SEARCH · Search NASA
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.
Hg(N2)2(CNHS)2(HCl)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules, eight isothiocyanic acid molecules, four mercury molecules, and eight nitrogen molecules.
MgCl6 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two MgCl4 clusters. In each MgCl4 cluster, Mg is bonded in a distorted rectangular see-saw-like geometry to four equivalent Cl atoms. All Mg–Cl bond lengths are 2.34 Å. Cl is bonded in a single-bond geometry to one Mg atom.
(Cu)2(As3PS3)8Cl2 crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of four copper molecules, four hydrochloric acid molecules, and sixteen As3PS3 clusters. In each As3PS3 cluster, there are three inequivalent As+0.33+ sites. In the first As+0.33+ site, As+0.33+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. In the second As+0.33+ site, As+0.33+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. In the third As+0.33+ site, As+0.33+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.10 Å) and one longer (2.11 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one As+0.33+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one As+0.33+ and one P5+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one As+0.33+ and one P5+ atom.
RuN4H7O2Cl(NH3)2H2(HCl)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight ammonia molecules, eight hydrochloric acid molecules, four hydrogen molecules, and four RuN4H7O2Cl clusters. In each RuN4H7O2Cl cluster, Ru2+ is bonded in a trigonal bipyramidal geometry to two N2-, two O2-, and one Cl1- atom. There is one shorter (1.86 Å) and one longer (1.87 Å) Ru–N bond length. There is one shorter (1.90 Å) and one longer (2.06 Å) Ru–O bond length. The Ru–Cl bond length is 2.38 Å. There are four inequivalent N2- sites. In the first N2- site, N2- is bonded in a bent 120 degrees geometry to one N2- and two H1+ atoms. The N–N bond length is 1.32 Å. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N2- site, N2- is bonded in a distorted trigonal planar geometry to one Ru2+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N2- site, N2- is bonded in a distorted trigonal planar geometry to one Ru2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N2- site, N2- is bonded in a distorted water-like geometry to one N2- and one O2- atom. The N–O bond length is 1.26 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ru2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru2+ and one N2- atom. Cl1- is bonded in a single-bond geometry to one Ru2+ atom.
CoH15(N3O)2Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two CoH15(N3O)2 clusters. In each CoH15(N3O)2 cluster, Co3+ is bonded in an octahedral geometry to six N2- atoms. There are a spread of Co–N bond distances ranging from 1.95–2.11 Å. There are six inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the third N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the fourth N2- site, N2- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. Both N–O bond lengths are 1.24 Å. In the fifth N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. In the sixth N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. There are fifteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2- atom.
(Tl)6Cl2 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one hydrochloric acid molecule and three thallium molecules.
(Co(NH3)6)2(HgBr4)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, four hydrochloric acid molecules, and four HgBr4 clusters. In each HgBr4 cluster, Hg2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.
(AgC3H12(N2S)3)2(H2O)2Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules, two water molecules, and one AgC3H12(N2S)3 cluster. In the AgC3H12(N2S)3 cluster, Ag1+ is bonded to four S2- atoms to form edge-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–3.00 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.33 Å) and one longer (1.34 Å) C–N bond length. The C–S bond length is 1.74 Å. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. In the third C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one C4+ atom.
Byproduct residues generated from Aqueous Chloride Pu and Am recovery operations at Los Alamos National Laboratory have been investigated and determined to contain high weight % chloride salts and minimal hydrogen content. Hydrogen content is the result of limited surface area adsorption of ambient moisture. The assumption used in technical analysis NCS-TECH-19-029 to model potentially hydrogenous items as mixtures of polyethylene is shown to be overly conservative. Our results and literature precedent indicate that water adsorption of 1-3 % by weight is expected for hydroxide cakes and Pu oxides, and a conservative bounding assumption for these materials is 5% water by weight. LOH results for a dissolution heel stored long term showed 6.25% weight loss, which was conservatively assumed to be water. A conservative bounding assumption for dissolution heels is 8 wt.% water content. This equates to 0.55 % hydrogen by weight for hydroxide cakes, and 0.88% hydrogen by weight for dissolution heels. The bulk composition of dissolution heels reflects the composition of the original byproduct feed material, chloride salts of potassium, sodium, magnesium and calcium. The bulk composition of calcined hydroxide precipitation residues is composed of potassium chloride as a result of potassium hydroxide neutralization of hydrochloric acid solutions. Metal hydroxides generated during the hydroxide precipitation process are decomposed under the conditions of calcination to metal oxide forms.
