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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Modeling of the Synfuel Production Process: Process models of Fischer-Tropsch production with electricity and hydrogen provided by various scales of nuclear plants

Synthetic fuels (synfuels), also known as electro-fuels (E-fuels), are hydrocarbon fuels produced from waste CO2 streams and water electrolysis, with electricity as the primary source of energy. To achieve substantial reductions in greenhouse gas (GHG) emissions, electricity sources must release zero carbon or near-zero carbon, as is the case with solar, wind, hydro, and nuclear power. Nuclear power is one of the largest and steadiest domestic sources of clean energy in the United States. Moreover, nuclear power has the potential to produce hydrogen economically for less than $2/kg, reaching the DOE near-term target price. Thus, using nuclear power to produce synfuels has the unique potential to significantly reduce the GHG emissions of hydrocarbon fuels production and end-use applications. Fisher-Tropsch or FT fuel (a mixture of naphtha, jet fuel, and diesel) is of great interest because it is a drop-in fuel that can be blended with conventional petroleum counterparts and is compatible with existing infrastructure. By using the ASPEN Plus model, this report develops FT fuel production models on three scales, corresponding to nuclear plants with capacities of 1000 MWe, 437 Mwe, and 100 MWe, respectively. The FT model case with energy from a 437-MWe nuclear plant is used as a baseline case. This report summarizes the baseline ASPEN Plus model results with a detailed mass and energy analysis. Our modeled facility produces 507 MT/day (185,000 gal/day) of FT fuel by converting 255 MT/day of hydrogen and 1,580 MT/day of CO2. The FT fuel production energy efficiency from hydrogen and electricity energy inputs is 70% (lowerheating-value or LHV-based). Including the high-temperature electrolyzer in the system boundary, the FT fuel production LHV efficiency from electricity and thermal energy inputs is 51%, considering 39.8 kWh/kg of electricity and 6.86 kWh/kg of thermal energy use from a nuclear plant for hydrogen production. The FT production efficiency can potentially be increased by further integrating the heat exchange between nuclear plant and FT process, and this study is underway. The carbon conversion ratio in the baseline case is 99%, with process CO2 capture and recirculation and oxy-combustion using the oxygen by-product from water electrolysis. The hydrogen consumption is 1.38 kg/gal-FT fuel and the CO2 consumption is 8.56 kg/gal-FT fuel in the baseline case. With different FT production scales determined by the nuclear plant capacity, the FT model was scaled using the same operating parameters, which led to the same conversion efficiency regardless of scale. However, the different FT plant scales will impact the economics of FT fuel production; this impact will be examined in the next phase of this study.

Zang, Guiyan↗
DOE OSTI2021

Matrix-Based Process Modeling in Microsoft Excel

The purpose of this document is to describe the theory and methodology of matrix-based process modeling and demonstrate its use through a generic process model within Microsoft Excel. This type of model allows a modeler to quickly query various metrics, such as total production time, for a specified production run. These matrix models tend to be quick to build and use, but come with certain limitations and are more suited for smaller processes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Regional scale hydrology with a new land surface processes model

Through the CaPE Hydrometeorology Project, we have developed an understanding of some of the unique data quality issues involved in assimilating data of disparate types for regional-scale hydrologic modeling within a GIS framework. Among others, the issues addressed here include the development of adequate validation of the surface water budget, implementation of the STATSGO soil data set, and implementation of a remote sensing-derived landcover data set to account for surface heterogeneity. A model of land surface processes has been developed and used in studies of the sensitivity of surface fluxes and runoff to soil and landcover characterization. Results of these experiments have raised many questions about how to treat the scale-dependence of land surface-atmosphere interactions on spatial and temporal variability. In light of these questions, additional modifications are being considered for the Marshall Land Surface Processes Model. It is anticipated that these techniques can be tested and applied in conjunction with GCIP activities over regional scales.

