Engineering topics

Ryan, Emily M.

Publications and source records attributed to Ryan, Emily M..

7 records

DOE OSTI2020

An Assessment of Homogeneous Mixture Method Cavitation Models in Predicting Cavitation in Nozzle Flow

The homogeneous mixture method (HMM) is a popular class of models used in the computational prediction of cavitation. Several cavitation models have been developed for use with HMM to govern the development and destruction of vapor in a fluid system. Two models credited to Kunz and Schnerr–Sauer are studied in this paper. The goal of this work is to provide an assessment of the two cavitation submodels in their ability to predict cavitation in nozzle flow. Validation data were obtained via experiments which employ both passive cavitation detection, (PCD) via acoustic sensing and optical cavitation detection (OCD) via camera imaging. The experiments provide quantitative information on cavitation inception and qualitative information on the vapor in the nozzle. The results show that initial vapor formation is not predicted precisely but within reason. A sensitivity analysis of the models to input parameters shows that the Schnerr–Sauer method does not depend upon the estimation of nuclei size and number density. Small changes in the vapor formation rate but not the total vapor volume can be seen when weighting parameters are modified. In contrast, changes to the input parameters for the Kunz model greatly change the final total vapor volume prediction. The assessment also highlights the influence of vapor convection within the method. Finally, the analysis shows that if the fluid and nozzle walls do not support nuclei larger than 40 μm, the methods would still predict cavitation when indeed there would be none in practice.

Engineering↗

DOE OSTI2020

Comparison of Surface Tension Generation Methods in Smoothed Particle Hydrodynamics for Dynamic Systems

Developing robust numerical models of dynamic surface tension dominated multiphase systems is an ongoing challenge, especially in scenarios with large density and viscosity ratios. This is critical to the design and understanding of various physical and engineering systems, such as fluidized beds, fuel injectors, and drug delivery schemes. Much of the computational work in surface tension dominated multiphase flows has employed the continuum surface force method (CSF) of Brackbill et al. [1], which recasts surface tension from a surface force to a volumetric force that can be imposed in the vicinity of an interface. The CSF method produces accurate results across a variety of systems, however it relies on the identication of surface normals, which can be unreliable under certain conditions. Alternative methods of simulating surface tension have been proposed. Here the advantages and disadvantages of the CSF method in comparison to a pairwise forces (PF) method proposed by Tartakovsky and Panchenko [2] are explored. The CSF and PF methods are used in a smoothed particle hydrodynamics (SPH) framework to model dynamic systems. Results are compared to existing test cases from the literature and to analytic solutions derived from fundamental normal mode behavior of bubbles and droplets. A physical system for which the PF method is more stable and physically appropriate than the CSF method is identied.

smoothed particle hydrodynamics, multiphase flow↗

DOE OSTI2016

Investigating the Effects of Anisotropic Mass Transport on Dendrite Growth in High Energy Density Lithium Batteries

Dendrite formation on the electrode surface of high energy density lithium (Li) batteries causes safety problems and limits their applications. Suppressing dendrite growth could significantly improve Li battery performance. Dendrite growth and morphology is a function of the mixing in the electrolyte near the anode interface. Most research into dendrites in batteries focuses on dendrite formation in isotropic electrolytes (i.e., electrolytes with isotropic diffusion coefficient). In this work, an anisotropic diffusion reaction model is developed to study the anisotropic mixing effect on dendrite growth in Li batteries. The model uses a Lagrangian particle-based method to model dendrite growth in an anisotropic electrolyte solution. The model is verified by comparing the numerical simulation results with analytical solutions, and its accuracy is shown to be better than previous particle-based anisotropic diffusion models. Several parametric studies of dendrite growth in an anisotropic electrolyte are performed and the results demonstrate the effects of anisotropic transport on dendrite growth and morphology, and show the possible advantages of anisotropic electrolytes for dendrite suppression.

SPH, high energy density lithium batteries, precip↗

DOE OSTI2014

Carbon Capture Simulation Initiative: A Case Study in Multi-Scale Modeling and New Challenges

Abstract: Advanced multi-scale modeling and simulation has the potential to dramatically reduce development time, resulting in considerable cost savings. The Carbon Capture Simulation Initiative is a partnership among national laboratories, industry and universities that is developing and deploying a suite of multi-scale modeling and simulation tools including basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, high-resolution filtered computational-fluid-dynamic (CFD) submodels, validated high-fidelity device-scale CFD models with quantified uncertainty, and a risk analysis framework. These tools and models enable basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to synthesize and optimize a process. The resulting process informs the development of process control systems and more detailed simulations of potential equipment to improve the design and reduce scale-up risk. Quantification and propagation of uncertainty across scales is an essential part of these tools and models.

42 ENGINEERING↗

DOE OSTI2013

Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capture reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.

Ryan, Emily M.↗

DOE OSTI2013

Computational Modeling of Transport Limitations in Li-Air Batteries

In this paper we investigate transport limitations in the electrodes of lithium-air batteries through computational modeling. We use meso-scale models to consider the effects of dendrites on the current and potential at the anode surface, and to investigate the effects of reaction and transport parameters on the formation of precipitates in the cathode. The formation of dendrites on the anode surface during cycling reduces the transport of ions and can lead to short circuits in the cell. Growth of precipitates in the cathode reduces the specific capacity of the cell due to surface passivation and pore clogging. Both of these degradation mechanisms depend on meso-scale phenomena, such as the pore-scale reactive transport in the cathode. To understand the effects of the meso-scale transport and precipitation on the performance and lifetime of Li-air batteries, meso-scale modeling is needed that is able to resolve the electrodes and their microstructures.

Li-Air Batteries, Smoothed Particle Hydrodynamics,↗

DOE OSTI2012

MULTI-PHASE CFD MODELING OF A SOLID SORBENT CARBON CAPTURE SYSTEM

Post-combustion solid sorbent carbon capture systems are being studied via computational modeling as part of the U.S. Department of Energy’s Carbon Capture Simulation Initiative (CCSI). The work focuses on computational modeling of device-scale multi-phase computational fluid dynamics (CFD) simulations for given carbon capture reactor configurations to predict flow properties, outlet compositions, temperature and pressure. The detailed outputs of the device-scale models provide valuable insight into the operation of new carbon capture devices and will help in the design and optimization of carbon capture systems. As a first step in this project we have focused on modeling a 1 kWe solid sorbent carbon capture system using the commercial CFD software ANSYS FLUENT®. Using the multi-phase models available in ANSYS FLUENT®, we are investigating the use of Eulerian-Eulerian and Eulerian-Lagrangian methods for modeling a fluidized bed carbon capture design. The applicability of the dense discrete phase method (DDPM) is being considered along with the more traditional Eulerian-Eulerian multi-phase model. In this paper we will discuss the design of the 1 kWe solid sorbent system and the setup of the DDPM and Eulerian-Eulerian models used to simulate the system. The results of the hydrodynamics in the system will be discussed and the predictions of the DDPM and Eulerian-Eulerian simulations will be compared. A discussion of the sensitivity of the model to boundary and initial conditions, computational meshing, granular pressure, and drag sub-models will also be presented.

Ryan, Emily M.↗