Concerning the SAVY 4000 container LANL inspection acceptance of Ra (surface roughness) and its correlation to subsequent surface corrosion, a problem statement has been identified. The problem statement is as follows: When the 316L container has been subjected to accommodating materials producing high wattage, along with materials that eventually produce HCL (hydrochloric acid) will a higher or lower Ra on the inner surface of the SAVY 4000 container influence the rate or the amount of corrosion? In an effort to address this concern, a literature review covering more fundamental studies that examine the influence of roughness on corrosion in metals are surveyed. The scope is kept relevant to the less dynamic storage conditions that a SAVY container may be exposed to.
In this work the isotopic ratios and weight percentages of 238 Pu, 239 Pu, 240 Pu, 241 Pu and 242 Pu were determined using Isotope Dilution Mass Spectrometry. Two samples of C136A and C138A were sent to the Analytical Research laboratories by the National Nuclear Security Administration Nuclear Reference Material Program. The four samples were dissolved in concentrated hydrochloric acid. From the parent solutions, eight aliquots were taken, diluted, spiked with 244 Pu and submitted to separations. After the samples were separated, they were analyzed using Multicollector Inductively Coupled Plasma Mass Spectrometry. Along with the samples, two C126A Quality Control Samples were analyzed each day. Mass bias standards were also analyzed at the beginning, during and at the end of the analysis. GUM Workbench Pro software Version 2.4.1.406 was used to calculate the isotopic ratios relative to 239 Pu, and total Pu mass and the correlated expanded uncertainties.
This work compares different electrodeposition procedures to produce nickel black coatings as greener and less toxic alternatives to Cr(VI)-based coatings used in different applications. Nickel and nickel-plated brass served as substrates in studies with a Hull cell and polarization curves. After a set of comparative experiments, the best electrodeposition procedure was further studied and optimized. Optimal conditions were found with a bath consisting of 75 g/L NiCl2·6H2O + 30 g/L NaCl and a current density of 0.143 A dm−2 applied for 5 min at room temperature. Furthermore, a pre-treatment with 18.5 vol.% of hydrochloric acid in water was found to be necessary to warrant good coating adhesion to the substrate. The black color is attributed to the development of a nanostructured surface that absorbs the incident light. Corrosion testing was performed in 0.5 M NaCl aqueous solution using electrochemical impedance spectroscopy (EIS) and polarization tests.
Graphene produced by different methods can present varying physicochemical properties and quality, resulting in a wide range of applications. The implementation of a novel method to synthesize graphene requires characterizations to determine the relevant physicochemical and functional properties for its tailored application. We present a novel method for multilayer graphene synthesis using atmospheric carbon dioxide with characterization. Synthesis begins with carbon dioxide sequestered from air by monoethanolamine dissolution and released into an enclosed vessel. Magnesium is ignited in the presence of the concentrated carbon dioxide, resulting in the formation of graphene flakes. These flakes are separated and enhanced by washing with hydrochloric acid and exfoliation by ammonium sulfate, which is then cycled through a tumble blender and filtrated. Raman spectroscopic characterization, FTIR spectroscopic characterization, XPS spectroscopic characterization, SEM imaging, and TEM imaging indicated that the graphene has fifteen layers with some remnant oxygen-possessing and nitrogen-possessing functional groups. The multilayer graphene flake possessed particle sizes ranging from 2 µm to 80 µm in diameter. BET analysis measured the surface area of the multilayer graphene particles as 330 m 2 /g, and the pore size distribution indicated about 51% of the pores as having diameters from 0.8 nm to 5 nm. This study demonstrates a novel and scalable method to synthesize multilayer graphene using CO 2 from ambient air at 1 g/kWh electricity, potentially allowing for multilayer graphene production by the ton. The approach creates opportunities to synthesize multilayer graphene particles with defined properties through a careful control of the synthesis parameters for tailored applications.
Flowsheet design and stage determination for the separation of rare earth elements (REEs) using solvent extraction (SX) is a challenging task because of the chemical similarity of the REEs. Low separation factors between the elements and complex equilibrium chemistry provide unique challenges to designing an efficient flowsheet for the separation of elements. The multi-stage nature of the SX process adds further complexity, making the assessment of products for a proposed design and stage combination difficult. Therefore, to develop a SX flowsheet, it is essential to quantify the performance for various design and separation conditions. This paper attempts to address the challenge by utilizing an equilibrium and process modeling approach. Results from a bench-scale study performed on a 10 g/L rare earth salt mixture were used in studying the extraction/stripping behavior and developing equilibrium models. DEHPA with TBP as a phase modifier was used as an extractant, while hydrochloric acid was utilized as a stripping agent. The results obtained were used in developing extraction/stripping models, which were integrated into a process framework of a SX train in a Matlab/Simulink environment. The models were programmed as a function block routine and used for developing a flowsheet, which was simulated for differing separation and design conditions. To identify optimum stage combinations, a particle swarm optimization (PSO) routine was developed and implemented for each SX train. Recovery and purity of elements of interest were used as objective function criteria. The stage combination leading to the minimization of the objective function was used to identify the optimum stage combination for a series of SX trains to attempt a balance of purity and recovery. The models and optimization method were implemented to separate a feed mixture containing REEs, which indicated that 99.52 and 85.41 percent purity is achievable for Yttrium and Lanthanum separation using 8-12-3 and 10-3-5 stage combination for loading, scrubbing, and striping. The model also indicated difficult separability between neodymium, praseodymium, and cerium.
