Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “multiphase flows”

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.

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

At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Modeling the Impact of Carbon Dioxide Leakage into an Unconfined, Oxidizing Carbonate Aquifer

Multiphase, reactive transport modeling was used to identify the mechanisms controlling trace metal release under elevated CO2 conditions from a well-characterized carbonate aquifer. Modeling was conducted for two experimental scenarios: batch experiments to simulate sudden, fast, and short-lived release of CO2 as would occur in the case of well failure during injection, and column experiments to simulate more gradual leaks such as those occurring along undetected faults, fractures, or well linings. Observed and predicted trace metal concentrations are compared to groundwater concentrations from this aquifer to determine the potential for leaking CO2 to adversely impact drinking water quality. Finally, a three-dimensional multiphase flow and reactive-transport simulation of CO2 leakage from an abandoned wellbore into a generalized model of the shallow, unconfined portion of the aquifer is used to determine potential impacts on groundwater quality. As a measure of adverse impacts on groundwater quality, both the EPA’s MCL limits and the maximum trace metal concentration observed in the aquifer were used as threshold values.

Aquifer↗
DOE OSTI2017

Fines migration during CO 2 injection: Experimental results interpreted using surface forces

The South West Hub project is one of the Australian Flagship Carbon Capture and Storage projects located in the south-west of Western Australia. To evaluate the injectivity potential during the forthcoming full-scale CO 2 injection, we conducted three core-flooding experiments using reservoir core plugs from the well Harvey-1. We aimed to investigate in this paper whether the injection of CO 2 leads to fines migration and permeability reduction due to the relatively high kaolinite content (up to 13%) in the injection interval of the target formation (i.e. the Wonnerup Member of the Lesueur Formation). We imaged the core samples before flooding to verify the presence of kaolinite at the pore-scale using scanning electron microscopy (SEM). We also examined the pore network of the core plugs before and after the core-flooding experiments using Nuclear Magnetic Resonance (NMR). Moreover, to gain a better understanding of any kaolinite fines migration, we delineated surface force using two models based on Derjaguin-Landau-Verwey-Overbeek (denoted by DLVO) theory coupled hydrodynamic force: (1) sphere/flat model representing interaction between kaolinite/quartz, and (2) flat/flat model representing interaction between kaolinite/kaolinite. Our core-flooding experimental results showed that CO 2 /brine injection triggered moderate to significant reduction in the permeability of the core samples with a negligible porosity change. NMR measurements supported the core-flooding results, suggesting that the relatively large pores disappeared in favour of a higher proportion of the medium to small pores after flooding. The DLVO calculations showed that some kaolinite particles probably lifted off and detached from neighbouring kaolinite particles rather than quartz grains. Moreover, the modelling results showed that the kaolinite fines migration would not occur under normal reservoir multiphase flow conditions. This is not because of the low hydrodynamic force. It is rather because the geometries of the particles dominate their interplay. Finally and overall, both of the experimental and analytical modelling results point to the fines migration to be the most likely cause of the permeability impairment observed during core-flooding experiments.

58 GEOSCIENCES↗
DOE OSTI2015

Lattice Boltzmann modeling of boiling heat transfer: The boiling curve and the effects of wettability

A hybrid thermal lattice Boltzmann (LB) model is presented to simulate thermal multiphase flows with phase change based on an improved pseudopotential LB approach (Li et al., 2013). The present model does not suffer from the spurious term caused by the forcing-term effect, which was encountered in some previous thermal LB models for liquid–vapor phase change. Using the model, the liquid–vapor boiling process is simulated. The boiling curve together with the three boiling stages (nucleate boiling, transition boiling, and film boiling) is numerically reproduced in the LB community for the first time. The numerical results show that the basic features and the fundamental characteristics of boiling heat transfer are well captured, such as the severe fluctuation of transient heat flux in the transition boiling and the feature that the maximum heat transfer coefficient lies at a lower wall superheat than that of the maximum heat flux. Moreover, the effects of the heating surface wettability on boiling heat transfer are investigated. It is found that an increase in contact angle promotes the onset of boiling but reduces the critical heat flux, and makes the boiling process enter into the film boiling regime at a lower wall superheat, which is consistent with the findings from experimental studies.

