Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “study”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH3 SCR catalysts: An energetic and ab initio X-ray absorption modeling study

Copper-exchanged SSZ-13 (Cu-SSZ-13) provides excellent catalytic activity and hydrothermal stability in the selective catalytic reduction (SCR) of NOx by using NH3 as a reductant. In this contribution, we compare the most likely positions for Cu with a single charge compensating Al atom (ZCu), including the effect of the adsorption of reactants, intermediates and products of a NH3 SCR reaction by using first-principles calculations based on density functional theory. We find that the 6-membered ring (6MR) site is the most energetically favorable while the 8-membered ring (8MR) sites are less favorable with energy differences about 0.5 eV with respect to the 6MR site. Upon molecular adsorption, the energy differences between Cu in the 8MR and 6MR sites decreases and almost disappears, which means that the thermodynamic stability of ZCu with molecularly adsorbed species is nearly identical for Cu in different sites. Considering more complicated scenarios of NO (or CO) adsorption, we find that the co-adsorption of 2 NO (or 2 CO) molecules weakens their interaction with Cu, as well as their co-adsorption with OH and H2O. The X-ray absorption near edge structure (XANES) of Cu in Cu-SSZ-13 under different conditions was also modeled from first principles. We find that the pre-edge feature in the K-edge XANES of Cu in clean Cu-SSZ-13 with Cu in a 8MR site is induced by a 1s to 4s transition while there is no pre-edge peak when Cu is in a 6MR site. Molecular adsorption onto Cu in a 6MR or a 8MR site results in the same K-edge XANES. When NO is adsorbed onto Cu in SSZ-13, we find that the origin of the small pre-edge peak in the K-edge XANES lies in a 1s to 3d electron transition. On the other hand, when CO or N2 is adsorbed onto an isolated Cu atom in SSZ-13, a transition from the 1s state to the hybridized state of 3d and 4p results in a pre-edge peak in the K-edge of the XANES spectrum. It is also found that the edge position and intensity of the maximum peak of Cu K-edge XANES depend on the Cu locations and the adsorbed molecules. By studying the Cu K-edge XANES of ZCu with adsorption of species of different oxidizing power, we conclude that a higher oxidation state of Cu will result in a higher energy edge position in the Cu K-edge XANES. These results are expected to greatly aid our understanding of Cu-SSZ-13 SCR catalysts. This work was supported by institutional funds provided to JSM from the Voiland School of Chemical Engineering and Bioengineering. Financial support was also provided by the National Science Foundation GOALI program under contract Nos. CBET-1258717, CBET-1258715 and CBET-1258690. We thank Prof. Fabio Ribeiro, Mr. Atish Parekh, Prof. W. F. Schneider, Mr. Christopher Paolucci, Mr. Trunjoyo Anggara and Prof. Jeff Miller for stimulating discussions on the modeling of the XANES spectrum and Ms. Alyssa Hensley for her comments on the manuscript. J.Sz. acknowledges the financial support of this work by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. A portion of the computer time for the computational work was performed using EMSL, a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research and located at PNNL. PNNL is a multi-program national laboratory operated for the US DOE by Battelle.

Zhang, Renqin↗
NASA NTRS1975

STS users study (study 2.2). Volume 3: Ancillary equipment study

The multi-mission support equipment (MMSE) applicable to six payloads is studied. Tables indicate individual satellite projects to which each MMSE is applicable, and which equipments are applicable to multiple payload configurations when more than one project's payload would be flown on the STS. An estimate of the first date on which interface definition information needed by a payload project are also shown.

Pritchard, E. I.↗
NASA NTRS2015

NASA Earth Science Mission Control Center Enterprise Emerging Technology Study Study (MCC Technology Study)

This paper reports on the results of the study to identify technologies that could have a significant impact on Earth Science mission operations when looking out at the 5-15 year horizon (through 2025). The potential benefits of the new technologies will be discussed, as well as recommendations for early research and development, prototyping, or analysis for these technologies.

