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This paper describes the use of a Volume of Fluid (VOF) multiphase model to simulate the water injected from a rainbird nozzle used in the sound suppression system during launch. The simulations help determine the projectile motion for different water flow rates employed at the pad, as it is critical to know if water will splash on the first-stage rocket engine during liftoff.
Multiple fluids are likely to exist in fractures and flow paths associated with leaky wellbores, including liquids (e.g., crude oil) and gases (e.g., gas exsolved from liquid). These fluids occupy and move through different portions of the pore spaces within the fractures depending on many factors, including fluid properties, fracture size, and the amount of the different fluids. Upward leakage of any phase, through the fracture, can contaminate water-bearing formations, create hazardous surface conditions, and compromise the functionality of the wellbore. Early signs of wellbore leaks may be expressed by anomalous pressure behavior at surface monitoring points on cavern storage wells. These pressure anomalies are difficult to interpret, necessitating knowledge of the factors that affect the multiphase flow in fractures and porous media. These parameters are critical to modeling multiphase flow in fractures. This insight can guide further diagnosis and maximize leak remediation. Here, our study focuses on the relationship of the liquid–gas relative permeabilities for representative variable-aperture wellbore cement fracture. To obtain the relative permeability of each phase, two-phase flow tests were conducted where both fluids were flowing simultaneously through a fractured wellbore cement specimen under a range of factors, namely (1) aperture size, (2) capillary numbers, and (3) viscosity ratio. The flow experiments were conducted under a range of confining stresses and flow velocities, using nitrogen gas and silicone oils (of different viscosities) in a specially designed pressure vessel. The sum of gas and oil relative permeabilities were found to be less than one under all conditions, which indicates that the presence of one phase affects the permeability of the other phase, and vice versa. Since the gas phase flow conditions include a significant inertial flow component in addition to viscous flow, the inertial flow coefficients at different saturation states are presented. The factors affecting the relationship between the relative permeabilities are discussed in detail. A new mathematical model for estimating the relative permeability of wellbore cement fracture is presented and experimentally validated.
Understanding dynamic fragmentation in shock-loaded metals and predicting properties of the resulting ejecta are of considerable importance for both basic and applied science. The nature of material ejection has been shown to change drastically when the free surface melts on compression or release. In this work, we present hydrodynamic simulations of laser-driven microjetting from micron-scale grooves on a tin surface. We study microjet formation across a range of shock strengths from drives that leave the target solid after release to drives that induce shock melting in the target. The shock-state particle velocity (Up) varies from 0.3 to 3 km/s and the shock breakout pressure is 3–120 GPa. The microjet tip velocity is 1–8 km/s and the free-surface velocity varies from 0.1 to 5 km/s. Two tin equations of state are examined: a “soft” model (LEOS 501) where the target melts for U p > 1 km/s and a more detailed multiphase model (SESAME 2161) that melts for U p > 1.4 km/s. We use these two models to examine the influence of phase change and the choice of the material model on microjet formation and evolution. We observe in our computational results that jet formation can be classified into three regimes: a low-energy regime where material strength affects jet formation, a moderate-energy regime dominated by the changing phase of tin material, and a high-energy regime where results are insensitive to the material model and jet formation is described by an idealized steady-jet theory. Using an ensemble of 2D simulations, we show that these trends hold across a wide range of drive energies and groove angles.
Recent progress in modeling of transport phenomena during dendritic alloy solidification is reviewed. Starting from the basic theorems of volume averaging, a general multiphase modeling framework is outlined. This framework allows for the incorporation of a variety of microscale phenomena in the macroscopic transport equations. For the case of diffusion dominated solidification, a simplified set of model equations is examined in detail and validated through comparisons with numerous experimental data for both columnar and equiaxed dendritic growth. This provides a critical assessment of the various model assumptions. Models that include melt flow and solid phase transport are also discussed, although their validation is still at an early stage. Several numerical results are presented that illustrate some of the profound effects of convective transport on the final compositional and structural characteristics of a solidified part. Important issues that deserve continuing attention are identified.
Coupled thermal, hydraulic, and mechanical processes in porous materials play important roles in several energy and environmental technologies. The Darcy-Brinkman-Biot (DBB) framework has proven effective in modeling multiphase fluid flow in deformable porous solids across both pore and Darcy scales, including in systems where fractures coexist with a porous matrix. In this study, we extend the DBB framework, originally designed for isothermal conditions, to address non-isothermal problems by incorporating an energy conservation equation. The resulting solver, hybridBiotThermalInterFoam, enables simulations of coupled multiphase fluid flow, heat transfer, and solid deformation in hybrid-scale systems containing both solid-free regions and ductile porous domains. The new solver is validated through comparisons with analytical solutions and, also, against established heat transfer solvers chtMultiRegionFoam and compressibleInterFoam. Further, a series of 2D and 3D case studies, including two-phase heat transfer in solid-free, static, or deformable porous media, highlights the solver's capacity to simulate complex flow dynamics and heat transport in systems involving high mobility ratios, viscous fingering, and fracture propagation. Our results establish the feasibility of incorporating thermal effects in simulations of a wide variety of energy geotechnics and environmental applications, including enhanced hydrocarbon recovery, soil remediation, and enhanced geothermal energy systems.