A functionalized fiber. The functionalized fiber includes a fiber strand and silica nanoparticles at least partially encapsulating the fiber strand. The silica nanoparticles are synthesized by hydrolyzing a tetramethyl orthosilicate in hydrochloric acid to form silicic acid monomers. The silicic acid monomers are diluted in acetone and irradiated for a time that is less than 90 seconds with an energy source configured to generate microwave frequency energy to polymerize the silicic acid monomers into the silica nanoparticles.
Current aqueous plutonium processing models for criticality safety often contain significant bias due to material modeling assumptions. These solutions include plutonium chloride solutions, which are modeled as fictitious plutonium metal-water mixtures because little is known about the actual density of the solution. Furthermore, there is no current predictive capability for modeling plutonium metal-water mixtures that is approved for use at Los Alamos National Laboratory (LANL). Recent density measurements for aqueous plutonium chloride systems (PuCl 3 -HCl-H 2 O) now allow for the development and application of a more realistic density law. This work develops a Python-based density law for this ternary solution using an empirical method. This code can be used in conjunction with an MCNP6 input to determine the density and composition of a solution based upon user inputs of plutonium concentration, hydrochloric acid concentration, and temperature. The tool allows users to input plutonium and acid content of a solution in terms of molality, molarity, or concentration, and predicts density within the current data range within 1.4% of experimental data. Current preliminary MCNP6 calculations utilizing this tool have demonstrated a minimum decrease in system reactivity of 5% in comparison to the current modeling conventions. Thus, this tool enables more accurate criticality safety operational limits by better crediting chorine content while still maintaining necessary conservatism.
The U.S. Department of Energy (DOE) Idaho National Laboratory (INL) Site operates facilities with potential emissions criteria and hazardous air pollutants. This report documents the calendar year 2020 criteria and hazardous air pollutants emissions and has been prepared to comply with permit to construct (PTC) P-2015-0023, Condition 2.9 and Idaho Administrative Procedures Act (IDAPA) 58.01.01.178, Standard Contents of Permits Establishing a Facility Emissions Cap (FEC). IDAPA 58.01.01.178.04 requires that all permits establishing a FEC shall include sufficient reporting to assure compliance with the permit establishing the FEC. Total hazardous air pollutant (HAP) emissions for the year were 0.59 tons in aggregate and the maximum individual HAP was hydrochloric acid at 0.35 tons. Criteria pollutant emissions were 1.23 tons for sulfur dioxide, 40.96 tons for oxides of nitrogen, 11.7 tons of carbon monoxide, 3.01 tons of total particulate matter and 1.98 tons of volatile organic compounds (VOC).
Radioactive arsenic (As) isotopes are of growing interest for applications in nuclear medicine, national security, and environmental research. Recent efforts at the Facility for Rare Isotope Beams (FRIB) have focused on aqueous harvesting of selenium-72,73 ( 72,73 Se) and their daughter isotopes, arsenic-72,73 ( 72,73 As), which are particularly valuable for medical applications and nuclear data studies, respectively. Both conventional isotope production and harvesting methods require chemical separations to purify radioactive As from parent and co-produced Se radioisotopes. While several solid-phase separation methods for As and Se exist, many depend on complex oxidation state control or highly acidic conditions. This study presents results for sulfur-based solid-phase materials selected to enable uptake at lower acidity and eliminate the need for intricate redox chemistry. Specifically, the performance of three covalently bound sulfur-based ligands were evaluated: (1) thiophenol-polystyrene, (2) propanethiol-silica, and (3) thiourea-silica. Uptake characteristics—including distribution coefficients (Dw), kinetics, and column separation behavior—were assessed using 75 Se and 73 As in hydrochloric (HCl) acid and nitric (HNO 3 ) solutions. The resins demonstrated high-yield (>95%) and high-purity As recovery across a range of HCl concentrations. Comparable results in HNO 3 were achieved when combined with anion exchange chromatography. Furthermore, the potential application of these materials for medical isotope generators was also investigated through ligand stability and repeated elution studies. Overall, sulfur leaching from the resins was negligible at the concentrations relevant for these separations but increased with higher acid concentrations.