Laymon, Charles↗
NASA NTRS1996

Computer-Aided Process Model For Carbon/Phenolic Materials

Computer program implements thermochemical model of processing of carbon-fiber/phenolic-matrix composite materials into molded parts of various sizes and shapes. Directed toward improving fabrication of rocket-engine-nozzle parts, also used to optimize fabrication of other structural components, and material-property parameters changed to apply to other materials. Reduces costs by reducing amount of laboratory trial and error needed to optimize curing processes and to predict properties of cured parts.

Letson, Mischell A.↗
DOE OSTI2022

Enabling energy‐efficient manufacturing of pharmaceutical solid oral dosage forms via integrated techno‐economic analysis and advanced process modeling

Abstract The global pharmaceutical industry is a trillion‐dollar market. However, the pharmaceutical sector often lags in manufacturing innovation and automation which limits its potential to maximize energy efficiency. The integration of techno‐economic analysis (TEA) with advanced process models as part of an overarching smart manufacturing platform, can help industries create business models, which can be adapted for manufacturing to reduce energy consumption and operating costs while ensuring product quality which can further enable a more sustainable process operation. In this study, a rational design of experiment on three unit‐operations (wet granulation, drying, and milling) was performed on a batch (case 1) and continuous (case 2) pharmaceutical process to obtain experimental data. Process models for predicting product quality and energy efficiency of each of the three‐unit operations were developed. The experimental data were used to validate the models and good agreement was observed. The energy consumption of each unit operation was calculated using statistical models relating the power consumption and the process parameters. The developed process models and energy models were further integrated into a TEA framework, which quantified the energy and monetary cost of manufacturing for both batch and continuous manufacturing cases. With this integrated framework, energy costs savings of ~33% was obtained in the continuous manufacturing process (case 2) over the batch process (case 1).

Sampat, Chaitanya↗
NASA NTRS2004

Preform Characterization in VARTM Process Model Development

Vacuum-Assisted Resin Transfer Molding (VARTM) is a Liquid Composite Molding (LCM) process where both resin injection and fiber compaction are achieved under pressures of 101.3 kPa or less. Originally developed over a decade ago for marine composite fabrication, VARTM is now considered a viable process for the fabrication of aerospace composites (1,2). In order to optimize and further improve the process, a finite element analysis (FEA) process model is being developed to include the coupled phenomenon of resin flow, preform compaction and resin cure. The model input parameters are obtained from resin and fiber-preform characterization tests. In this study, the compaction behavior and the Darcy permeability of a commercially available carbon fabric are characterized. The resulting empirical model equations are input to the 3- Dimensional Infiltration, version 5 (3DINFILv.5) process model to simulate infiltration of a composite panel.

Grimsley, Brian W.↗
NASA NTRSDate not supplied

Mapping Process Model Results to Fracture Model Initial Conditions for Adhesive Bonding

A systematic approach is proposed for mapping adhesive bonding process outcomes to initial conditions for progressive damage analysis (PDA). Herein, two mapping procedures are developed: 1) direct mapping for residual stresses, strains, and deformations obtained from a process model; and 2) functional mapping for quantities such as bondline thickness, degree of cure, and porosity that are assumed to have a functional relationship with fracture toughness but are not discretely modeled in the PDA. The spatial distribution of functionally mapped quantities may be determined by process modeling or inspection. The functional maps between the quantity of interest and fracture toughness may be obtained from independent lower-scale numerical simulations or empirical test campaigns. The proposed mapping procedure links the adhesive bonding process to the structural performance. Therefore, by accounting for the effects of bondline nonuniformities in structural analysis, analytical predictive accuracy can be improved, and off-nominal conditions can be evaluated. The mapping procedures are demonstrated and verified with example problems.

