are maximum bondline temperature and maximum recession with various margining techniques. The material response tool FIAT, developed out of NASA Ames, is currently being integrated into the TEMPEST environment. TPS recession, shape change, mass loss, and mass property alteration are all factors that can perturb an entry trajectory. For missions like Mars 2020, recession was minimal and was safely handled separately as a post process. For missions such as Jupiter Galileo with a high TPS mass fraction or asteroid entries, recession plays a major role. The proposed fully coupled scheme is to use an epoch-based approach where the trajectory integration is halted after a recession threshold, the energy balance and FIAT are solved at each panel, the mesh, aerodynamics, and mass properties are updated, and the trajectory continues. Several computational tradeoffs have been made during the development of TEMPEST to limit the cost of a single trajectory and preserve its utility as a conceptual, rapid iteration tool. Conclusion: Development of TEMPEST is ongoing and the project is still in its infancy. This talk aims to showcase its unique capabilities to support future NASA entry systems missions.

Bohdan O Wesely↗

DOE OSTI2023

Helical Fins for Concentrated Solar Receivers: Design Optimization and Entropy Analysis

Concentrated solar power (CSP) with thermal energy storage (TES) has the potential to achieve grid parity. This can be realized by operating CSP systems at temperatures above 700 °C with high-efficiency sCO 2 power cycles. However, operating CSP systems at such temperatures poses several challenges, among which the design of solar receivers to accommodate increased thermal loads is critical. To this end, this work explores and optimizes various swirl-inducing internal fin designs for solar receiver tubes. These fin designs not only improve the thermal performance of receiver tubes but also levelize temperature unevenness caused by non-uniform thermal loading. In this work, the geometric parameters of the fin designs are optimized to maximize the Nusselt number with a constraint on the friction factor. This optimization, however, is computationally intensive, requiring hundreds of simulation calls to computational fluid dynamics (CFD) models. Here, to circumvent this problem, surrogate models are used to approximate the simulation outputs needed during the optimization. In addition, this study also examines the fin designs from an entropy generation perspective. To this end, the entropy contributions from thermal and viscous effects are quantitatively compared while varying the operational Reynolds number.

14 SOLAR ENERGY↗

NASA NTRS2020

Simulating the Benesov Bolide Flowfield and Spectrum at Altitudes of 47 and 57 km

This paper develops a computational fluid dynamics capability for simulating the radiative emission from a meteor shock-layer and wake to an external observer. The developed capability includes the impact of radiation and ablation on the meteor flowfield, where coupled radiation accounts for the impact of radiation on the flowfield energy equations and coupled ablation accounts for the injection of ablation species from the meteoroid surface into the ow. This capability includes updated flowfield chemistry and nonequilibrium radiation models, which are compiled from the literature. To provide a level of validation for this capability, the Benesov spectral measurements are considered. Although the meteoroid was likely fragmented at the 47 and 57 km altitudes considered, and the measurement uncertainty is roughly ±50%, these measurements represent the best available spectral measurements for a relatively large (meter-class) bolide. To determine the equivalent meteoroid diameter to simulate, the continuum component of the spectrum in the 570 to 610 nm range is considered. This range is dominated by air emission from the high pressure and temperature shock-layer in front of the meteoroid, which is simulated with a relatively small uncertainty (because of the abundance of relevant shock tube measurements) and sensitive to the equivalent meteoroid diameter. This allows an equivalent diameter between 0.62 to 0.9 m to be determined, based on comparisons between measurements and simulations in the 570 to 610 nm range. The range of equivalent diameters is due to the various meteoroid geometries considered, where increasing the bluntness decreases the required diameter. Applying these diameters to simulations at 47 and 57 km results in simulated spectra that compare within 30% of the measured values, considering the wavelength integrated values between 400 and 650 nm. This agreement is well within the estimated measurement uncertainty of ±50%. All major spectral features are captured by the simulations. This agreement provides a level of validation for the developed model that has not been previously available.