The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.
Biomass burning is one of the most significant sources of organic aerosol in the atmosphere. Biomass burning organic aerosol (BBOA) has been observed to undergo liquid– liquid phase separation (LLPS) to give core–shell morphology with the hydrophobic phase encapsulating the hydrophilic phase, potentially impacting the evolution of light-absorbing components, i.e., brown carbon (BrC), through multiphase processes. Here, we demonstrate how multiphase processing differs between the watersoluble (i.e., hydrophilic) and insoluble (i.e., hydrophobic) phases of BBOA in terms of reactive uptake of ozone in a coated-wall flow tube. Effects of relative humidity (RH) and ultraviolet (UV) irradiation were investigated. Experimental timeseries were used to inform simulations using multilayer kinetic modeling. Among non-irradiated thin films, the uptake coefficient was greatest for the water-soluble phase at 75% RH (3 × 10 –5 , corresponding to a diffusion coefficient of BrC, D BrC , of 3 × 10 –9 cm 2 s –1 ) and least for the same phase at 0% RH (1 × 10 –5 , corresponding to D BrC of 1 × 10 –10 cm 2 s –1 ). The uptake coefficient for the water-insoluble phase fell between these two (about 1.5 × 10 –5 ), regardless of RH, and the corresponding D BrC increased only slightly (8 × 10 –10 cm 2 s –1 at 0% RH to 9 × 10 –10 cm 2 s –1 at 75% RH). The uptake coefficients of both phases at 0% RH decreased significantly after UV irradiation, consistent with a transition from viscous liquid to solid and supported by qualitative microscopy observations. Modeling multiphase ozone oxidation of primary BrC components in the atmosphere demonstrated, first, that LLPS may extend the lifetime of water-soluble BBOA encapsulated by water-insoluble species by a factor of 1.5 at moderate to high RH and, also, that UV irradiation may extend the lifetime of both phases by more than a factor of 2.5.
An atomization model based on Reitz's instability wave analysis has been implemented into the ARICC3D multiphase CFD combustion code. Preliminary test runs with cold non-evaporating liquid jet and coaxial gas-liquid atomization cases appeared to have verified basic performance of the model, generating realistic-looking sprays. Furthermore, the extended liquid jet is explicitly resolved, and predicted jet lengths agree well with classical correlations. Fair agreement with test data is obtained for predicted spray tip penetrations and liquid mass flux radial distributions, with obvious room for improvement. Some numerical problems also appear to have resulted with the current implementation when low gas Mach number and high liquid velocities are involved.
A two-phase CFD model for autogenous pressurization and draining of a cryogenic storage tank is presented using both the Sharp Interface and Volume-Of-Fluid (VOF) approaches for capturing the front and the associated interfacial heat, mass and momentum transfer between the liquid and vapor regions. Both models are validated against data provided by the Cryogenic Propellant Storage and Transfer (CPST) Engineering Development Unit (EDU) experiment. The results of the autogenous pressurization are presented first, focusing on the phase change and turbulence effects on the tank pressure and temperature predictions. Both the Sharp Interface (SI-CFD) and VOF (VOF-CFD) multiphase models predict tank pressure during pressurization within 3% of the measured values. The sensitivity of key physical and numerical parameters of the problem are tested using the Sharp Interface model. Effects of the accommodation coefficient (AC), and the computational grid structure are studied. The second part of this paper is devoted to validating the SI-VOF model, with an enhanced capability of moving the liquid-vapor interface, against the draining segment of the EDU experiment. The VOF-CFD model was also used to simulate tank draining and its results were compared with the results of the Sharp Interface model with the moving interface. Both models predict tank pressure during draining within 3.5% of the measured values. Pressure decrease rate is underpredicted by both models during the first 100 seconds of draining but matches the experimental rate for the rest of the simulation.
