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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Study of Evaporation of Laser-Heated Iron–Carbon Nanoparticles Using Analysis of Thermal Radiation

Evaporation of iron nanoparticles in carbon shells under pulsed laser irradiation is analyzed. Iron–carbon nanoparticles are synthesized in a shock tube reactor with the aid of pyrolysis of the 0.25% Fe(CO){sub 5} + 0.25% C{sub 6}H{sub 6} mixture in argon. Laser radiation is used for additional heating to temperatures that exceed the evaporation threshold of the iron core of nanoparticles. Time profiles of the thermal radiation of laser-heated nanoparticles are measured. The two-color pyrometry is used to determine the evaporation temperature of nanoparticles, and the laser extinction makes it possible to monitor the loss of volume fraction of the condensed phase upon evaporation. Approximation of experimental signals of laser-heated nanoparticles using model curves is employed to determine effective enthalpy of evaporation of iron–carbon nanoparticles. It is shown that the iron core of nanoparticles is evaporated through the carbon shell and the energy spent by such a process is approximately twice greater than the evaporation enthalpy of bulk iron with free surface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

A User Guide to PARET/ANL (V.7.6) (Rev.1)

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA, and has been used by the Reactor Conversion Program to determine the expected transient behavior of a large number of reactors. PARET/ANL models the various fueled regions of a reactor core as channels. Each of these channels consists of a single flat fuel plate/pin (including cladding and, optionally, a gap) with water coolant on each side. In slab geometry the coolant channels for a given fuel plate are of identical dimensions (mirror symmetry), but they can be of different thickness in each channel. There can be many channels, but each channel is independent and coupled only through reactivity feedback effects to the whole core. The time-dependent differential equations that represent the system are replaced by an equivalent set of finite-difference equations in space and time, which are integrated numerically. PARET/ANL uses fundamentally the same numerical scheme as RELAP5 for the time-integration of the point-kinetics equations. The one-dimensional thermal-hydraulic model includes temperature-dependent thermal properties of the solid materials, such as heat capacity and thermal conductivity, as well as the transient heat production and heat transfer from the fuel meat to the coolant. Temperature- and pressure-dependent thermal properties of the coolant such as enthalpy, density, thermal conductivity, and viscosity are also used in determining parameters such as friction factors and heat transfer coefficients. The code first determines the steady-state solution for the initial state. Then the solution of the transient is obtained by integration in time and space. Multiple heat transfer, DNB and flow instability correlations are available. The code was originally developed to model reactors cooled by an open loop, which was adequate for rapid transients in pool-type cores. An external loop model appropriate for Miniature Neutron Source Reactors (MNSR’s) was also added to PARET/ANL to model natural circulation within the vessel, heat transfer from the vessel to pool and heat loss by evaporation from the pool. PARET/ANL also contains models for decay heat after shutdown, control rod reactivity versus time or position, time-dependent pump flow, and loss-of-flow event with flow reversal as well as logic for trips on period, power, and flow. Feedback reactivity effects from coolant density changes and temperature changes are represented by tables. Feedback reactivity from fuel heat-up (Doppler Effect) is represented by a four-term polynomial in powers of fuel temperature. Photo-neutrons produced in beryllium or in heavy water may be included in the point-kinetics equations by using additional delayed neutron groups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

