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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Parameter estimation from spontaneous imbibition into volcanic tuff

Two-phase fluid flow properties underlie quantitative prediction of water and gas movement, but constraining these properties typically requires multiple time-consuming laboratory methods. The estimation of two-phase flow properties (van Genuchten parameters, porosity, and intrinsic permeability) is illustrated in cores of vitric nonwelded volcanic tuff using Bayesian parameter estimation that fits numerical models to observations from spontaneous imbibition experiments. The uniqueness and correlation of the estimated parameters is explored using different modeling assumptions and subsets of the observed data. The resulting estimation process is sensitive to both moisture retention and relative permeability functions, thereby offering a comprehensive method for constraining both functions. The data collected during this relatively simple laboratory experiment, used in conjunction with a numerical model and a global optimizer, result in a viable approach for augmenting more traditional capillary pressure data obtained from hanging water column, membrane plate extractor, or mercury intrusion methods. This method may be useful when imbibition rather than drainage parameters are sought, when larger samples (e.g., including heterogeneity or fractures) need to be tested that cannot be accommodated in more traditional methods, or when in educational laboratory settings.

58 GEOSCIENCES↗
DOE OSTI2021

Diffusion-to-Imbibition Transition in Water Sorption in Nanoporous Media: Theoretical Studies

The ability to predict multiphase fluid transport in nanoporous rocks such as shales is critical for many geoscience applications, for example unconventional hydrocarbon production, geologic carbon sequestration, and nuclear waste disposal. When the pore sizes approach nanoscales, the impact of the molecular interaction forces between fluids and solids becomes increasingly important. These forces can alter macroscopic fluid phase behavior and control transport. Recent experimental studies have shown that capillary condensation and subsequent imbibition of liquid water can occur in hydrophilic nanoporous media even if the vapor phase is at a critical relative humidity (rhcrit) well below vapor saturation. This study presents a theoretical investigation of the processes controlling adsorption, capillary condensation and imbibition in nanoporous media, using the square-gradient classical density functional theory. The proposed theoretical model explicitly includes the relevant interaction forces among fluids and solids in macroscopic porous media. Application of the model to a relative-humidity-controlled water adsorption experiment is presented to demonstrate the impact of water-pore wall attractive forces on multiphase water behavior in a hydrophilic silicon nanoporous medium. Here, the model represents well the measured time-dependent evolution of the water imbibition front inside the nanoporous medium and also explains the diffusion-like water transport regimes observed at rh < rh crit and the imbibition-like flow regimes observed at rh > rh crit . The study furthermore gives an insight on hysteresis phenomenon in adsorption and desorption isotherms.

58 GEOSCIENCES↗
DOE OSTI2021

Optimal surface-tension isotropy in the Rothman-Keller color-gradient lattice Boltzmann method for multiphase flow

The Rothman-Keller color-gradient (CG) lattice Boltzmann method is a popular method to simulate two-phase flow because of its ability to deal with fluids with large viscosity contrasts and a wide range of interfacial tensions. Here, two fluids are labeled red and blue, and the gradient in the color difference is used to compute the effect of interfacial tension. It is well known that finite-difference errors in the color-gradient calculation lead to anisotropy of interfacial tension and errors such as spurious currents. Here, we investigate the accuracy of the CG calculation for interfaces between fluids with several radii of curvature and find that the standard CG calculations lead to significant inaccuracy. Specifically, we observe significant anisotropy of the color gradient of order 7% for high curvature of an interface such as when a pinchout occurs. We derive a second order accurate color gradient and find that the diagonal nearest neighbors can be weighted differently than in the usual color-gradient calculation such that anisotropy is minimized to a fraction of a percent. The optimal weights that minimize anisotropy for the smallest radius of curvature interface are found to be w = (0.298, 0.284, 0.275) for diagonal nearest neighbors for the cases of the interface smoothing parameter β = (0.5, 0.7, 0.99), somewhat higher than the w = 0.25 value derived by Leclaire et al. [Leclaire, Reggio, and Trepanier, Computers and Fluids 48, 98 (2011)] based on obtaining isotropic errors to second order. We find that use of these optimal w values yields over a factor of 10 decrease in anisotropy and over a factor of 30 decrease in mean anisotropy relative to using the standard w = 1 value. And we find a factor of about 2 decrease in the anisotropic error and up to factor 15 decrease in mean anisotropic error relative to the choice of w = 0.25 for small radius of curvature interfaces. The improved CG calculations will allow the method to be more reliably applied to studies of phenomenology and pore scale processes such as viscous and capillary fingering, and droplet formation where surface-tension isotropy of narrow fingers and small droplets plays a crucial role in correctly capturing phenomenology. We present an example illustrating how different phenomena can be captured using the improved color-gradient method. Namely, we present simulations of a wetting fluid invading a fluid filled pipe where the viscosity ratio of fluids is unity in which droplets form at the transition to fingering using the improved CG calculations that are not captured using the standard CG calculations. We present an explanation of why this is so which relates to anisotropy of the surface tension, which inhibits the pinchouts needed to form droplets.