A two-phase CFD model for autogenous pressurization and draining of a cryogenic storage tank is presented using both the Sharp Interface and Volume-Of-Fluid (VOF) approaches for capturing the front and the associated interfacial heat, mass and momentum transfer between the liquid and vapor regions. Both models are validated against data provided by the Cryogenic Propellant Storage and Transfer (CPST) Engineering Development Unit (EDU) experiment1. The results of the autogenous pressurization are presented first, focusing on the phase change and turbulence effects on the tank pressure and temperature predictions. Both the Sharp Interface (SI-CFD) and VOF (VOF-CFD) multiphase models predict tank pressure during pressurization within 3% of the measured values. The sensitivity of key physical and numerical parameters of the problem are tested using the Sharp Interface model. Effects of the accommodation coefficient (AC), and the computational grid structure are studied. The second part of this paper is devoted to validating the SI-VOF model, with an enhanced capability of moving the liquid-vapor interface, against the draining segment of the EDU experiment. The VOF-CFD model was also used to simulate tank draining and its results were compared with the results of the Sharp Interface model with the moving interface. Both models predict tank pressure during draining within 3.5% of the measured values. Pressure decrease rate is underpredicted by both models during the first 100 seconds of draining but matches the experimental rate for the rest of the simulation.
As we enter the exascale computing regime, powerful supercomputers continue to produce much higher amounts of data than what can be stored for offline data processing. To utilize such high compute capabilities on these machines, much of the data processing needs to happen in situ, when the full high-resolution data is available at the supercomputer memory. In this article, we discuss our MFiX-Exa simulation, which models multiphase flow by tracking a very large number of particles through the simulation domain. In one of the use cases, the carbon particles interact with air to produce carbon dioxide bubbles from the reactor. These bubbles are of primary interest to the domain experts for these simulations. For this particle-based simulation, we propose a streaming technique that can be deployed in situ to efficiently identify the bubbles, track them over time, and use them to down-sample the data with minimal loss in these features.
Inertial effects during the process of supercritical CO 2 displacing brine in porous media may not be negligible according to recent studies. Capturing the inertial effects of the physical CO 2 -brine system imposes a requirement on the grid resolution and viscosity to surface tension ratio for pore-scale simulations, which some commonly used simulators may not be able to meet. To fulfill the parameter requirement, we combine the continuum-surface-force based color-gradient lattice Boltzmann (LB) multiphase model and the geometrical wetting model and extend the model to 3D under the multiple-relaxation-time framework. We validate the model via simple benchmarks which show significant improvement over the traditional models. Furthermore, we perform 3D drainage simulations in a heterogeneous micromodel where the simulation result agrees well with experimental data, while our previous work fails to reproduce certain displacement patterns in the experiment due to the use of a traditional LB model that cannot fulfill the parameter requirement. Finally, we perform high-fidelity 3D drainage simulations to study the inertial effects in a Bentheimer sandstone sample. These findings show that stronger inertial effects generally help develop more CO 2 flow pathways for the same capillary number which results in higher CO 2 saturation, consistent with the micromodel results. The phenomena can be found in both low and high capillary number cases, indicating that the inertial effects are not dependent on the mean velocity. In addition, the change of the invasion patterns is not proportional to the change of inertial effects, thus exhibiting threshold behavior.
Highlights: • A model for cyclic freezing of air-entrained concrete containing salt is proposed. • The freeze-thaw hysteresis, also including the effect of dissolved salt, is modeled. • The diffusive and convective flux of salt is coupled to the freeze-thaw processes. • The freeze-thaw response of air-entrained concrete containing salt is reproduced. • Liquid absorption from reservoirs increases with an increased concentration of salt. In cold regions, understanding the freeze-thaw behavior of air-entrained concrete is important for designing durable structures and assessing the remaining service life of existing structures. This study presents a hygro-thermo-mechanical multiphase model that describes the cyclic freeze-thaw behavior of partially saturated air-entrained concrete containing dissolved salt. An equilibrium and a non-equilibrium approach are adopted to model the ice formation, including the freeze-thaw hysteresis, inside the porous network. The model also considers the diffusive and convective transport of the dissolved salt coupled to the freeze-thaw processes. Two examples are presented to verify and highlight the capabilities of the model. The first example shows that the model is capable of reproducing the experimentally observed mechanical response of specimens containing NaC1-solutions of different concentrations. In the second example, a larger absorption of liquid from an external reservoir is obtained with an increasing salt concentration in the reservoir, which is consistent with experimental observations.
Computational Fluid Dynamics combined with a Discrete Element Method is one of the computational methods that can be used to model multiphase flows. In this method various phases, gas and liquid or solid, are present in the same computational domain. The local averaged Navier–Stokes equations determine the flow of the continuous phase fluid and are solved using the traditional CFD finite volume approach. DEM is based on a Lagrangian formulation, which solves the equations of motion, expressed in ordinary differential equations, for representative particles as they move in space and time. The interactions between the continuous fluid phase and discrete solid phase are modeled with the use of Newton’s laws of motion via drag force. The particles interact with each other and with the boundaries of the fluid continuum, and the resulting contact forces are included in the equations of motion. The properties of solid particles and boundaries are treated as elastic bodies, with specified density, elastic modulus, and Poisson’s ratio. Particle shapes may vary from single spherical particles to more complex-shaped composite particles. The particles may be introduced into the domain by random or structured injection at a point, surface, or volume, depending on the application. More details on the formulation can be found in the Simcenter STAR-CCM+ User’s Manual and OpenFOAM website.