Luminous efficiency↗

DOE OSTI2026

Mesh-based multiphysics coupling acceleration for fusion neutronics through clustering for fusion blanket applications

Accurate modeling of particle transport within fusion blankets is essential for predicting performance metrics such as heat deposition and the tritium breeding ratio (TBR). However, high-fidelity coupling of thermal fluids from computational fluid dynamics (CFD) to neutronics simulations often incurs significant computational costs due to the complexity of surface intersection calculations in Monte Carlo codes. This paper presents an accelerated multiphysics coupling method for neutronics that utilizes hierarchical agglomerative clustering to map complex material property distributions to a neutronics model. Implemented within the fusion reactor design and assessment (FREDA) framework, the method leverages existing Python packages to automate the creation of clustered geometries for OpenMC. The approach is demonstrated on a sector model of an ARC-class tokamak with an immersion molten salt blanket, and an simple geometry with varying isotopic concentrations. Results show that the clustering method significantly reduces computational burden without compromising fidelity, providing a foundation for agile iteration of neutronics simulations involving multiple coupled material properties.

Bae, Jin Whan [ORNL] (ORCID:0000000326548907)↗

DOE OSTI2022

Effect of the J-Shaped Wind Turbine Airfoil Opening Ratio and Thickness on the Performance of Symmetrical Airfoils

Abstract In this work, the effect of the inner opening ratio on the J-shaped airfoils aerodynamic performance was studied and documented for symmetrical airfoils. Three different airfoil thicknesses were investigated: small (NACA0008), medium (NACA0015), and large (NACA0024). For each airfoil thickness, effects of three inner opening ratios were analyzed: one-third, one-half, and two-thirds. The performance of each opening ratio was compared with the performance of the solid airfoil “zero opening ratio” for different angles of attack between 5 deg and 20 deg. All designs were simulated using the computational fluid dynamics (CFD) technology against experimental results for solid NACA4412 airfoil in the University of Wisconsin-Milwaukee (UWM) wind tunnel facility and other published experimental data. It was found that large eddy simulation yields accurate solutions with a smaller number of mesh cells compared to the k–ω turbulence model but with much longer computational time. The lift-to-drag ratio for all studied airfoils has a maximum value for solid airfoils compared to those equipped with openings. For airfoils equipped with 00.00% opening ratio “solid,” NACA0015 airfoil has the maximum lift-to-drag ratio. Furthermore, it was found that NACA0008 equipped with a 33.33% opening ratio has the best performance of all studied J-shaped airfoils.

Energy & Fuels↗

NASA NTRS2006

CFD Simulation of the Space Shuttle Launch Vehicle with Booster Separation Motor and Reaction Control Plumes

The primary objective of this paper is to demonstrate the capability of computational fluid dynamics (CFD) to simulate a very complicated flow field encountered during the space shuttle ascent. The flow field features nozzle plumes from booster separation motor (BSM) and reaction control system (RCS) jets with a supersonic incoming cross flow at speed of Mach 4. The overset Navier-Stokes code OVERFLOW, was used to simulate the flow field surrounding the entire space shuttle launch vehicle (SSLV) with high geometric fidelity. The variable gamma option was chosen due to the high temperature nature of nozzle flows and different plume species. CFD predicted Mach contours are in good agreement with the schlieren photos from wind tunnel test. Flow fields are discussed in detail and the results are used to support the debris analysis for the space shuttle Return To Flight (RTF) task.

Gea, L. M.↗

NASA NTRS2006

CFD Simulation of the Space Shuttle Launch Vehicle with Booster Separation Motor and Reaction Control System Plumes

Gea, L. M.↗

NASA NTRS1991

FAST: A multi-processed environment for visualization of computational fluid

Three dimensional, unsteady, multizoned fluid dynamics simulations over full scale aircraft is typical of problems being computed at NASA-Ames on CRAY2 and CRAY-YMP supercomputers. With multiple processor workstations available in the 10 to 30 Mflop range, it is felt that these new developments in scientific computing warrant a new approach to the design and implementation of analysis tools. These large, more complex problems create a need for new visualization techniques not possible with the existing software or systems available as of this time. These visualization techniques will change as the supercomputing environment, and hence the scientific methods used, evolve ever further. Visualization of computational aerodynamics require flexible, extensible, and adaptable software tools for performing analysis tasks. FAST (Flow Analysis Software Toolkit), an implementation of a software system for fluid mechanics analysis that is based on this approach is discussed.