A User Guide to PARET/ANL

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of a large number of reactors regardless of enrichment both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL Version 7.6. PARET/ANL models the various fueled regions of a reactor core as channels. Each of these channels consists of a single flat fuel plate/pin (including cladding and, optionally, a gap) with water coolant on each side. In slab geometry the coolant channels for a given fuel plate are of identical dimensions (mirror symmetry), but they can be of different thickness in each channel. There can be many channels, but each channel is independent and coupled only through reactivity feedback effects to the whole core. The time-dependent differential equations that represent the system are replaced by an equivalent set of finite-difference equations in space and time, which are integrated numerically. PARET/ANL uses fundamentally the same numerical scheme as RELAP5 for the time-integration of the point-kinetics equations. The one-dimensional thermal-hydraulic model includes temperature-dependent thermal properties of the solid materials, such as heat capacity and thermal conductivity, as well as the transient heat production and heat transfer from the fuel meat to the coolant. Temperature- and pressure-dependent thermal properties of the coolant such as enthalpy, density, thermal conductivity, and viscosity are also used in determining parameters such as friction factors and heat transfer coefficients. The code first determines the steady-state solution for the initial state. Then the solution of the transient is obtained by integration in time and space. Multiple heat transfer, DNB and flow instability correlations are available. The code was originally developed to model reactors cooled by an open loop, which was adequate for rapid transients in pool-type cores. An external loop model appropriate for Miniature Neutron Source Reactors (MNSR’s) was also added to PARET/ANL to model natural circulation within the vessel, heat transfer from the vessel to pool and heat loss by evaporation from the pool. PARET/ANL also contains models for decay heat after shutdown, control rod reactivity versus time or position, time-dependent pump flow, and loss-of-flow event with flow reversal as well as logic for trips on period, power, and flow. Feedback reactivity effects from coolant density changes and temperature changes are represented by tables. Feedback reactivity from fuel heat-up (Doppler Effect) is represented by a four-term polynomial in powers of fuel temperature. Photo-neutrons produced in beryllium or in heavy water may be included in the point-kinetics equations by using additional delayed neutron groups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

A User Guide to PARET/ANL

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of a large number of reactors regardless of enrichment both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL Version 7.6. PARET/ANL models the various fueled regions of a reactor core as channels. Each of these channels consists of a single flat fuel plate/pin (including cladding and, optionally, a gap) with water coolant on each side. In slab geometry the coolant channels for a given fuel plate are of identical dimensions (mirror symmetry), but they can be of different thickness in each channel. There can be many channels, but each channel is independent and coupled only through reactivity feedback effects to the whole core. The time-dependent differential equations that represent the system are replaced by an equivalent set of finite-difference equations in space and time, which are integrated numerically. PARET/ANL uses fundamentally the same numerical scheme as RELAP5 for the time-integration of the point-kinetics equations. The one-dimensional thermal-hydraulic model includes temperature-dependent thermal properties of the solid materials, such as heat capacity and thermal conductivity, as well as the transient heat production and heat transfer from the fuel meat to the coolant. Temperature- and pressure-dependent thermal properties of the coolant such as enthalpy, density, thermal conductivity, and viscosity are also used in determining parameters such as friction factors and heat transfer coefficients. The code first determines the steady-state solution for the initial state. Then the solution of the transient is obtained by integration in time and space. Multiple heat transfer, DNB and flow instability correlations are available. The code was originally developed to model reactors cooled by an open loop, which was adequate for rapid transients in pool-type cores. An external loop model appropriate for Miniature Neutron Source Reactors (MNSR’s) was also added to PARET/ANL to model natural circulation within the vessel, heat transfer from the vessel to pool and heat loss by evaporation from the pool. PARET/ANL also contains models for decay heat after shutdown, control rod reactivity versus time or position, time-dependent pump flow, and loss-of-flow event with flow reversal as well as logic for trips on period, power, and flow. Feedback reactivity effects from coolant density changes and temperature changes are represented by tables. Feedback reactivity from fuel heat-up (Doppler Effect) is represented by a four-term polynomial in powers of fuel temperature. Photo-neutrons produced in beryllium or in heavy water may be included in the point-kinetics equations by using additional delayed neutron groups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Theoretical description of fission yields: Toward a fast and efficient global model

A recently proposed approach to global modeling of fission fragment distributions is extended to account for odd-even staggering in charge yields and for neutron evaporation. We show that the proposed hybrid model can reproduce experimental mass and charge fragment yields, including the odd-even staggering for a wide range of fissioning nuclei. Experimental isotopic yields can be described within a simple neutron evaporation scheme. Here, we also explore fission fragment distributions of exotic neutron-rich and superheavy systems and compare our predictions with other state-of-the art global calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Comparative analysis of the sensitivity of nanometallic thin film thermometers

