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Results for “HYDROCHLORIC ACID”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Temperature-dependent complex dielectric permittivity: a simple measurement strategy for liquid-phase samples

Abstract Microwaves (MWs) are an emerging technology for intensified and electrified chemical manufacturing. MW heating is intimately linked to a material’s dielectric permittivity. These properties are highly dependent on temperature and pressure, but such datasets are not readily available due to the limited accessibility of the current methodologies to process-oriented laboratories. We introduce a simple, benchtop approach for producing these datasets near the 2.45 GHz industrial, medical, and scientific (ISM) frequency for liquid samples. By building upon a previously-demonstrated bireentrant microwave measurement cavity, we introduce larger pressure- and temperature-capable vials to deduce temperature-dependent permittivity quickly and accurately for vapor pressures up to 7 bar. Our methodology is validated using literature data, demonstrating broad applicability for materials with dielectric constant ε' ranging from 1 to 100. We provide new permittivity data for water, organic solvents, and hydrochloric acid solutions. Finally, we provide simple fits to our data for easy use.

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

In situ Bragg coherent X-ray diffraction imaging of corrosion in a Co–Fe alloy microcrystal

Corrosion is a major concern for many industries, as corrosive environments can induce structural and morphological changes that lead to material dissolution and accelerate material failure. The progression of corrosion depends on nanoscale morphology, stress, and defects present. Experimentally monitoring this complex interplay is challenging. Here we implement in situ Bragg coherent X-ray diffraction imaging (BCDI) to probe the dissolution of a Co-Fe alloy microcrystal exposed to hydrochloric acid (HCl). By measuring five Bragg reflections from a single isolated microcrystal at ambient conditions, we compare the full three-dimensional (3D) strain state before corrosion and the strain along the [111] direction throughout the corrosion process. We find that the strained surface layer of the crystal dissolves to leave a progressively less strained surface. Interestingly, the average strain closer to the centre of the crystal increases during the corrosion process. We determine the localised corrosion rate from BCDI data, revealing the preferential dissolution of facets more exposed to the acid stream, highlighting an experimental geometry effect. These results bring new perspectives to understanding the interplay between crystal strain, morphology, and corrosion; a prerequisite for the design of more corrosion-resistant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Coordination Chemistry and Stoichiometry of Extracted Diglycolamide Complexes of Lanthanides in Extraction Chromatography Materials

Industrial rare earth element (REE) separations predominantly utilize solvent extraction processes tailored toward conventional resources such as bastnäsite, monazite, and ion adsorption clays. Advances in diglycolamide (DGA) chemistry have shown effective extraction characteristics for REE separations. However, limitations associated with traditional DGA solvent extraction techniques, such as third-phase formation and gelling, have hindered commercial viability. By supporting DGA extractants on porous resins such as polystyrene divinyl benzene (PS-DVB), the desirable combination of solvent extraction selectivity and ease of operation of sorbent columns can be achieved. To design a low-cost model for such solid-supported DGAs, extraction characteristics as influenced by the underlying coordination chemistry must be explored to achieve efficient functional systems. Within this study, we report novel DGA resin materials, each incorporating one of the DGAs N,N,N’,N’-tetra-(1-octyl)-3-oxapentane-1,5-diamide (TODGA), N,N'-dimethyl-N,N'-dioctyl-3-oxapentane-1,5-diamide (DMDODGA), and 2,2'-oxybis(1-(3-(((2-ethylhexyl)thio)methyl)-4-methylpyrrolidin-1-yl)ethan-1-one) (DEHPDGA). The affinity of DGAs across the lanthanide (Ln) series was evaluated for both hydrochloric acid and nitric acid media with varying Ln feed concentrations to study distribution ratios and loading characteristics. Focusing on dysprosium, extended X-Ray Absorption Fine Structure (EXAFS) and density functional theory (DFT) calculations were also utilized to explore coordination chemistry and their effects on ligand performance. The general trend for both acid media resulted in DMDODGA having the highest extraction strength of all three DGAs at varying acid concentrations. Coordination-chemistry analysis supported by loading data, DFT calculations, and EXAFS results under forced loading conditions posited less than the expected 3:1 ligand-to-metal coordination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

(NH 4 ) 2 [UO 2 Cl 4 ]·2H 2 O, a new uranyl tetrachloride with ammonium charge-balancing cations

A new uranyl tetrachloride salt with chemical formula, (NH 4 ) 2 [UO 2 Cl 4 ]·2H 2 O, namely, diammonium uranyl tetrachloride dihydrate, 1 , was prepared and crystallized via slow evaporation from a solution of 2 M hydrochloric acid. As confirmed by powder X-ray diffraction, the title compound crystallizes with an ammonium chloride impurity that formed as a result of the breakdown of a triazine precursor. The (UO 2 Cl 4 ) 2− dianion is charge balanced by ammonium cations, while an extensive hydrogen-bond network donated from structural water molecules stabilize the overall assembly. Compound 1 adds to the extensive collection of actinyl tetrachloride salts, but it represents the first without an alkali cation for purely inorganic compounds. Diffuse reflectance and luminescence spectra show typical absorption and emission behavior, respectively, of uranyl materials.

