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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Water-carbon dioxide solid phase equilibria at pressures above 4 GPa

A solid phase in the mixed water-carbon dioxide system, previously identified as carbonic acid, was observed in the high-pressure diamond-anvil cell. The pressure-temperature paths of both its melting and peritectic curves were measured, beginning at 4.4GPa and 165°C (where it exists in a quadruple equilibrium, together with an aqueous fluid and the ices H2O(VII) and CO2(I)) and proceeding to higher pressures and temperatures. Single-crystal X-ray diffraction revealed a triclinic crystal with unit cell parameters (at 6.5GPa and 20°C) of a=5.88Å, b=6.59Å, c=6.99Å, α=88.7°, β=79.7°, and γ=67.7°. Raman spectra exhibit a major line at ~1080cm-1 and lattice modes below 300cm-1.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Concentration Dependent Speciation and Mass Transport Properties of Switchable Polarity Solvents

Tertiary amine switchable polarity solvents (SPS) consisting of predominantly water, tertiary amine, and tertiary ammonium and bicarbonate ions were produced at various concentrations for three different amines: N,N-dimethylcyclohexylamine, N,N-dimethyloctylamine, and 1 cyclohexylpiperidine. For all concentrations, physical properties were measured including viscosity, molecular diffusion coefficients, freezing point depression, and density. Based on these measurements a variation on the Mark Houwink equation was developed to predict the viscosity of any tertiary amine SPS as a function of concentration using the amine’s molecular mass. The observed physical properties allowed the identification of solution state speciation of non-osmotic SPS, where the amine to carbonic acid ratio is significantly greater than one. These results indicate that at most concentrations the stoichiometric excess amine is involved in solvating a proton with two amines. The physical properties of osmotic SPS have consistent concentration dependence behavior over a wide range of concentrations; this consistence suggests osmotic pressures based on low concentrations freezing point studies can be reliably extrapolated to higher concentrations.

03 NATURAL GAS↗
DOE OSTI2020

Materials Data on UCO5 by Materials Project

UO2CO3 crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two carbonic acid molecules and two pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCO5 by Materials Project

UO2CO3 crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two carbonic acid molecules and two pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2H20CO13 by Materials Project

(Na(H2O)5)2CO3 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four carbonic acid molecules and four Na(H2O)5 clusters. In each Na(H2O)5 cluster, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.39–2.46 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.51 Å. There are twenty 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 1.00 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 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 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. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eighth 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 ninth 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 tenth 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 eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the twelfth 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 thirteenth 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 fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the seventeenth 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 eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the nineteenth 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 twentieth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Na2H14CO10 by Materials Project

Na2(H2O)7CO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight carbonic acid molecules and two Na2(H2O)7 sheets oriented in the (0, 1, 0) direction. In each Na2(H2O)7 sheet, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.48 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. There are fourteen 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 1.00 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 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh 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 eighth 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 ninth 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 tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eleventh 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 twelfth 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 thirteenth 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 fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoH18CN6ClO3 by Materials Project

(Co(NH3)6)2(CO3)2Cl2 is half-Heusler structured and crystallizes in the cubic P2_13 space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, four carbonic acid molecules, and four hydrochloric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg4Al2H12CO18 by Materials Project

(Mg2Al(HO)6)4(CO3)2(O2)3 crystallizes in the trigonal P31m space group. The structure is two-dimensional and consists of one carbonic acid molecule; three water molecules; and two Mg2Al(HO)6 sheets oriented in the (0, 0, 1) direction. In each Mg2Al(HO)6 sheet, Mg is bonded to six O atoms to form MgO6 octahedra that share edges with three equivalent MgO6 octahedra and edges with three equivalent AlO6 octahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Mg–O bond lengths. Al is bonded to six O atoms to form AlO6 octahedra that share edges with six equivalent MgO6 octahedra. All Al–O bond lengths are 1.93 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Mg, one Al, and one H atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Mg, one Al, and one H atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on PuCNO5 by Materials Project

(PuO2)2N2(CO3)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four ammonia molecules, four carbonic acid molecules, and four plutonium;dihydrate molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UC3N4O11 by Materials Project

UO2(N2)2(CO3)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules; twelve carbonic acid molecules; and four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3MnCSO25 by Materials Project