Thin film platinum resistive thermometers are conventionally applied for resistance thermometry techniques due to their stability and proven measurement accuracy. Depending upon the required thermometer thickness and temperature measurement, however, performance benefits can be realized through the application of alternative nanometallic thin films. Herein, a comparative experimental analysis is provided on the performance of nanometallic thin film thermometers most relevant to microelectronics and thermal sensing applications: Al, Au, Cu, and Pt. Sensitivity is assessed through the temperature coefficient of resistance, measured over a range of 10–300 K for thicknesses nominally spanning 25–200 nm. In this work, the interplay of electron scattering sources, which give rise to the temperature-dependent TCR properties for each metal, are analyzed in the framework of a Mayadas–Shatzkes based model. Despite the prevalence of evaporated Pt thin film thermometers, Au and Cu films fabricated in a similar manner may provide enhanced sensitivity depending upon thickness. These results may serve as a guide as the movement toward smaller measurement platforms necessitates the use of smaller, thinner metallic resistance thermometers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Loop Thermosyphon Enhanced Solar Collector

A two-phase loop thermosyphon solar collector was developed to transfer thermal energy efficiently and passively from a concentrated solar collector to a thermal desalination process. The two-phase flow in the loop thermosyphon is driven by a difference in gravitational pressure head between the liquid return line and the two-phase riser located between the evaporator and condenser. A numerical model incorporating mass, energy, and pressure drop balances was developed to predict system performance and use as a design tool. Three iterations of loop thermosyphon solar collectors were designed, fabricated, and tested to validate the numerical analysis and demonstrate system integration. Additionally, a novel solar receiver design was evaluated based on volumetric absorption of the concentrated sunlight by an optically absorptive two-phase working fluid. Life tests were performed to evaluate the working fluid thermal stability and resistance to ultraviolet degradation. A glass receiver tube and associated glass-to-metal junctions were developed. Finally, a full-scale loop thermosyphon was integrated with a parabolic trough solar collector and tested on-sun.

14 SOLAR ENERGY↗
DOE OSTI2020

A Model of Ice Wedge Polygon Drainage in Changing Arctic Terrain

As ice wedge degradation and the inundation of polygonal troughs become increasingly common processes across the Arctic, lateral export of water from polygonal soils may represent an important mechanism for the mobilization of dissolved organic carbon and other solutes. However, drainage from ice wedge polygons is poorly understood. We constructed a model which uses cross-sectional flow nets to define flow paths of meltwater through the active layer of an inundated low-centered polygon towards the trough. The model includes the effects of evaporation and simulates the depletion of ponded water in the polygon center during the thaw season. In most simulations, we discovered a strong hydrodynamic edge effect: only a small fraction of the polygon volume near the rim area is flushed by the drainage at relatively high velocities, suggesting that nearly all advective transport of solutes, heat, and soil particles is confined to this zone. Estimates of characteristic drainage times from the polygon center are consistent with published field observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Climate-extreme modeling framework for sustainable flood management in the Arabian Peninsula

Evaluating extreme precipitation events (EPEs) is essential for building climate-resilient water management strategies, but it remains a major challenge in ungauged basins. Using the 26,070 km 2 Wadi al-Rummah basin in central Saudi Arabia as a case study, we developed an alternative, reliable, cost-effective satellite-based framework that combines empirically derived EPE thresholds, imagery-calibrated 2D hydrodynamic modeling, GRACE water-storage diagnostics, and bias-corrected CMIP6 projections to assess flood hazards and recharge potential under current and future climate scenarios in ungauged basins. The integrated approach and the resulting findings followed four key steps: (1) Identified a 22.5 mm EPE threshold, the 80th percentile of 3-day GPM/IMERG rainfall (2000–2024), aligned with flood-triggering events (Nov 2018: 23–28 mm; Apr, 2023: 42 mm); (2) Developed and calibrated a RiverFlow2D model using Sentinel-2 and PlanetScope imagery for the November 2018 flood, accurately reproducing flood depth and extent (RMSE ≤0.31 m; fuzzy-Dice ≥0.91), and estimating runoff (41 %), infiltration (25 %), and evaporation (34 %); (3) Independently validated the model with the April 2023 event (RMSE ≤0.35 m; fuzzy-Dice ≥0.86); (4) Conducted climate projections (2025–2100) from five bias-corrected NEX-GDDP CMIP6 models that revealed a 34 % increase in EPE intensity under SSP2-4.5 and 48 % under SSP5-8.5 scenarios, relative to 20th-century baselines. Our findings indicate that while intensifying extremes in the 21st century increase flood risk, the results highlight the potential for episodic recharge if effective retention strategies are employed, and offer a transferable model for climate-informed planning in data-scarce arid regions.

