Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “dioxide”

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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Local structure elucidation of tungsten-substituted vanadium dioxide (V$$_{1-x}$$W$$_x$$O$$_2$$)

Abstract Initially, vanadium dioxide seems to be an ideal first-order phase transition case study due to its deceptively simple structure and composition, but upon closer inspection there are nuances to the driving mechanism of the metal-insulator transition (MIT) that are still unexplained. In this study, a local structure analysis across a bulk powder tungsten-substitution series is utilized to tease out the nuances of this first-order phase transition. A comparison of the average structure to the local structure using synchrotron x-ray diffraction and total scattering pair-distribution function methods, respectively, is discussed as well as comparison to bright field transmission electron microscopy imaging through a similar temperature-series as the local structure characterization. Extended x-ray absorption fine structure fitting of thin film data across the substitution-series is also presented and compared to bulk. Machine learning technique, non-negative matrix factorization, is applied to analyze the total scattering data. The bulk MIT is probed through magnetic susceptibility as well as differential scanning calorimetry. The findings indicate the local transition temperature ( $$T_c$$ T c ) is less than the average $$T_c$$ T c supporting the Peierls-Mott MIT mechanism, and demonstrate that in bulk powder and thin-films, increasing tungsten-substitution instigates local V-oxidation through the phase pathway VO $$_2\, \rightarrow$$ 2 → V $$_6$$ 6 O $$_{13} \, \rightarrow$$ 13 → V $$_2$$ 2 O $$_5$$ 5 .

Wilson, Catrina E. (ORCID:0000000173397318)↗
DOE OSTI2023

Emerging concepts in intermediate carbon dioxide emplacement to support carbon dioxide removal

Substantial upscaling of carbon dioxide capture is possible in the coming decades but existing solutions for storage are projected to be limited in annual capacity by as much as 2–10 GtCO 2 per year until mid-century. Temporary storage of CO 2 in a solid or liquid state could prove useful for filling this gap in capacity, until more permanent and ideally lucrative CO 2 sequestration options come online. There are several concepts for reversible solid-state and chemical CO 2 storage, but their advantages and limitations have yet to be reviewed in this context. This article focuses on the physical and chemical aspects of CO 2 storage via liquid and solid chemical carriers and sorbents, and gives an overview of the energetics around their use, as well as prospects for their future development. Exciting opportunities for coupling capture and medium to high maturity multi-year storage technologies could support carbon removal in the coming decades. Highlights of the analysis are the remarkable storage capacity of oxalic acid and formic acid (CO 2 -density of 1857 kg m –3 and 1152 kg m –3 , compared with condensed liquid CO 2 at 993–1096 kg m –3 , respectively), the relative scalability and compatibility of carbonate salts for stationary storage with direct air capture, and the potential promise of multiple carriers for CO 2 transportation. Solid sorbents do not achieve such ultra-high storage capacities, but could improve storage over compressed gas tanks on a capacity and energetics basis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A molecular dynamics survey of grain boundary energy in uranium dioxide and cerium dioxide

Uranium dioxide (UO 2 ) is the primary fuel material that is used in current nuclear reactors. As one of the most fundamental material parameters, grain boundary (GB) energy strongly influences many fuel properties, and the influences depend on the characters and properties of individual GBs. Using molecular dynamics simulations, a high throughput survey of GB energy in UO 2 was carried out for the purpose of elucidating the roles of GB geometry such as misorientation and inclination, as well as the bonding nature of UO 2 , in affecting GB energy. GB energies in CeO 2 were calculated as well for comparison with UO2toinvestigate the generality of GB energy anisotropy in fluorite phase oxides. The results show significant GB energy anisotropy in both UO 2 and CeO 2 that is associated with the cubic symmetry of the fluorite structure. More interestingly, the GB anisotropy is found to be dependent not only on the crystal structure but also the ionic bonding. As such, the GB energy anisotropy in fluorite oxides has significant differences compared with that in fcc metals. We report that the data obtained and the increased knowledge on GB anisotropy will facilitate GB engineering for nuclear fuels with improved properties

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1972

Interaction of sulfur dioxide and carbon dioxide with clean silver in ultrahigh vacuum.