58 GEOSCIENCES↗
DOE OSTI2022

Droplet formation simulation using mixed finite elements

Droplet formation happens in finite time due to the surface tension force. The linear stability analysis is useful to estimate the size of a droplet but fails to approximate the shape of the droplet. This is due to a highly nonlinear flow description near the point where the first pinch-off happens. A one-dimensional axisymmetric mathematical model was first developed by Eggers and Dupont [“Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] using asymptotic analysis. This asymptotic approach to the Navier–Stokes equations leads to a universal scaling explaining the self-similar nature of the solution. Numerical models for the one-dimensional model were developed using the finite difference [Eggers and Dupont, “Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] and finite element method [Ambravaneswaran et al., “Drop formation from a capillary tube: Comparison of one-dimensional and two-dimensional analyses and occurrence of satellite drops,” Phys. Fluids 14, 2606–2621 (2002)]. The focus of this study is to provide a robust computational model for one-dimensional axisymmetric droplet formation using the Portable, Extensible Toolkit for Scientific Computation. The code is verified using the Method of Manufactured Solutions and validated using previous experimental studies done by Zhang and Basaran [“An experimental study of dynamics of drop formation,” Phys. Fluids 7, 1184–1203 (1995)]. The present model is used for simulating pendant drops of water, glycerol, and paraffin wax, with an aspiration of extending the application to simulate more complex pinch-off phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Sockeye Heat Pipe Analysis Code Verification and Validation

Some of the most promising microreactor designs currently under development utilize heat pipe technology to transfer heat from the reactor core to the secondary side heat exchanger, due to the technology’s compactness, efficiency, passivity, and reliability. Sockeye is an engineering-scale heat pipe tool developed under the Nuclear Energy Advanced Modeling and Simulation Program to be used for the design and safety analysis of microreactors. Sockeye’s core capability lies in a 1D, two-phase, compressible flow model, used to simulate the working fluid inside the heat pipe. Sockeye is built on the Multiphysics Object-Oriented Simulation Environment framework, which allows for seamless multiphysics coupling with other Nuclear Energy Advanced Modeling and Simulation tools and can thus be used in a full-scale simulation of a microreactor assembly, which can include hundreds of heat pipes. This paper presents some initial verification and validation assessments performed for Sockeye. We demonstrate good agreement between Sockeye’s numerical results and steady-state analytic solutions for velocity and pressure drop, with differences attributable to the underlying assumptions made by the analytic solutions. We also show that Sockeye reproduces analytic predictions of key operational limits, such as the capillary limit and the sonic limit. Finally, we compare Sockeye results to experimental data for the SAFE-30 heat pipe module test.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Represent precipitation-induced geological hazards in Earth system models using artificial intelligence