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

Synthesis of mesoporous silica using a mineral silica source

Abstract Mesoporous silica has been applied in catalysis, separations, and drug delivery. It has generally been made using organosilicon precursors such as tetraethyl orthosilicate. For sustainability, it is necessary to find readily accessible mineral sources for making mesoporous silica. In this work, we demonstrate the successful synthesis of mesoporous silica with 10 nm average pore size using the mineral forsterite (Mg 2 SiO 4 ) as a silica source, providing a potentially cheaper and more Earth‐friendly route to making technologically important porous silica materials. Pure forsterite was synthesized by a solid‐state chemistry route at 1000°C and underwent dissolution–reprecipitation in aqueous hydrochloric acid containing the soft template surfactant, Pluronic P123. Variations of initial reaction pH (−0.2 to 0.6), reaction time (12–24 h), reaction temperature (50 to 90°C), and silica precursor (forsterite and fumed silica) were performed. The mesoporous silica aged at 70°C for 24 h had the highest porosity, with a surface area of 735 m 2 /g and a pore volume of 1.4 ml/g, comparable to mesoporous silica made using conventional starting materials. This novel geomimetic synthesis route supports the possibility of analogous formation of structured (mesoporous or zeolitic) silica in nature under abiotic or prebiotic conditions.

Materials Science↗
DOE OSTI2020

Materials Data on LaH24C3N3(Cl2O)3 by Materials Project

LaH6O3Cl4(CH3NH3)3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight hydrochloric acid molecules; twelve methylammonium molecules; and two LaH6O3Cl4 ribbons oriented in the (1, 0, 0) direction. In each LaH6O3Cl4 ribbon, La3+ is bonded in a 9-coordinate geometry to three O2- and six Cl1- atoms. There are a spread of La–O bond distances ranging from 2.59–2.67 Å. There are a spread of La–Cl bond distances ranging from 2.90–3.10 Å. There are three 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one La3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuH24C4N4Cl7 by Materials Project

(LuCl6)2(CH3NH3)8Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules, eight methylammonium molecules, and two LuCl6 clusters. In each LuCl6 cluster, Lu3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Lu–Cl bond distances ranging from 2.56–2.65 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Lu3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Lu3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Lu3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HCl by Materials Project

HCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and four hydrogen molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrH12(ClO3)2 by Materials Project

Sr(H2O)6Cl2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and one Sr(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Sr(H2O)6 ribbon, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.57 Å) and six longer (2.76 Å) Sr–O bond lengths. There are two 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaH12(ClO3)2 by Materials Project

Ca(H2O)6Cl2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and one Ca(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Ca(H2O)6 ribbon, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.46 Å) and six longer (2.63 Å) Ca–O bond lengths. There are two 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Ca2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Ca2+ and two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YH12(ClO2)3 by Materials Project

(YH12(O3Cl)2)2Cl2 is beta-prime cadmium gold structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules and two YH12(O3Cl)2 clusters. In each YH12(O3Cl)2 cluster, Y3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are two shorter (2.37 Å) and four longer (2.39 Å) Y–O bond lengths. Both Y–Cl bond lengths are 2.81 Å. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Y3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Y3+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Y3+ and two H1+ atoms. Cl1- is bonded in a 1-coordinate geometry to one Y3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UH12(ClO2)3 by Materials Project

(UH12(O3Cl)2)2Cl2 is beta-prime cadmium gold structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules and two UH12(O3Cl)2 clusters. In each UH12(O3Cl)2 cluster, U3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are four shorter (2.50 Å) and two longer (2.52 Å) U–O bond lengths. Both U–Cl bond lengths are 2.92 Å. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one U3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one U3+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one U3+ and two H1+ atoms. Cl1- is bonded in a 1-coordinate geometry to one U3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H12OsN5Cl3O by Materials Project

OsN5H12OClCl2 crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two OsN5H12OCl clusters. In each OsN5H12OCl cluster, Os8+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There is one shorter (1.75 Å) and four longer (2.14 Å) Os–N bond length. The Os–Cl bond length is 2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. There are two 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. O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Os8+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlH36C12S6(ClO2)3 by Materials Project

(CH3)24(Al(SO)6)2(Cl2)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydrochloric acid molecules, thirty-six methane molecules, and three Al(SO)6 clusters. In each Al(SO)6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.92 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a bent 120 degrees geometry to one Al3+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2ClO2 by Materials Project

(PbO)4Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and two PbO sheets oriented in the (0, 0, 1) direction. In each PbO sheet, Pb is bonded in a 4-coordinate geometry to four equivalent O atoms. All Pb–O bond lengths are 2.35 Å. O is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H4NCl by Materials Project

NH4Cl is Silicon tetrafluoride-derived structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one ammonium molecule and one hydrochloric acid molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2AlH10ClO8 by Materials Project

(Ca2Al(H5O4)2)2Cl2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrochloric acid molecules and two Ca2Al(H5O4)2 sheets oriented in the (0, 0, 1) direction. In each Ca2Al(H5O4)2 sheet, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.51 Å. Al3+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Al–O bond length. There are five 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 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fourth 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 fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Al3+, and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Al3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Al3+, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoH22N7(ClO2)4 by Materials Project

Co(NH3)6NH4(O4Cl)2Cl2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one azane;cobalt molecule; two hydrochloric acid molecules; and one NH4(O4Cl)2 ribbon oriented in the (1, 0, 0) direction. In the NH4(O4Cl)2 ribbon, N+0.71- is bonded in a square co-planar geometry to four H1+ atoms. There is two shorter (1.06 Å) and two longer (1.08 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.67 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Cl1- atom. The O–Cl bond length is 1.48 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

36 MATERIALS SCIENCE↗