It is shown that when a clean polycrystalline silver surface is subjected to sulfur dioxide at a pressure of 1 nanotorr, sulfur is chemisorbed to the silver. Heating the contaminated silver leads to an estimation of the minimum heat of desorption of 59 kcal/mol. Sulfur Auger peak height and relative function measurements of the surface during exposure show that adsorption occurs during 6 microtorr/sec exposure at 1 nanotorr.

Lassiter, W. S.↗
NASA NTRS1999

CO2 Compressor Requirements for Integration of Space Station Carbon Dioxide Removal and Carbon Dioxide Reduction Assemblies

This paper describes the analysis on integration requirements, CO2 compressor in particular, for integration of Carbon Dioxide Removal Assembly (CDRA) and CO2 Reduction Assembly (CRA) as a part of the Node 3 project previously conducted at JSC/NASA. A system analysis on the volume and operation pressure range of the CO2 accumulator was conducted. The hardware and operational configurations of the CO2 compressor were developed. The performance and interface requirements of the compressor were specified. An existing Four-Bed Molecular Sieve CO2 removal computer model was modified into a CDRA model and used in analyzing the requirements of the CDRA CO2 compressor. This CDRA model was also used in analyzing CDRA operation parameters that dictate CO2 pump sizing. Strategy for the pump activation was also analyzed.

Jeng, Frank F.↗
DOE OSTI2020

Heat Transfer Coefficients of Additively Manufactured Tubes with Internal Pin Fins for Supercritical Carbon Dioxide Cycle Recuperators

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO 2 flowing in additively manufactured tubes with internal pin fins at the US DOE’s National Energy Technology Laboratory in Morgantown, WV. The measurement procedures were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over Reynolds numbers (ReD) ranging from 5 × 10 4 to 2.5 × 10 5 , measured Nu was within 5% of the Dittus-Boelter correlation and measured friction factors were within 5% of the McAdams correlation for smooth tube flow. The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section and were printed at a 30⁰ angle relative to the inner wall (to meet AM constraints). The pin arrangement was helical to promote enhanced heat transfer due to swirl flow. Pin length to diameter aspect ratio was 1.33, 2, and 8, while the pin diameter to tube diameter ratio was 0.188, 0.125, and 0.063. Tests were performed for ReD varying from 6.9 × 10 4 to 2.2 × 10 5 and at conditions equivalent to the low pressure (LP) outlet (8.69 MPa, 361 K) and the high pressure (HP) inlet (20.7 MPa, 350 K) of the low temperature recuperator (LTR) in an indirect sCO 2 cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients. For the best performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.19), the local heat transfer coefficient increased by 136% relative to the Dittus-Boelter correlation at the LTR low pressure outlet and 194% at the LTR high pressure inlet. These correspond to a 282% and a 271% increase in the product of the heat transfer coefficient and surface area (adjusted for fin efficiency) product, respectively. Large pressure drops across the test articles were observed. For Tube Design A, the average friction factor, across the range of ReD considered, was significantly larger than the McAdams correlation at both the LTR LP outlet and the LTR HP inlet. A thermal performance factor was utilized to express the ratio of material required to build a finned heat exchanger relative to a finless heat exchanger with the same heat duty and pumping power. Tube Design A was estimated to decrease the required heat exchanger material by 13%.