Precipitation-induced geological hazards, such as debris flow, landslides, mudflow and rockfalls (hereafter referred to as landslides), pose serious threats to public safety in many areas through the world. As residential properties and infrastructure in the US have increasingly expanded into landslide-prone areas and the drivers of landslides (e.g., wildfires and hurricanes) are predicted to intensify under climate warming, losses and fatalities from landslides are likely to increase in the future. Although our understanding of geoenvironmental factors and mechanisms contributing to landslides has greatly improved, only moderate progress has been made in predicting landslides out of well-studied watersheds. Furthermore, explicitly representing various landslide-related processes in Earth system models (ESMs), from the buckling of local bearing elements in granular materials, to frictional sliding between grains, formation of microcracks in the soil matrix, rupture of capillary bridges, or breakage of plant roots3 is still very unlikely within the next decade, even with the help of exascale computers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A theoretical study of the upper bound of surface elevation variance in the Phillips initial stage during wind-wave generation

The resonance mechanism in the initial of wind-wave generation proposed by Phillips is a foundation of wind-wave generation theory, but a precise theoretical quantification of wave energy growth in this initial stage has not been obtained yet after more than six decades of research. In this study, we aim to address this knowledge gap by developing an analytical approach based on a novel complex analysis method to theoretically investigate the temporal evolution of the wave energy in the Phillips initial stage. We quantitatively derive and analyse the growth behaviour of the surface wave energy and obtain an analytical solution for its upper bound. Our result highlights the crucial effects of surface tension. Because the phase velocity of gravity–capillary waves has a minimal value at a critical wavenumber, gravity–capillary waves and gravity waves (which neglect surface tension) exhibit distinct resonance curve properties and wave energy growth behaviours. For gravity waves, the resonance curve extends indefinitely; for gravity–capillary waves, it either forms a finite-length curve or does not exist, depending on the wind speed. The leading-order term of the upper-bound solution of the energy of gravity waves increases linearly over time, while for gravity–capillary waves, the term increases linearly over time under strong wind conditions but remains finite under weak wind conditions. This theoretical study provides an analytical framework for the generation of wind-waves in the Phillips initial stage, which may inspire further theoretical, numerical and experimental research.

58 GEOSCIENCES↗
DOE OSTI2021

Lattice Boltzmann Modeling of Drying of Porous Media Considering Contact Angle Hysteresis

Drying of porous media is governed by a combination of evaporation and movement of the liquid phase within the porous structure. Contact angle hysteresis induced by surface roughness is shown to influence multi-phase flows, such as contact line motion of droplet, phase distribution during drainage and coffee ring formed after droplet drying in constant contact radius mode. However, the influence of contact angle hysteresis on liquid drying in porous media is still an unanswered question. Lattice Boltzmann model (LBM) is an advanced numerical approach increasingly used to study phase change problems including drying. In this paper, based on a geometric formulation scheme to prescribe contact angle, we implement a contact angle hysteresis model within the framework of a two-phase pseudopotential LBM. The capability and accuracy of prescribing and automatically measuring contact angles over a large range are tested and validated by simulating droplets sitting on flat and curved surfaces. Afterward, the proposed contact angle hysteresis model is validated by modeling droplet drying on flat and curved surfaces. Then, drying of two connected capillary tubes is studied, considering the influence of different contact angle hysteresis ranges on drying dynamics. Finally, the model is applied to study drying of a dual-porosity porous medium, where phase distribution and drying rate are compared with and without contact angle hysteresis. The proposed model is shown to be capable of dealing with different contact angle hysteresis ranges accurately and of capturing the physical mechanisms during drying in different porous media including flat and curved geometries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Coupled confined phase behavior and transport of methane in slit nanopores