Smith, Dan↗
DOE OSTI2021

Modelica-based system modeling for studying control-related faults in chiller plants and boiler plants serving large office buildings

System modeling is critical when studying operation faults in chiller plants and boiler plants. However, current fault models have difficulties faithfully representing the operation of chiller plants and boiler plants under the effects of those faults, especially the control-related ones. In this study, we present a systematic method to develop high-fidelity models for approximating the behaviors of chiller plants and boiler plants under faulty conditions. Compared to existing ones, the resulting fault models have two advantages: first, they better characterize the dynamic patterns in the system operation. In those models, control architecture and control logic are faithfully implemented. Thus, they can be used to study control-related faults, such as incorrect staging control due to sensor bias and mistuned feedback control. Second, they are readily extensible and can support large-scale investigations to explore different faulty conditions/scenarios. Those models are established in a hierarchical structure while modules in each layer can be redeclared and parameterized at upper layers. In such a case, modifications to the models can be realized through model modifiers and the process can be easily streamlined with scripts. We applied the proposed models in a comprehensive fault impact evaluation of the 13 control-related faults of chiller and boiler plants. In this evaluation, the proposed plant model is coupled with the EnergyPlus thermal load model to study the impact of various faulty scenarios. Based on the evaluation results, we identified the faults that have the most significant impacts on the operation of the chiller and boiler plants, respectively. We also found that the relationship between the impacts of the studied faults and the severity level of the faults are highly non-linear

Huang, Sen↗
DOE OSTI2021

Impact of Rheology Models on Horizontal Well Polymer Flooding in a Heavy Oil Reservoir on Alaska North Slope: A Simulation Study

Polymer rheology can have either a positive or a negative effect on polymer flooding performance under varied circumstances. Many researchers have studied the effect of polymer rheology in a vertical well, but no field scale studies have been conducted to investigate whether polymer rheology is beneficial to polymer flooding in heavy oil reservoirs developed by horizontal wells. In this paper, we conducted a numerical simulation study to examine the effect of HPAM polymer rheology on a polymer flooding pilot, which is the first-ever project conducted on a heavy oil reservoir from Alaska North Slope (ANS) developed by horizontal wells. Three rheology types were considered in the study including the apparent viscosity measured during coreflooding of using a HPAM polymer, the bulk viscosity measured with a viscometer, and a Newtonian flow model. The results suggest that using the bulk viscosity in simulation underestimates the conformance control and the water-oil-ratio reduction capability of the HPAM polymer solution. When the apparent viscosity is used, the incremental oil and sweep were largely increased, and the optimal recovery period of polymer flooding was extended greatly, especially for the heterogeneous formations. Therefore, the rheology type of polymer plays a significant role in the incremental oil recovery and injection profile of the horizontal well system given the pilot test conditions. This study has provided practical guidance to field operators for the ongoing polymer flooding pilot on ANS and will also provide valuable information for other polymer projects conducted in similar conditions.

Leng, Jianqiao↗
NASA NTRS1988

Exploration Studies Technical Report - Volume 2: Studies Approach and Results

The NASA Office of Exploration has been tasked with defining and recommending alternatives for an early 1990's national decision on a focused program of human exploration of the solar system. The Mission Analysis and System Engineering (MASE) group, which is managed by the Exploration Studies Office at the Johnson Space Center, is responsible for coordinating the technical studies necessary for accomplishing such a task. This technical report describes the process that has been developed in a case study approach. The four case studies that were developed in FY88 include: 1. Human expedition to Phobos 2. Human expeditions to Mars 3. Lunar observatory 4. Lunar outpost to early Mars evolution The final outcome of this effort is a set of programmatic and technical conclusions and recommendations for the following year's work. Volume 2 describes the case study process, the technical results of each of the case studies, and opportunities for additional study. Included in the discussion of each case study is a description of the mission key features and profile. Mission definition and manifesting are detailed, followed by a description of the mission architecture and infrastructure. Systems concepts for the required orbital nodes, transportation systems, and planetary surface systems are discussed. Prerequisite implementation plans resulting from the synthesized case studies are described and in-depth assessments are presented.

Interplanetary flight↗
DOE OSTI2014

Ultrasonic Nakagami-parameter characterization of parotid-gland injury following head-and-neck radiotherapy: A feasibility study of late toxicity