Searle, Matthew↗
DOE OSTI2021

Effect of Added Gadolinium Oxide on the Thermal Air Oxidation of Uranium Dioxide

To develop a more reliable and stable UO2-based nuclear fuel, the Pacific Northwest National Laboratory (PNNL) investigated modifying fuel with several soluble lanthanides and zirconium. This article provides the results of these studies investigating gadolinium doping at levels up to 10 mass%. The authors characterized and compared commercially- and PNNL-prepared gadolinium-doped UO2 to determine the oxygen-to-metal ratio, elemental distribution, chemical composition, physical appearance, lattice parameters, and grain structure using atomic force microscopy, scanning electron microscopy coupled with energy dispersive spectroscopy, and X-ray diffractometry. After confirming PNNL-prepared UO2 and (Gd,U)O2 were similar to commercially prepared UO2 and (Gd,U)O2, we measured the thermal behavior of these gadolinium-doped UO2 materials to air oxidation using differential scanning calorimetry and thermogravimetric analysis. Addition of gadolinium stabilized the first oxidation product U4¬O9/U3O7 and slowed the subsequent oxidation to U3O8. Comparison of our measured two-step oxidation of UO2 to U3O8 at 325°C to common gas/solid kinetic reaction models found that each oxidation step is best described as a convolution of kinetic behaviors; the gadolinium insertion into the UO2 lattice enforces a significant alteration in mechanism and oxidation rate. Noticeable changes in mechanism become apparent between 1% and 3% gadolinium content.

Uranium Dioxide, Gadolinium Oxide, Thermal Air Oxi↗
DOE OSTI2021

A {Ni 12 }-Wheel-Based Metal-Organic Framework for Coordinative Binding of Sulphur Dioxide and Nitrogen Dioxide

Air pollution by SO 2 and NO 2 has caused significant risks on the environment and human health. Understanding the mechanism of active sites within capture materials is of fundamental importance to the development of new clean-up technologies. We report the crystallographic observation of reversible coordinative binding of SO 2 and NO 2 on open Ni II sites in a metal-organic framework (NKU-100) incorporating unprecedented {Ni 12 }-wheels; each wheel exhibits six open Ni II sites on desolvation. Immobilised gas molecules are further stabilised by cooperative host-guest interactions comprised of hydrogen bonds, π∙∙∙π interactions and dipole interactions. At 298 K and 1.0 bar, NKU-100 shows adsorption uptakes of 6.21 and 5.80 mmol g -1 for SO 2 and NO 2 , respectively. Dynamic breakthrough experiments have confirmed the selective retention of SO 2 and NO 2 at low concentrations under dry conditions. This work will inspire the future design of efficient sorbents for the capture of SO 2 and NO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Synergistic Electrocatalytic Syngas Production from Carbon Dioxide by Bi‐Metallic Atomically Dispersed Catalysts

Abstract The production of syngas by traditional processes such as steam methane reforming is energetically intensive and produces a large amount of CO 2 emissions. In contrast, the electrochemical CO 2 reduction reaction (CO 2 RR) enables the carbon neutral production of syngas at ambient conditions. Among non‐precious metal catalysts, metal‐nitrogen‐carbon electrocatalysts are inexpensive and highly selective towards syngas production. This study examined the selectivity of mono‐ and bi‐metallic (M−N−C, M=Fe, Mo or FeMo) electrocatalysts towards syngas production. The ratio of the CO : H 2 in the syngas was tuned by modifying the ratio of the metallic precursors in the bi‐metallic FeMo−N−C catalysts, tailoring the catalysts’ selectivity towards the CO 2 RR or the hydrogen evolution reaction (HER). The catalyst synthesis temperature(s) were considered as they influence the catalyst morphology and activity. Further, the dependence of the ratio of CO : H 2 in the syngas as a function of the potential was explored for the different bi‐metallic catalysts. This work showed that by tailoring both the ratio of Fe : Mo in the bi‐metallic catalyst and optimizing the reductive potential, a CO : H 2 ratio between 0.25 to 5 was achievable. This study demonstrated a novel approach in which the ratio of the product syngas composition could be tailored in a single reaction, without the need for further downstream processing to reach a desired composition.

Delafontaine, Laurent↗