The proximity of the order of magnitude molecular mean free path and pore sizes in nanopores leads to remarkable interactions between molecules and walls. In such systems, the thermodynamic property and the transport behavior of fluids deviate from those at bulk conditions. Molecular dynamics (MD) simulation may be used to investigate the effects of confinement on fluid physics in nanosize pores. However, translating these subscale observations into a larger scale of interest remains a challenging task. In this work, we propose a modified extension of Peng-Robinson equation of state (PR-EOS) motivated and guided by MD simulation results. The shift of critical properties, i.e., pressure and temperature, are evaluated independently. A temperature dependent parameter is introduced to account for the existence of capillary pressure in the two-phase region. Here, this formulation is capable of capturing the shift in critical properties as well as density phase diagrams under various confinement scenarios. We incorporate the proposed EOS in the lattice Boltzmann method (LBM) to study coupled confined phase behavior and transport of methane in nano-size slit pores. Adsorptive strength is determined such that the resulting density ratio matches that from MD simulation. Results indicate that the use of the proposed EOS leads to smaller fluid velocities compared to PR-EOS. This effect is due to stronger interactions between fluid particles under confinement. Also, results show that transport characteristics are impacted by the pressure of the system: in systems with a relatively low pressure, transport seems to be dominated by Knudsen diffusion; however, at a higher pressure, the contribution from viscous flow increases as the pore widens while the influence of Knudsen and surface diffusion diminishes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental Measurements of Soot and Soot Precursors of Sustainable Aviation Fuels

Sustainable Aviation Fuels (SAFs) are promising for decarbonizing the challenging-to-electrify aerospace sector and reducing yearly greenhouse gas emissions by thousands of tons. Developing predictive detailed chemical kinetic models for SAF (and traditional) fuel mixtures necessitates a robust experimental database to elucidate the intricate pyrolysis and oxidation chemistry of SAF fuel blend components. Two critical components of SAF surrogate mixtures are iso-dodecane isomers and trans-decalin. This report characterizes the structure of three slightly sooting, laminar, non-premixed, nitrogen-diluted Planar Mixing Layer Flames (PMLFs) fueled by either pure ethylene, ethylene doped with 1500ppm of either 2,2,4,6,6-pentamethyl-heptane or trans-decalin. The flames have the same stoichiometric mixture fraction and total mole fraction of fuels in the fuel stream (X F,F = X C2H4,F + X Dopant,F = 0.26), resulting in approximately the same maximum temperature (T max ≈ 1800 K) to highlight the effect of doping on soot and its gaseous precursors. The PMLF is unconfined and established between adjacent planar jets of the fuel and oxidizer streams surrounded by annular shielding nitrogen. The flow is stabilized by exhausting the hot buoyant flame products through a slot in a downstream plate onto which the cold flow impinges. Importantly, any horizontal cross-section of the PMLF has a self-similar thermochemical structure of a reactive boundary layer that grows at increasing Height Above the Burner (HAB). Therefore, the horizontal cross-sections of a PMLF can be modeled as a One-Dimensional Counterflow Flame (1D-CF) with very low strain rates which are unachievable in traditional CFs and yield a structure that is several millimeters thick. In brief, the PMLF is ideal for performing spatially resolved measurements with minimal effects of the sampling-induced perturbations, to develop and validate detailed chemical kinetic models on time scales of a few tens of milliseconds that are relevant in aviation applications. The horizontal profiles of C0-C18 gaseous species at HAB = 50 mm and soot volume fraction at 25 and 50 mm are measured using capillary sampling followed by GC-MS analyses and Laser Induced Emission Spectroscopy (LIES), respectively. Additionally, the Elastic Laser Light Scattering (E-LLS) coefficient is measured at HAB = 50 mm and 25 mm to determine the strain rates of the 1D-CFs equivalent to the characterized PMLF horizontal cross sections and the profile of the E-LLS equivalent diameter of soot. The comparison of the results in the base PMLF fueled only by ethylene with those in either doped PMLF in which 1500 ppm of ethylene are replaced with 2,2,4,6,6-pentamethyl-heptane or trans-decalin, reveals that the doping increases the mole fraction of several Polycyclic Aromatic Hydrocarbons (PAHs) at both HABs by a factor of approximately 2.5, and the soot volume fraction at both HABs by factors of ~1.5 for 2,2,4,6,6-pentamethyl-heptane and ~1.25 for trans-decalin doping, respectively. Conversely, doping causes a near doubling of the soot equivalent diameter only at HAB = 50 mm, without significant effects at 25 mm. The experimental results partially validate the tested state-of-the-art detailed chemical kinetic model and also point toward the further improvement of its predictive capabilities.