Bancroft, Gordon V.↗

DOE OSTI2020

Multiphase Reacting Flow Simulations and Optimization of Commercial-Scale Aerobic Bioreactors

Aerobic bioreactors are widely used in the synthesis of value-added products in pharmaceutical and biotechnology industries, wherein microbial bioreactions aid in the conversion of sugars to macromolecules. These reactors are also being actively investigated as a cost-effective pathway for the production of low-value commodities such as biofuels and animal feed. Reactor scale-up is one of the important challenges when designing these systems. Gas and liquid phase transport, mass-transfer, and mixing physics at large length scales can significantly affect microbial conversion rates, particularly when the microbial reaction requires a narrow set of conditions. These phenomena are difficult to study in small-scale bench-top reactors that are typically well-mixed. Predictive computational fluid dynamics (CFD) based simulations can therefore aid in the design and optimization of these reactors. This work presents multiphase Euler-Euler CFD simulations of commercial-scale (~ 500 m3) aerobic bioreactors. Our mathematical model treats the gas and liquid as interpenetrating phases. This approach reduces the computational complexity of tracking individual gas bubbles that are several orders of magnitude smaller than reactor dimensions. We solve the Reynolds averaged Navier-Stokes (RANS) multiphase equations that account for phase and chemical species transport, interphase mass and momentum transfer and uses a phenomenological model for oxygen uptake by microbes. We use a customized solver derived from open-source CFD toolbox, OpenFOAM, to perform these simulations, which has been validated against small-scale reactors in our previous work. This work examines the performance of three different reactor designs, viz. bubble column reactor, airlift reactor with an internal draft tube, and a stirred-tank reactor with Rushton impellers. Reactor oxygen mass-transfer coefficient, gas hold-up, and oxygen distribution are critically analyzed among reactors, and sensitivity studies pertaining to gas flow rates and reactor geometry will be presented.

09 BIOMASS FUELS↗

DOE OSTI2021

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗

DOE OSTI2023

Gas-Liquid Flow Modeling for Renewable Fuels Production

Aerobic/anaerobic and gas fermentation pathways have emerged as promising new technologies for the generation of renewable fuels/chemicals from biomass derived sugars, and mixtures of greenhouse/energy rich gas streams (CO2/CH4/H2/CO) via microbial action. Example pathways include sugars-to-ethanol conversion, biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Gas and liquid phase transport, mass-transfer, and mixing physics at large length scales can significantly affect microbial conversion rates, particularly when the microbial reaction requires a narrow set of conditions. These phenomena are difficult to study in small-scale bench-top reactors that are typically well-mixed. Predictive computational fluid dynamics (CFD) based simulations can therefore aid in the scale-up, design and optimization of these reactors. This work presents multiphase Euler-Euler CFD simulations of at-scale (~500 m3) bioreactors. Our mathematical model treats the gas and liquid as interpenetrating phases. This approach reduces the computational complexity of tracking individual gas bubbles that are several orders of magnitude smaller than reactor dimensions. We solve the Reynolds averaged Navier-Stokes (RANS) multiphase equations that account for phase and chemical species transport, interphase mass and momentum transfer and uses a phenomenological model for gas uptake by microbes. We use a customized solver derived from open-source CFD toolbox, OpenFOAM [1], to perform these simulations, which has been validated against small-scale reactors in our previous work [2]. There is currently a knowledge-gap regarding bubble-size distributions when using gas mixtures with vastly different properties, which can have a significant impact 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 population balance model (PBM) for bubble-size-distribution modeling that is validated against small-scale experiments in our solver with an uncertainty quantification study for bubble coalescence and break-up model parameters. 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 are analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors. This work will also examine the performance of different reactor designs, viz. bubble column reactor, airlift reactor with an internal draft tube, and a stirred-tank reactor with Rushton impellers. Reactor mass-transfer coefficient, gas hold-up, and dissolved gas distribution are critically analyzed among reactors, and sensitivity studies pertaining to gas flow rates and reactor geometry will be presented. [1] Weller, H., Tabor, G., Jasak, H. and Fureby, C., A tensorial approach to computational continuum mechanics using object-oriented techniques, Computers in physics, 12, 6, 620--631, 1998. [2] Rahimi, M., Sitaraman, H., Humbird, D. and Stickel, J., Computational fluid dynamics study of full-scale aerobic bioreactors: Evaluation of gas-liquid mass transfer, oxygen uptake, and dynamic oxygen distribution, Chemical Engineering Research and Design, 139: 283-295.

BIOMASS FUELS↗