CMIP6↗
DOE OSTI2022

Examining the peatland shrubification-evapotranspiration feedback following multi-decadal water table manipulation

Northern peatlands are globally important long-term sinks of carbon due to their predominantly saturated conditions. However, these ecosystems are expected to become drier with climate change, potentially leading to shrubification. As such, the response of the shrubification–evapotranspiration (ET) feedback may be of critical importance to future peatland energy, water and carbon dynamics. Here we examined the effect of multi-decadal peatland water table (WT) alteration at three adjacent sites with increasing depth to WT (WET, INTermediate, and DRY). In order to better understand the WT–shrubification–ET feedback, we measured peatland vegetation composition, microtopography and ET partitioning, where ET was measured at the ecosystem, microform, and leaf level using eddy covariance (EC), chambers and porometry, respectively. Averaged across microforms and WT treatments, there was a difference in the median measured leaf resistance (r leaf ) between plant functional types ranging from 213 s m -1 for erect dwarf shrubs, 325 s m -1 for graminoids/sedges, and 520 s m -1 for prostrate dwarf shrubs. Scaled based on LAI, the low r leaf of erect dwarf shrubs dominated hummocks, where sites with a higher proportion of hummocks had lower median canopy resistance (r v ) of 141, 133 and 130 s m -1 at the WET, INT and DRY sites respectively. Nevertheless, ET was highest at the WET site and similar between the INT and DRY sites, with greater evaporation from the moss surface at the WET site. Porometry and EC data along with a three-source model were used to independently assess the evaporative contribution from the moss surface, which ranged from 17% to 40%. For moderate and persistent changes in WT from land-use or climate change, our results suggest vegetation succession is minimal, but the microtopographic development and the concomitant differences in LAI for the various plant functional types is key to understanding changes in total ET and partitioning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Transitions of cloud-topped marine boundary layers characterized by AIRS, MODIS, and a large eddy simulation model

Cloud top entrainment instability (CTEI) is a hypothesized positive feedback between entrainment mixing and evaporative cooling near the cloud top. Previous theoretical and numerical modeling studies have shown that the persistence or breakup of marine boundary layer (MBL) clouds may be sensitive to the CTEI parameter. Collocated thermodynamic profile and cloud observations obtained from the Atmospheric Infrared Sounder (AIRS) and Moderate Resolution Imaging Spectroradiometer (MODIS) instruments are used to quantify the relationship between the CTEI parameter and the cloud-topped MBL transition from stratocumulus to trade cumulus in the northeastern Pacific Ocean. Results derived from AIRS and MODIS are compared with numerical results from the UCLA large eddy simulation (LES) model for both well-mixed and decoupled MBLs. The satellite and model results both demonstrate a clear correlation between the CTEI parameter and MBL cloud fraction. Despite fundamental differences between LES steady state results and the instantaneous snapshot type of observations from satellites, significant correlations for both the instantaneous pixel-scale observations and the long-term averaged spatial patterns between the CTEI parameter and MBL cloud fraction are found from the satellite observations and are consistent with LES results. This suggests the potential of using AIRS and MODIS to quantify global and temporal characteristics of the cloud-topped MBL transition.