10 SYNTHETIC FUELS↗
DOE OSTI2023

Simulations of Water Flow in Relation to a Steady Criticality in an Unsaturated Alluvial Repository

Oak Ridge National Laboratory (ORNL) is examining the conditions under which a criticality event could be ruled out for large packages placed in an unsaturated alluvial repository. This work specifically examines the water level in a stylized waste package that is assumed (1) to fail on the top, and (2) to empty as water is driven away—not by boiling—but by fluid flow phenomena driven by thermal gradients. This analysis uses the PFLOTRAN code package. Specifically, this year’s work includes examination of the heat rate at which water is driven away for various percolation rates using the same assumptions listed in the 2022 annual report. The STANDARDS (formerly UNF-ST&DARDS) package has predicted dual-purpose canister (DPC) neutron multiplication factors (k-effectives) ranging above 1.1 (unitless) with failed components. The DPC designs were not created with the intent to use for disposal purposes. Emplacing such packages may be worth consideration if it can be shown that criticality is either extremely unlikely or of very low consequence to the repository’s safety case. This work aims to help establish hydrologic boundary conditions for a highly hypothetical, highly stylized subsurface criticality event. The approach to critical is assumed to be slow, producing steady heating rates under a few kilowatts. For a DPC containing capillary media, the simulated power required for dry-out was proportional to the percolation rate but was unaffected by the size of a large breech on top of the DPC. Results for single cases with no capillary media in the DPC suggest that higher infiltration rates may be required in those cases to cause flooding. Bounding mechanisms and assumptions must be identified and characterized further by performing additional perturbations to various input parameters to demonstrate robustness of the results. This might be accomplished by examining responses to power pulses to determine the system transfer function required to enable a reduced order feedback model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Calculation of Friction Factors in Heat Pipes Using CFD in Support of the Sockeye Code

A heat pipe is two-phase heat transfer device which relies on surface tension and capillary pressure to provide a very efficient heat transfer mechanism. Currently, there is interest in designing micro nuclear power reactors using high temperature heat pipes to provide totally passive cooling. To support this, Sockeye is being developed as a heat pipe simulation capability. To support the development of Sockeye, individual phenomena must be tested. This work focuses on applying a CFD model to evaluate friction factors for use in Sockeye. A CFD model has been developed in Nek5000 which simulates each component fluid, i.e. sodium liquid and vapor, independently and captures the effects of the wick on friction factor. The model tests the effect of the wick permeability and the thickness of the wick occupied by each fluid component. The thickness of the wick occupied by each component can be directly related to the local vapor volume fraction from the Sockeye heat pipe model. Results from the CFD model indicate that friction factor in the liquid flow decreases with increasing wick permeability, while the friction factor in the vapor flow increases with increasing wick permeability. In the liquid, this is likely a direct result of the increased cross sectional area available for the flow. For the vapor, this is explained as the wick acting like a rough wall, while the increased area has only a negligible impact. Results for the tests of the thickness of the wick occupied by each fluid showed a thresholding behavior for both liquid and vapor. When the thickness of the wick occupied by each fluid was increased, it increased the effect of the wick, but only up to a certain point. Once a certain thickness was reached, the friction factors remained constant. When the fluid occupied only a very small fraction of the wick, friction factors returned to nominal values.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Leakage From Coexisting Geologic Forcing and Injection‐Induced Pressurization: A Semi‐Analytical Solution for Multilayered Aquifers With Multiple Wells