Information on menisci dynamics and equilibrium contact angles, θ e , is needed for modeling multiphase flow of fluids in geologic formations. The wettability of fracture faces is relevant to applications such as waterflooding in enhanced oil recovery and evaluation of caprock integrity for geologic carbon sequestration. We investigated the vertical capillary rise of air-water menisci on exposed fracture faces for a sandstone, a shale, and three granites. The experimental design approximated that employed in the Wilhelmy plate method. Replicate fracture faces were prepared by fracturing cylindrical rock cores using the Brazilian method and splitting the fractured cores apart along their fracture planes. Meniscus onset was imaged from a cross-sectional perspective using dynamic neutron radiography, and quantified with change point analysis. An existing model for meniscus onset fitted the experimental data very well (median R 2 = 0.96). Capillary rise was typified by t 2/3 scaling (where t is time), followed by a constant equilibrium height, z e . The average time taken for the menisci to reach z e was 0.39 s, with no differences between rock types. The menisci achieved a greater vertical extent on the fracture faces of the sedimentary rocks as compared to those of the granites. Apparent θ e values were calculated from the best fit estimates of z e using the Wilhelmy plate equation for a smooth and planar vertical surface. Despite the fractal roughness of some of the fracture faces, there was a significant linear relationship (R 2 = 0.80) between the apparent θ e values and intrinsic θ e values measured on polished surfaces of the same rocks using the sessile drop method. The regression equation indicated the apparent θ e values were consistently greater than the intrinsic values. This overestimation may be due to averaging of pixels at the air-water-solid interface, a required step in the image analysis. Further exploration of the range of applicability and measurement accuracy of this proposed new technique would be valuable.
Measurements of gas–solid particle flow in a large-scale stripper unit are reported. The experiments target industrial (pilot) scale measurements of gas-particle flow that can be used to validate numerical methods for modeling multiphase flows, such as computational fluid dynamics coupled to the discrete element method (CFD-DEM). Specifically, experiments were performed with Geldart Group B (533 µm) glass beads in a stripper unit. In general, previous CFD-DEM validation datasets were performed in benchtop experimental systems and limited to O(10 5 ) particles. Here, in this work, the number of particles in the isolated section of the stripper is O(10 7 ) for all tests. Measurements are reported for a ~2 m tall section of the ~1 m diameter stripper. Radial mass flux profiles measured at five axial positions and three axial pressure drop measurements are reported for six operating conditions.
This study investigates the expansion dynamics of femtosecond laser-induced plasmas, emphasizing the impact of plasma thermophysical properties and ambient gas composition. Through shadowgraphy experiments and multiphase computational fluid dynamics (CFD) simulations, the influence of parameters such as heat capacity, molecular weight, and thermal conductivity on plume morphology, shockwave evolution, and energy dissipation mechanisms is examined. A mixture multiphase model is implemented to capture the interaction between the plasma and the surrounding gas. Simulation results reveal that plasma expansion is strongly inertia-driven. Results show that differences in plasma properties and ambient conditions affect the shape and temperature distribution of the expanding plume. The early-stage dynamics are primarily dictated by pressure forces, whereas thermal and viscous effects play a growing role in the plume's behavior during later stages of expansion. The CFD findings show the necessity of accurate initial condition characterization, including crater geometry and plasma pressure and temperature, for reliable modeling of plasma evolution in laser ablation processes.
Additively manufactured immiscible Cu–Fe alloys can exhibit a distribution of nanoscale interfaces due to the distribution of nanoscale clusters in the equilibrium and metastable phases. Molecular dynamics simulations investigate the role of such interfaces on the phase stability and transformation behavior during shock compression, as well as the mechanisms of damage nucleation during spall failure. The model multiphase Cu–Fe systems studied here comprise a distribution of Fe clusters in an FCC Cu matrix, as well as Cu clusters in a BCC Fe matrix. The length scales of the nanoscale clusters determine the energetics of the interfaces that can result in FCC/BCC (equilibrium) or FCC/FCC (metastable) interfaces in the Cu system matrix, and BCC/FCC (equilibrium) or BCC/BCC (metastable) interfaces in the Fe matrix. The MD simulations demonstrate that nanoscale metastable interface microstructures can induce plastic deformation and also stabilize phases or suppress phase transformations in metastable phase clusters. In contrast, equilibrium interfaces can influence phase transformation thresholds and serve as additional void nucleation sites during failure.