42 ENGINEERING↗
DOE OSTI2026

Reservoir-scale model of geologic hydrogen production from serpentinization: Cyclic injection in a dual-permeability fracture-matrix system

Geologic hydrogen (GeoH 2 ) from serpentinization is a promising low-carbon resource, but its reservoir-scale behavior remains poorly understood. We develop a dual-permeability reactive transport model for an injector–producer well pair in ultramafic rock that couples multiphase flow, heat transfer, geochemistry, and porosity–permeability evolution. Here, the model is calibrated to olivine flow-through experiments and upscaled to two-year long simulations with continuous injection and cyclic injection with shut-in-to-injection ratios (SIR = 1, 0.5, 0.1). Olivine reacts along high-flux pathways to form lizardite and magnetite, increasing pH; H 2 (aq) and H 2 (g) peak early and then decline as exsolution and advective export outpace local generation. Continuous injection yields the highest cumulative H 2 but the lowest water-use efficiency (1.138 x 10 –6 mol/kgw). Cyclic injection increases this ratio to 1.35 x 10 –6 , 1.377 x 10 –6 , and 1.182 x 10 –6 mol/kgw for SIR = 1, 0.5, and 0.1, respectively; SIR = 0.5 provides a ~20% improvement over continuous injection and the best compromise for pilot design.

08 HYDROGEN↗
DOE OSTI2022

Experimentally validated high-fidelity simulations of a liquid jet in supersonic crossflow

Here, utilizing recent advancements in computational schemes for compressible, multiphase flows, this work features a parametric study of a pure liquid jet in supersonic crossflow that involves simulating the atomization process for four values of momentum-flux ratio. These simulations are validated against experimental results measured with high-speed X-ray imaging, which confirm the accuracy of the numerical approach. Also, the effect of numerical resolution on some flow behavior is investigated, revealing convergence of the jet shape and surface instability wavelength. Analysis of the resulting sprays includes statistical descriptions of the liquid distribution, liquid structures created through breakup, interfacial instabilities, and dominant flow features. As the flowrate increases, the spray penetrates further, it becomes more disperse, and less liquid impacts the wall, but the droplet size distribution changes little. The wavelength of instabilities on the windward side of the jet diverges from measured trends in subsonic crossflows. In a visualization of the time-averaged flow, counter-rotating vortices are observed along the jet core and in the wake, affecting the process of primary atomization and early droplet trajectories.

42 ENGINEERING↗
DOE OSTI2023

A numerical study of an atomizing jet in a resonant acoustic field

By applying state-of-the-art, high-fidelity methods for compressible multiphase flows, this work features a parametric study of a turbulent liquid jet atomizing under the influence of standing acoustic waves with five different amplitude values. We perform these simulations in a semi-periodic domain to isolate interactions between acoustic and atomization processes and to emulate a pure liquid fuel spray placed at the pressure node of a resonant acoustic field. Characterization of the flow includes measurements of the mean dimensions, droplet number, and surface area of the liquid distribution, alongside qualitative depictions of the interface evolution, breakup events, and hydrodynamic fields. As acoustic forcing is provided to the flow, the added energy provokes atomization when shear would otherwise be insufficient for breakup. The magnitude of the forcing determines the rate of droplet production, which accelerates as the evolving liquid surface modifies the induced motion of the gas phase. At the nodal plane, the acoustic field produces an organizing effect on the liquid structures.

42 ENGINEERING↗
DOE OSTI2015

Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds

We report results from computational simulations of an experimental, lab-scale bubbling bed biomass pyrolysis reactor that include a distributed activation energy model (DAEM) for the kinetics. In this study, we utilized multiphase computational fluid dynamics (CFD) to account for the turbulent hydrodynamics, and this was combined with the DAEM kinetics in a multi-component, multi-step reaction network. Our results indicate that it is possible to numerically integrate the coupled CFD–DAEM system without significantly increasing computational overhead. It is also clear, however, that reactor operating conditions, reaction kinetics, and multiphase flow dynamics all have major impacts on the pyrolysis products exiting the reactor. We find that, with the same pre-exponential factors and mean activation energies, inclusion of distributed activation energies in the kinetics can shift the predicted average value of the exit vapor-phase tar flux and its statistical distribution, compared to single-valued activation-energy kinetics. Perhaps the most interesting observed trend is that increasing the diversity of the DAEM activation energies appears to increase the mean tar yield, all else being equal. As a result, these findings imply that accurate resolution of the reaction activation energy distributions will be important for optimizing biomass pyrolysis processes.

09 BIOMASS FUELS↗
DOE OSTI2026

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗
DOE OSTI2020

An experimental system and procedure of unsteady-state relative permeability test for gas hydrate-bearing sediments

Reliable estimations of the relative permeability of gas and water in hydrate-bearing sediments (HBS) and the dependency of the relative permeability on hydrate saturation are critical to predict the productivity of a hydrate reservoir. Yet, this remains poorly estimated owing to lack of experimental data associated with difficulties in conducting multiphase flow experiments in HBS. Recognizing the experimental challenges, this study intends to develop and validate a new experimental system and procedure of unsteady-state relative permeability test that can generate reliable and reproducible flow measurements in HBS. Furthermore, gas hydrate is considered as a part of solid matrix in the sediment, so one of the challenges is to maintain a constant hydrate saturation, which is achieved in this experimental study using tight pressure-temperature (P-T) control near the hydrate stability boundary. The measured differential pressure across the specimen, methane injection flow rate, and volume of displaced brine are used to calculate the relative permeability by adopting a conventional Buckley-Leverett theory-based interpretation method. Residual brine saturation calculated for the hydrate-bearing specimen is higher than that of hydrate-free specimen, presumably due to decrease in pore size, increase in heterogeneity of solid matrix, and increase in size distribution of solid matrix and pore in the presence of hydrates. Further studies are necessary to represent the results of the unsteady-state flow experiment in HBS with a gas hydrate-dependent relative permeability model.