Abstract Abnormal fluid pressures (above or below hydrostatic pressure) can develop and persist in sedimentary basins. The common occurrence of abnormal pressures may cause challenges for project permitting of geological carbon sequestration (GCS), particularly in reservoirs with pre‐injection overpressure. The leaky wells that may exist in some sedimentary basins can provide flow paths between deep brine aquifers and shallower freshwater aquifers. Pre‐injection relative overpressures can cause brine leakage through leaky wells even before any injection occurs. The tendency for flow through leaky wells is coupled with the process of pressure dissipation that occurs through aquitards. Specifically, with non‐zero permeability, aquitards can dissipate pressure over large areal extents and thereby reduce leakage rates through leaky wells. This study presents development of a semi‐analytical solution for hydraulic head and brine leakage in multilayered aquifer–aquitard systems with geologic pressure forcing. The geologic forcing that causes abnormal pressures in the multilayered system can coexist with any number of injection, extraction, and leaky wells that also affect fluid pressure. The semi‐analytical model is applied to explore how leakage through leaky wells varies as functions of pressurization rate, along with aquitard and leaky well properties in an overpressured multilayered system. The results show that although injection‐induced pressures can dissipate rapidly through suitably permeable aquitards, coexisting geologic forcing may create sustained rates of brine leakage into freshwater aquifers through leaky wells. In GCS, a very low‐permeability aquitard with high capillary entry pressure to free‐phase CO 2 is desired to serve as the caprock to prevent leakage of CO 2 from the storage reservoir. Nevertheless, the results from this study show that the brine leakage impact to shallow freshwater aquifers through leaky wells might substantially decrease with increasing aquitard permeability values, as long as small aquitard permeability and high capillary entry pressure serve to prevent CO 2 leakage.

Cihan, A.↗
DOE OSTI2021

Geometrical-Based Generative Adversarial Network to Enhance Digital Rock Image Quality

X-ray microcomputed tomography (micro-CT) is a common tool for the study of porous media structures and properties. High-quality micro-CT data are required to accurately capture pore structures. Acquiring high-quality micro-CT data, however, is not always possible, owing to application limitations and experimental constraints. Therefore, we propose a geometrical-based generative adversarial network (GAN) to rapidly restore noisy micro-CT images to their clean counterparts. The training data and related ground-truth (GT) data are scanned for 7 min and 9.5 h, respectively. To evaluate the performance of the geometrical-based GAN, a 6003 voxel image that has never been used for training is reconstructed and compared with the corresponding GT image. Histogram matching and linear normalization are implemented to adjust the histogram of the reconstructed image to that of the GT image. A watershed-based segmentation method is then applied to delineate pore and solid phases. Lastly, we measure the Minkowski functionals and petrophysical properties, including absolute permeability, pore size distribution, drainage capillary pressure-saturation curve, and imbibition relative permeability, to estimate the physical accuracy of the denoised image. The results show that the proposed geometrical-based GAN can accurately restore noisy micro-CT data. By reducing the scanning time from 9.5 h to 7 min, the expenditure of collecting micro-CT can be decreased significantly. This is particularly important for applications where time-lapse images of a dynamic process are required, high-throughput imaging is necessary for real-time data analysis, or where the quantification of large sample volumes is required.

58 GEOSCIENCES↗
DOE OSTI2021

Experimental Investigation of a Novel Membrane-Based Condensing Heat Exchanger for High Efficiency Furnaces