Andrew C Bergan↗
NASA NTRSDate not supplied

Mapping Process Model Results to Fracture Model Initial Conditions for Adhesive Bonding

A systematic approach is proposed for mapping adhesive bonding process outcomes to initial conditions for progressive damage analysis (PDA). Herein, two mapping procedures are developed: 1) direct mapping for residual stresses, strains, and deformations obtained from a process model; and 2) functional mapping for quantities such as bondline thickness, degree of cure, and porosity that are assumed to have a functional relationship with fracture toughness but are not discretely modeled in the PDA. The spatial distribution of functionally mapped quantities may be determined by process modeling or inspection. The functional maps between the quantity of interest and fracture toughness may be obtained from independent lower-scale numerical simulations or empirical test campaigns. The proposed mapping procedure links the adhesive bonding process to the structural performance. Therefore, by accounting for the effects of bondline nonuniformities in structural analysis, analytical predictive accuracy can be improved, and off-nominal conditions can be evaluated. The mapping procedures are demonstrated and verified with example problems.

Andrew Bergan↗
NASA NTRS2023

The Impact (Influence) of Stakeholder Participation in the Logic Modeling Process: A Case Study from NASA Goddard Space Flight Center

This is a three-paper dissertation that responds to a call for empirical research on stakeholder influence in the implementation of evaluation recommendations. The literature is consistent but mostly theoretical: stakeholder participation should positively influence and increase the probability of implementation (see e.g., Christie, 2011; Cousins and Earl, 1992); Fetterman, 2004). In response, I use two Goddard Space Flight Center engineering technical training and development programs to build a causal pathway argument supporting my proposition that stakeholder influence in the logic modeling process impacts organizational decision-making and change. I first introduce the logic modeling process as a tool to involve stakeholders in program and evaluation design (paper 1), then use the data collection process to implement the collaboratively constructed logic model outcomes (paper 2), and finally, I triangulate the data using the Toal (2009) Evaluation Involvement Scale (paper 3). I do this to “increase the validity of the findings” (Noble & Heale, 2019, p. 67) and to garner potential mechanisms. I found that stakeholder participation in the logic modeling process positively influenced the use of data to inform recommendations which in turn positively influenced implementation of evaluation recommendations. I identified the process itself as the mechanism and the key decision points as links or influencers. Potential factors included power and interest (measured by role) and time-on-job.

Organizational Decision-Making↗
NASA NTRS1993

Marked point process models of raindrop-size distributions

The principal process considered in this paper is the flux of raindrops through a volume of the atmosphere. This process is of fundamental importance for a wide variety of engineering and environmental problems, notably remote sensing of precipitation, infiltration of rainfall, soil erosion, atmospheric deposition of pollutants, and design of microwave communication systems. A marked point process model is developed in which the point process represents the arrival times of drops at the upper surface of a sample volume and the mark associated with a drop is its diameter. In the model, both the rate of occurrence of raindrops and the distribution of drop diameters vary randomly over time. Results that relate the drop-size distribution within the sample volume to the probability law of the drop-arrival process are presented. These results allow straightforward comparisons between temporal characterizations of drop-size distributions and spatial characterizations. Representations for derived processes such as rainfall rate and reflectivity are shown to be quite accurate using raindrop data from North Carolina.

Smith, James A.↗
NASA NTRS2007

A Decision Tool that Combines Discrete Event Software Process Models with System Dynamics Pieces for Software Development Cost Estimation and Analysis

The development process for a large software development project is very complex and dependent on many variables that are dynamic and interrelated. Factors such as size, productivity and defect injection rates will have substantial impact on the project in terms of cost and schedule. These factors can be affected by the intricacies of the process itself as well as human behavior because the process is very labor intensive. The complex nature of the development process can be investigated with software development process models that utilize discrete event simulation to analyze the effects of process changes. The organizational environment and its effects on the workforce can be analyzed with system dynamics that utilizes continuous simulation. Each has unique strengths and the benefits of both types can be exploited by combining a system dynamics model and a discrete event process model. This paper will demonstrate how the two types of models can be combined to investigate the impacts of human resource interactions on productivity and ultimately on cost and schedule.