Yue, Qing↗
DOE OSTI2020

Volatilization Behavior of Supported Au Nanoparticle Arrays under H 2 at High Temperature

In this work, the fabrication and experimental study of model Au nanoparticle arrays (nanodots) was used to allow a direct comparison of reactive evaporation at elevated temperatures and nonambient H 2 -containing gas atmospheres with theoretical models. Strong temperature and H 2 -concentration dependencies were confirmed as expected, and the observed dependence in particle diameter with time was effectively described using a reactive evaporation and gas phase diffusion based quantitative model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Simulation of Internal Combustion Engines with High-Performance Computing Tools

Traditional Lagrangian spray modeling approaches for internal combustion engines are highly griddependent due to insufficient resolution in the near nozzle region. This is primarily because of inherent restrictions of volume fraction with the Lagrangian assumption together with high computational costs associated with small grid sizes. A state-of-the-art grid-convergent spray modeling approach was developed and implemented by Senecal et al. (ASME-ICEF2012-92043) in the CONVERGE software. The key features of the methodology include Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, which enables use of cell sizes smaller than the nozzle diameter. This modeling approach was rigorously validated against nonevaporating, evaporating, and reacting data from the literature. The current numerical study focusses on further demonstration of the grid-convergent modeling approach for simulating a single-cylinder Cat® compression ignition engine. The simulated injector is characterized with a nominal nozzle exit diameter of 259 μm. Simulations using various minimum grid sizes (ranging from 125 μm to 1000 μm) are compared for engine performance and emissions parameters of interest such as pressure, heat release rate, ignition delay, NOx, HC, and soot emissions. The peak cell-count for the highest resolution simulation was on the order of 34 million. These computationally expensive simulations were facilitated at a high-performance computing facility at Argonne National Laboratory. METIS load-balancing algorithm was developed and implemented in Converge code for the simulations. Scaling studies were also performed. The validity of previously recommended grid settings (ASME-ICEF2012-92043) for accuracy/runtime trade-off is further assessed. Efficacy of a simplified combustion model is also compared against a detailed chemical kinetics based combustion model.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Investigating Evaporation in Gas Diffusion Layers for Fuel Cells with X-ray Computed Tomography

Understanding evaporation in porous media and the associated water distribution for a given saturation is critical for optimizing many different technologies including polymer-electrolyte fuel cells. In these devices, heat and mass-transport are coupled due to the two-phase transport of water and operating temperatures from subzero to 80°C. Especially critical is understanding phase change in the mixed wettability, carbon gas-diffusion layers (GDLs). While previous works have measured evaporation rates empirically for a given saturation, there remains a need to explore the mechanisms governing evaporation, which are tied directly to the internal water distribution. Here in this paper, liquid-water evaporation rates in GDLs are measured in situ using synchrotron X-ray computed tomography (CT). X-ray CT allows visualizing the evaporating water-front location and interfacial water/air surface area, thereby enabling true surface-area based evaporation rates. It is found that the overall specific evaporation rate is essentially constant as a function of saturation and that the water/air interfacial area scales almost linearly with saturation. To isolate transport and kinetic contributions to the overall evaporation rate, we systematically varied gas flow rate and composition. A three-dimensional mathematical model with direct meshes of liquid-water evaporation fronts from the X-ray CT studies allowed for the determination that the evaporation is transport limited. The overall results provide insight into evaporation phenomena in porous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

A one-dimensional transient model of a single-stage, downward-firing entrained-flow gasifier