03 NATURAL GAS↗
DOE OSTI2018

Anode-Design Strategies for Improved Performance of Polymer-Electrolyte Fuel Cells with Ultra-Thin Electrodes

Here, we report results of systematic, holistic, diagnostic, and cell studies to elucidate the mechanistic role of the experimentally determined influence of the anode gas-diffusion layer (GDL) on the performance of ultra-thin electrode polymer-electrolyte fuel cells, which can further enable fuel-cell market penetration. Measurements of product water balance and in situ neutron imaging of operational membrane-electrode-assembly water profiles demonstrate how improved performance is due to a novel anode GDL fiber-density modulated structure at the micrometer scale that removes water preferentially out of the anode, a key strategy to manage water in these cells. The banded structure results in low transport-resistance pathways, which affect water-droplet removal from the GDL surface. This interfacial effect is unexpectedly shown to be critical for decreasing overall water holdup throughout the cell. Finally, these studies demonstrate a new material paradigm for understanding and controlling fuel-cell water management and related high-power technologies or electrodes where multiphase flow occurs.

25 ENERGY STORAGE↗
DOE OSTI2017

CFD-DEM modeling the effect of column size and bed height on minimum fluidization velocity in micro fluidized beds with Geldart B particles

The fluidization behavior of Geldart B particles in micro fluidized beds is investigated numerically using Computational Fluid Dynamics coupled with Discrete Element Method (CFD-DEM) available in the open-source Multiphase Flow with Interphase eXchanges (MFIX) code. The effects of different bed inner diameters (D) of 8 mm, 12 mm, 16 mm and various initial static bed heights (H) were examined. It is found that both decreasing the column diameter and increasing the bed height in a micro fluidized bed increases the minimum fluidization velocity (Umf). The observed overshoot in pressure drop that occurs before the onset of fluidization decreases in magnitude with increasing column diameter, however there is less sensitivity to bed height. Overall, the numerical results agree qualitatively with existing theoretical correlations and experimental studies. The simulations show that both column diameter and particle-wall friction contribute to the variation in minimum fluidization velocity. Finally, these two factors are coupled and hard to separate. The detailed influences of wall friction on minimum fluidization velocity are then investigated for a prescribed column diameter of 8 mm by varying the wall friction from 0 to 0.4.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Particles climbing along a vertically vibrating tube: numerical simulation using the Discrete Element Method (DEM)

It has been reported experimentally that granular particles can climb along a vertically vibrating tube partially inserted inside a granular silo. Here, we use the Discrete Element Method (DEM) available in the Multiphase Flow with Interphase eXchanges (MFIX) code to investigate this phenomenon. By tracking the movement of individual particles, the climbing mechanism was illustrated and analyzed. The numerical results show that a sufficiently high vibration strength is needed to form a low solids volume fraction region inside the lower end of the vibrating tube, a dense region in the middle of the tube, and to bring the particles outside from the top layers down to fill in the void. The results also show that particle compaction in the middle section of the tube is the main cause of the climbing. Consequently, varying parameters which influence the compacted region, such as the restitution coefficient, change the climbing height.

42 ENGINEERING↗
DOE OSTI2021

SiOC coatings on yttria stabilized zirconia microspheres using a fluidized bed coating process

In this study, defect-free SiOC coatings were prepared on yttria stabilized zirconia (YSZ) microspheres by a fluidized bed coating process. Effects of the rheological properties of the coating solution on the coating process were elucidated. An impact regime diagram was constructed, which demonstrated that the coating mechanisms were collision/impact. During the fluidized bed coating, longer spouted time resulted in wider dispersion, longer residence time, and more circulatory motion of particles; the fluid distributed more uniformly throughout the column, as demonstrated in our Multiphase Flow with Interface eXchange (MFiX) simulations. Two-step pyrolysis in Ar achieved complete coating layers, which were comprised of SiOC, SiO 2 , SiC, and graphite. The two stage mass loss during the pyrolysis corresponded to simultaneous reactions due to depolymerization and hydrocarbon loss from 400 to 600°C. Carbon cluster size in the pyrolyzed samples was calculated to be 25 ± 2 Å. In conclusion, this work provides a new method for producing SiOC coatings on micron spheres, with nuclear TRISO fuel particles as the application.