Purpose: The study aims to investigate whether Nakagami parameters—estimated from the statistical distribution of the backscattered ultrasound radio-frequency (RF) signals—could provide a means for quantitative characterization of parotid-gland injury resulting from head-and-neck radiotherapy. Methods: A preliminary clinical study was conducted with 12 postradiotherapy patients and 12 healthy volunteers. Each participant underwent one ultrasound study in which ultrasound scans were performed in the longitudinal, i.e., vertical orientation on the bilateral parotids. For the 12 patients, the mean radiation dose to the parotid glands was 37.7 ± 9.5 Gy, and the mean follow-up time was 16.3 ± 4.8 months. All enrolled patients experienced grade 1 or 2 late salivary-gland toxicity (RTOG/EORTC morbidity scale). The normal parotid glands served as the control group. The Nakagami-scaling and Nakagami-shape parameters were computed from the RF data to quantify radiation-induced parotid-gland changes. Results: Significant differences in Nakagami parameters were observed between the normal and postradiotherapy parotid glands. Compared with the control group, the Nakagami-scaling parameter of the postradiotherapy group decreased by 25.8% (p < 0.001), and the Nakagami-shape parameter decreased by 31.3% (p < 0.001). The area under the receiver operating characteristic curve was 0.85 for the Nakagami-scaling parameter and was 0.95 for the Nakagami-shape parameter, which further demonstrated the diagnostic efficiency of the Nakagami parameters. Conclusions: Nakagami parameters could be used to quantitatively measure parotid-gland injury following head-and-neck radiotherapy. Moreover, the clinical feasibility was demonstrated and this study provides meaningful preliminary data for future clinical investigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Atom probe tomography analysis of the reference Zircon GJ-1: An interlaboratory study

In recent years, atom probe tomography (APT) has been increasingly used to study minerals, and in particular the mineral zircon. Zircon (ZrSiO 4 ) is ideally suited for geochronology by utilising the U-Th-Pb isotope systems, and trace element compositions are also widely used to constrain petrogenetic processes. However, while standard geoanalytical techniques provide information at micron scale lengths, the unique combination of chemical/isotopic sensitivity and spatial resolution of APT allows compositional and textural measurements at the nanoscale. This round robin study aims to define the reproducibility of APT data across research facilities and assess the role of different aspects of the atom probe workflow on reproducibility. This is essential to allow correct evaluation of APT results and full utilization of this emerging technique within the geoscience community. In this study, nine samples from the same homogemeous, GJ-1/87 zircon reference grain were sent to nine APT institutes in Europe, USA, Canada and Australia. Each institute conducted three different rounds of APT analyses: using (i) unconstrained analysis parameters, [1] pre-defined analysis parameters, and (iii) a data analysis exercise. Data such as the measured composition, acquisition parameters, or mass spectrum peak identifications, were recorded and analyzed. We observe a significant variation in the measured composition across this round robin study as well as the number of trace elements identified. These differences are thought to directly result from the user's choice of peak identification, ranging and background correction model. The type of instrument does not seem to be a critical factor. Consequently, comparison of absolute trace element data on zircon using APT between laboratories is only valid if the same workflow has been ensured.

round robin, atom probe tomography, reference zirc↗
DOE OSTI2024

An experimental and chemical kinetic modeling study of 4-butoxyheptane combustion

Here, the combustion kinetics of a novel oxygenated bioblendstock for diesel, 4-butoxyheptane (4-BH), was investigated experimentally using a flow reactor and a heated, high-pressure shock tube. The flow reactor experiments employed oxygen as the oxidizer and helium as the diluent with oxidation conducted at atmospheric pressure and 10 bar for temperatures from 400 to 1000 K at 20-K intervals. The fuel, oxidizer, and diluent flow rates were varied at different temperatures to maintain a constant initial fuel mole fraction of 1000 ppm, with stoichiometric equivalence ratio, and a residence time of 2.0 s. The reacted gas was fed to two separate GC systems that could qualitatively and quantitatively detect product species. Additionally, real fuel-air ignition delay time (IDT) data were collected using a heated, high-pressure shock-tube facility. Fuel lean (φ = 0.5) and stoichiometric (φ = 1.0) mixtures were investigated at 10 atm as well as at 30 atm for the fuel lean case for temperatures between 847 and 1259 K. A detailed chemical kinetics mechanism was developed to model the product distribution from the flow reactor and IDTs from the shock tube. The proposed model was able to predict the double NTC behavior in flow reactor experiments reasonably well. Model predictions at low temperatures were observed to be highly sensitive to the rate constants of ketohydroperoxide (KHP) decomposition in the case of the OOH group in α position which were modeled based on existing literature studies on ethers. It was noted that in the absence of theoretical or experimental studies, the rate constants for KHP decomposition used in the literature were empirically set. Additional studies are required to address the gap in model prediction obtained in this study and to reduce the uncertainty in kinetics models for ether oxidation. Predicted product concentrations and IDTs showed some quantitative agreement with experimental data, but the overall reactivity of the IDTs is underpredicted. Additionally, significant deviation is observed for the IDT results at 10 atm for the stoichiometric case with minor deviations for the other cases. The reaction pathways to the missing products were then further analyzed theoretically through quantum-mechanical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