The integrated gasification combined cycle (IGCC) technology has emerged as an attractive alternative to conventional coal-fired power plant technology due to its higher efficiency and cleaner environmental performance especially with the option of CO{sub 2} capture and sequestration. The core unit of this technology is the gasifier whose optimal performance must be understood for efficient operation of IGCC power plants. This need has led a number of researchers to develop gasifier models of varying complexities. Whereas high-fidelity CFD models can accurately predict most key aspects of gasifier performance, they are computationally expensive and typically take hours to days to execute on high-performance computers. Therefore, faster one-dimensional (1D) partial differential equation (PDE)-based models are required for use in dynamic simulation studies, control system analysis, and training applications. A number of 1D gasifier models can be found in the literature, but most are steady-state and have limited application in the practical operation of the gasifier. As a result, 1D PDE-based dynamic models are needed to further study and predict gasifier performance under a wide variety of process conditions and disturbances. In the present study, a 1D transient model of a single-stage downward flow GE/Texaco-type gasifier has been developed. The model comprises mass, momentum and energy balances for the gas and solid phases. The model considers the initial gasification processes of water evaporation and coal devolatilization. In addition, the key heterogeneous and homogeneous chemical reactions have been modeled. The resulting time-dependent PDE model is solved using the well-known method of lines approach in Aspen Custom Modeler®, whereby the PDEs are discretized in the spatial domain and the resulting differential algebraic equations (DAEs) are then solved to obtain the transient response. The transient response of various gasifier performance parameters to certain disturbances commonly encountered in the real world operation of commercial IGCC plants will be presented. These disturbances include ramp and step changes in input variables such as coal flow rate, oxygen-to-coal ratio and water-to-coal ratio, among others. Comparison of gasifier model predictions to available dynamic data will also be discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Dynamic modeling of a single-stage downward firing, entrained flow gasifier

The gasifier is the heart of the integrated gasification combined cycle (IGCC), a technology that has emerged as an attractive alternative to conventional coal-fired power plant technology due to its higher efficiency and cleaner environmental performance especially with the option of CO{sub 2} capture and sequestration. Understanding the optimal performance of the gasifier is therefore paramount for the efficient operation of IGCC power plants. Numerous gasifier models of varying complexity have been developed to study the various aspects of gasifier performance. These range from simple one-dimensional (1D) process-type models to rigorous higher order 2-3D models based on computational fluid dynamics (CFD). Whereas high-fidelity CFD models can accurately predict most key aspects of gasifier performance, they are computationally expensive and typically take hours to days to execute on high-performance computers. Therefore, faster 1D partial differential equation (PDE)-based models are required for use in dynamic simulation studies, control system analysis, and training applications. A number of 1D gasifier models can be found in the literature, but most are steady-state models that have limited application in the practical operation of the gasifier. As a result, 1D PDE-based dynamic models are needed to further study and predict gasifier performance under a wide variety of process conditions and disturbances. In the current study, a 1D transient model of a single-stage downward-fired GE/Texaco-type entrained-flow gasifier has been developed. The model comprises mass, momentum and energy balances for the gas and solid phases. The model considers the initial gasification processes of water evaporation and coal devolatilization. In addition, the key heterogeneous and homogeneous chemical reactions have been modeled. The resulting time-dependent PDE model is solved using the well-known method of lines approach in Aspen Custom Modeler®, whereby the PDEs in the spatial domain are discretized and the resulting differential algebraic equations (DAEs) are then integrated over time using a dynamic integrator. The dynamic response results of the gasifier performance parameters to certain disturbances commonly encountered during practical operation are presented. These disturbances include ramp and step changes to input variables such as coal flow rate, oxygen-to-coal ratio and water-to-coal ratio among others. Comparison of model predictions to available dynamic data will also be discussed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

Evaluation of Spent Nuclear Fuel Disposition in Salt (FY18)

This report summarizes the 2018 fiscal year (FY18) field, laboratory, and modeling work funded by the US Department of Energy Office of Nuclear Energy (DOE-NE) Spent Fuel and Waste Science & Technology (SFWST) campaign as part of the Sandia National Laboratories Salt Research and Development (R&D) and Salt International work packages. This report satisfies level-two milestone M2SF-18SNO10303031and comprises three related but stand-alone sections. The first section summarizes the programmatic progress made to date in the DOE-NE salt program and its goals going forward. The second section presents brine composition modeling and laboratory activities related to salt evaporation experiments, which will be used to interpret data collected during the heater test. The third section presents theoretical and numerical modeling work done to investigate the effects brine composition have on dihedral angle and the permeability of salt.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