Mizell, Carolyn Barrett↗
DOE OSTI2022

Process Interactions Can Change Process Ranking in a Coupled Complex System Under Process Model and Parametric Uncertainty

For a complex hydrologic system with multiple processes and process interactions, global sensitivity analysis is often used to identify important or influential parameters for model development and improvement. The identification is complicated by process model uncertainty, when a system process can be represented by multiple process models. This study develops a new total-effect process sensitivity index to identify influential processes under model uncertainty. This is done by extending Sobol's total-effect parameter sensitivity index for one system model to total-effect process sensitivity index for multiple system models to account for uncertainty in process models and model parameters. The total-effect process sensitivity index includes not only the first-order process sensitivity index for measuring the importance of individual processes but also higher-order indices that account for process interactions. The total-effect process sensitivity index can identify an influential process that itself and its interactions with other processes influence a model output. Here, the total-effect process sensitivity index is applied to two numerical examples: (a) Sobol's G*-functions with analytical solutions of first-order and total-effect process sensitivity indices, and (b) groundwater flow models with interactions between recharge, geology, and snowmelt processes. The second evaluation shows that, due to second-order and higher-order process interactions, the first-order and total-effect process sensitivity indices give different process ranking. It is thus necessary to estimate both first-order and total-effect process sensitivity indices to appreciate the difference between the first-order impact of a process alone and the overall total-effect impact of the process itself and its interactions with other processes on a model output.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 1: Process modeling and mass balance analysis

Process simulation has long been a well-established tool to track key operational, design, and mass and energy balance metrics for pre-commercial technologies such as advanced lignocellulosic biofuels. While tools such as this are well-documented in the public literature around 2nd-generation cellulosic ethanol technologies (which have been scaled up to commercial deployment to some degree over the past decade), such models and analysis information remain more sparse for more complex biorefinery pathways focused on producing drop-in hydrocarbon fuels and blend-stocks, particularly regarding information required to support air emissions or other environmental analysis. In this work, we summarize key details for an established "design case" modeling the conversion of herbaceous lignocellulosic biomass into a renewable diesel hydrocarbon blend-stock based on a representative lipid pathway from oleaginous yeast. The process is based on a biochemical deconstruction and upgrading approach utilizing deacetylation and dilute acid pretreatment, followed by enzymatic hydrolysis, fermentation, and catalytic upgrading of hydrolysate sugars to fuels. We provide key mass and energy balance outputs from the process models, with accompanying stream tables and component-level flowrates. A total of 12 model scenarios are presented spanning two feedstocks, three biorefinery scales, and two processing approaches for the lignin/residual solids waste streams. This "Part 1" manuscript presents the resulting impacts across the 12 cases on fuel yields and key output streams, focused here on direct biorefinery air emissions for selected components including CO 2 as well as sulfur (SOx) and nitrogen oxides (NOx). In the context of cleaner production, the latter focus on selected biorefinery air emission outputs establishes an initial baseline estimate and accompanying framework of the model cases, upon which an accompanying "Part 2" study will build to refine the values for these and other air pollutants across these scenarios, also considering mitigation options to comply with applicable regulatory standards. We also highlight further optimization opportunities based on potential tradeoffs identified here between air emissions versus life-cycle greenhouse gas profiles attributed to the disposition of lignin/residual solids.

09 BIOMASS FUELS↗
NASA NTRS1987

The effect of decay of the amplitude of oscillation on random process models for QPO X-ray stars

Random process models provide a useful mathematical framework for analysis of the quasi-periodic oscillations (QPO) recently discovered in the X-ray emission from certain luminous Galactic X-ray stars. In this paper, consideration is given to the effects of the power spectrum of the decay of the amplitude of oscillation that is expected in some physical models for the QPO phenomena. The resulting changes in the power spectrum depend on the ratio of the decay time of the amplitude of oscillation to the lifetime of the shot envelope. For values of this ratio less than about 10, it is found that incoherent QPO peaks in the power spectrum are significantly reduced in height and total power and are broadened in width, making them more difficult to detect. Coherent terms in the power spectrum, if present, are reduced in height and total power, but their width is unaffected. The red noise component remains unchanged. The present results are applied to the beat-frequency modulated accretion model in order to set constraints on the physical properties of the boundary layer between the inner edge of the accretion disk and the neutron star magnetosphere.

Shibazaki, N.↗