Building space heating consumes approximately one-third of all global natural gas end use. Higher-efficiency (i.e., condensing) furnaces constitute only about 30% of the annual furnace shipments in the United States because the condensing heat exchangers must use highly expensive, corrosion-resistant materials to be protected from acidic components in the furnace flue gas stream. Increasing the market share of high-efficiency furnaces will reduce greenhouse gas emissions. This study developed and tested a benchtop prototype of a novel membrane-based heat exchanger (MHX) for high-efficiency furnaces to achieve nonacidic condensation via nanoporous membranes. Test results show that both sensible and latent heat were recovered by the MHX, and the fraction of latent heat recovery ranged from about 25% to 45% over the range of operating conditions evaluated. The amount of water condensed through the MHX increased with the increase of flue gas flow rate and decreased with increasing coolant temperature. The fraction of latent heat recovery decreased with the increase of flue gas flow rate and coolant temperature. The pH value of condensed water from the MHX was only mildly acidic, varying from 5.3 to 5.6 without any additional treatment, about 2.0 to 2.3 pH points higher (i.e., less acidic) than typical values for the condensate from conventional condensing furnaces. Therefore, feasibility of the MHX was experimentally verified, and the MHX could enable wider market penetration of highly energy-efficient condensing furnaces by reducing costs associated with managing the acid condensation compared with conventional condensing furnaces, possibly enabling the use of existing vent systems when replacing noncondensing furnaces (due to higher flue gas exit temperatures), and possibly reducing furnace first costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Numerical investigation and experimental validation of water condensation in the gas diffusion layer with different properties

Liquid water in porous media hinders the transport of reactant to catalyst layer, where the electrochemical reactions occur, which in turn, reduces performance and lifetime of a proton exchange membrane fuel cell (PEMFC). In this study, two types of gas diffusion layer (GDL) materials are used to study the two-phase saturation distribution in a PEMFC. The correlations between the effective and anisotropic transport properties and porosity of the two GDLs are solved by the pore scale model. In addition, the anisotropic liquid water permeability and the relationship between saturation pressure and capillary pressure is determined by using the Lattice-Boltzmann method. Fuel cell performance as well as liquid water distribution in the GDL using neutron radiography are obtained for validation. Under wet conditions, the cell with Freudenberg GDL performs better than that using Toray GDL, especially at high current densities. The results of the two-phase model simulation show that the peak water saturation for Toray GDL occurs in the catalyst layer and can reach 40%, while the peak water saturation for Freudenberg GDL occurs inside the GDL directly under the ribs and only reaches 25% saturation. The combined results provide key insights to enable high power density operation of a PEMFC through GDL material optimization.

42 ENGINEERING↗
DOE OSTI2021

Quantifying the anomalous water absorption behavior of cement mortar in view of its physical sensitivity to water

The one-dimensional water absorption into cement-based materials, possibly the simplest case of unsaturated water flow playing a fundamental role in predicting mass transport and durability, is still far from being completely understood due to several puzzling anomalies. Considering the water sensitivity of C-S-H gels (swell upon wetting and contract upon drying), a modified Richards equation (MRE) is proposed to quantify the anomalous water absorption into cement-based materials of changing porosity. Consistent experimental tests on a cement mortar and calculations indicate that the MRE with time-decaying water permeability can quantitatively capture the long-term absorption with two linear stages and a nonlinear transition stage between them. The water sensitivity is validated to be responsible for the anomalous deviation of water absorption from the classical square root of time law. It also partially contributes to the anomalous dependence of sorptivity on the temperature-dependent surface tension and viscosity of water and many organic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Non-dimensional performance and safety parameters for heat pipes

The use of heat pipes in safety-critical systems such as nuclear microreactors dictates the development of generalized, practical, scalable performance and safety parameters. Traditional dimensional metrics, while informative, lack the universality required for comparative analysis across varying designs and operating regimes. Here, this work introduces a comprehensive set of non-dimensional parameters to characterize heat pipe performance and safety, including capillary performance, effective thermal conductivity, response time, exergetic efficiency, allowable temperature gradients, allowable rate of temperature change, priming coefficients, and factor of safety. A reference heat pipe design representative of microreactor applications was analyzed via the developed parameters using both traditional analytical models and Sockeye simulations under transient and steady-state conditions. Sodium, potassium, and water were evaluated as working fluids to demonstrate the applicability of the framework across a broad temperature range. The proposed non-dimensional parameters effectively captured key thermal-hydraulic behaviors and safety concerns, as was demonstrated via Sockeye simulations. This framework supports the development of design optimization strategies, operational protocols, and safety assurance practices for advanced reactor systems and other high-reliability applications.

42 - ENGINEERING↗