42 ENGINEERING↗
DOE OSTI2022

Clustering of inertial particles in turbulent flow through a porous unit cell

We report direct numerical simulation is used to investigate effects of turbulent flow in the confined geometry of a face-centred cubic porous unit cell on the transport, clustering and deposition of fine particles at different Stokes numbers (St = 0.01, 0.1, 0.5, 1, 2) and at a pore Reynolds number of 500. Particles are advanced using one-way coupling and the collision of particles with pore walls is modelled as perfectly elastic with specular reflection. Tools for studying inertial particle dynamics and clustering developed for homogeneous flows are adapted to take into account the embedded, curved geometry of the pore walls. The pattern and dynamics of clustering are investigated using the volume change of Voronoi tesselation in time to analyse the divergence and convergence of the particles. Similar to the case of homogeneous, isotropic turbulence, the cluster formation is present at large volumes, while cluster destruction is prominent at small volumes and these effects are amplified with the Stokes number. However, unlike homogeneous, isotropic turbulence, the formation of a large number of very small volumes was observed at all Stokes numbers and attributed to the collision of particles with the pore wall. Multiscale wavelet analysis of the particle number density indicates that the peak of the energy density spectrum, representative of enhanced particle clustering, shifts towards larger scales with an increase in the Stokes number. Scale-dependent skewness and flatness quantify the intermittent void and cluster distribution, with cluster formation observed at small scales for all Stokes numbers, and void regions at large scales for large Stokes numbers.

42 ENGINEERING↗
DOE OSTI2025

Reactive Transport Modeling of Hydrogen Production from Serpentinization of Olivine

Hydrogen production from serpentinization of ultramafic rocks represents a promising natural pathway for generating carbon-free energy, yet its kinetics and controlling factors remain incompletely understood. A key challenge in advancing serpentinization research lies in the heterogeneity of porosity and permeability in rocks, which leads to nonuniform fluid velocity fields, as well as uncertainties in estimating reactive surface area and identifying appropriate mineral reaction equilibria. Additional complexities arise from the role of dissolved SiO 2 , Fe 2+ /Fe 3+ partitioning, and the limited effect of pH variations within the strongly alkaline regime on hydrogen yields. These challenges hinder straightforward extrapolation from laboratory tests to practical applications of hydrogen production from natural rocks. Here, in this work, we address these questions using a simulation-based reactive transport modeling framework calibrated against controlled laboratory experiments reported elsewhere. The model couples geochemical kinetics, multiphase flow, and mineralogical feedbacks, enabling systematic evaluation of how surface area, dissolved silica concentration, Fe redox state, temperature, and pressure govern serpentinization and H2 generation. We find that surface area exerts the strongest control on reaction rates and hydrogen yields, while Fe 2+ /Fe 3+ ratios act as secondary modulators. Elevated dissolved silica concentrations suppress hydrogen production but accelerate serpentine precipitation, whereas increasing pH beyond 12 within the strongly alkaline regime produces only marginal gains. Finally, we demonstrate that integrating targeted experiments with calibrated simulations offers a powerful and efficient approach for predicting hydrogen yields and assessing parameter trade-offs in industrial-scale applications. This integration can substantially reduce the experimental burden while improving predictive capability, thereby enhancing both the mechanistic understanding and the practical feasibility of hydrogen production from serpentinization.

08 HYDROGEN↗
DOE OSTI2021

Methane Hydrate Formation and Evolution During Sedimentation

We explored methane hydrate formation with sedimentation with a newly developed one-dimensional, multiphase flow, multicomponent transport numerical model. Our model couples methane hydrate formation from in situ microbial methane generation within the hydrate stability zone (HSZ), methane recycling, and microbial methane generation below the base of the hydrate stability zone (BHSZ). Both recycled methane and deeply generated methane are transported into the HSZ by buoyancy-driven free gas flow. Free gas flows through the HSZ by both the processes of capillary-dependent pore fillings and by salt exclusion during hydrate formation, with the former being the dominant mechanism. We quantitively illustrated the formation of enriched hydrate in muddy sediments above, and interconnected free gas below, the BHSZ, which are common features along the world's continental margin. In addition, we showed two ways to form concentrated methane hydrate above the BHSZ. The first mechanism is local free gas flow during methane recycling. This happens at sites with sufficient methane generation above the BHSZ. The second mechanism is deep microbial methane generation which is transported into the HSZ by free gas flow. This mechanism plays a more important role at sites with high sedimentation rates. This study provides new insights into methane hydrate formation and distribution below the seafloor. It is important for understanding the carbon cycle and carbon storage below the seafloor and for resource evaluation and exploitation.

58 GEOSCIENCES↗