Ca3MnSO22CO3 crystallizes in the hexagonal P6_3 space group. The structure is two-dimensional and consists of two carbonic acid molecules and two Ca3MnSO22 sheets oriented in the (0, 0, 1) direction. In each Ca3MnSO22 sheet, Ca is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ca–O bond distances ranging from 2.22–2.60 Å. Mn is bonded in an octahedral geometry to six O atoms. There are three shorter (2.06 Å) and three longer (2.12 Å) Mn–O bond lengths. S is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.45 Å) and three longer (1.51 Å) S–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ca and one S atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one O atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Ca atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. The O–O bond length is 1.28 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ca and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one S atom. In the eighth O site, O is bonded in a single-bond geometry to one Ca atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3SiCSO24 by Materials Project

Ca3SiO16CO3SO5 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two carbonic acid molecules; two sulfuric acid, monohydrate molecules; and one Ca3SiO16 ribbon oriented in the (0, 1, 0) direction. In the Ca3SiO16 ribbon, there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.66 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.66 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.67 Å. Si is bonded in a tetrahedral geometry to four O atoms. All Si–O bond lengths are 1.65 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ca atom. In the second O site, O is bonded in a single-bond geometry to one Ca atom. In the third O site, O is bonded in a single-bond geometry to one Ca atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) O–O bond length. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) O–O bond length. In the sixth O site, O is bonded in a distorted tetrahedral geometry to three Ca and one Si atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) O–O bond length. In the eighth O site, O is bonded in a 1-coordinate geometry to two Ca and one Si atom. In the ninth O site, O is bonded in a 1-coordinate geometry to two Ca and one Si atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two Ca and one Si atom. In the eleventh O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Development of Geomechanical Screening Tools to Identify Risk: An Experimental and Modeling Approach for Secure CO 2 Storage Final Technical Report

CO 2 injection in the subsurface introduces additional complexity in terms of interactions of the reservoir host pore fluid with natural heterogeneity of hydro-mechanical properties of the rock. Natural heterogeneity of the reservoir rock and caprock formations includes spatial variation of hydro-mechanical properties as well as the presence of natural fractures. We developed a coupled mathematical modeling and experimental framework that takes into account the effect of rock heterogeneity on effective mechanical properties of the rock in contact with CO 2 . We performed accurate laboratory experiments to determine the changes in rock mechanical properties due to mineral dissolution in the presence of carbonic acid generated by CO 2 injection. A two-scale adaptive homogenization framework was then developed to consistently upscale petrophysical and geomechanical properties to the field scale. Further, we also developed high-fidelity, numerical solution schemes, non-linear and linear solvers and preconditioners to solve the coupled flow, reactive transport and geomechanical system. The numerical model was then used to study field scale CO 2 sequestration problems for the two selected field sites: (1) Frio formation and (2) Cranfield site. We also developed robust schemes for field data assimilation, model calibration such that the residual uncertainty at the end of the data assimilation procedures can be faithfully represented while taking into account the coupled geochemical and geomechanical processes.

42 ENGINEERING↗
NASA NTRS1973

Prediction of engine exhaust concentrations downwind from the Delta-Thor Telsat-A launch of 9 November 1972

Results are presented of the downwind concentrations of engine exhaust by-products from the Delta-Thor Telsat-A vehicle launched from Cape Kennedy, Florida on November 9, 1972 (2014 EST). The meteorological conditions which existed are identified as well as the exhaust cloud rise and the results from the MSFC Multilayer Diffusion Model calculations. These predictions are compared to exhaust cloud sampled data acquired by the Langley Research Center personnel. Values of the surface level concentrations show that very little hydrochloric acid, carbon monoxide, or aluminum oxide reached the ground.

Kaufman, J. W.↗
NASA NTRS1977

Interhemispheric survey of minor upper atmospheric constituents during October - November 1976

The CV-990 aircraft coordinated several flights with a NASA U-2 aircraft, NOAA ground station measurements in Alaska, Hawaii, and American Samoa, and with Australian and New Zealand ground stations, aircraft, and a balloon experiment in the Southern hemisphere. Data were obtained for species including ozone, total ozone, the oxides of nitrogen, the chlorofluoromethanes, water vapor, nitric acid, carbon monoxide, carbon dioxide, hydrogen chloride, Aitken nuclei, ammonia, aerosols, temperatures, and winds. Individual experiment results and selected analyses are presented. The experimental data include total column densities, latitude variations, interhemisphere differences, and vertical profiles.

Gauntner, D. J.↗
NASA NTRS1984

The relationship between dissolved humic acids and soluble iron in estuaries

Dissolved humic acid and soluble iron appear to be chemically unassociated in estuaries despite their coincident removal. This conclusion is supported by differences in the aggregation kinetics of soluble iron and dissolved humic acid, the inability of extracted humic acid to stabilize laboratory preparations of ferric hydroxide, and decreasing ratios of humic acid carbon to soluble iron along the axes of some estuaries.

Fox, L. E.↗
NASA NTRS1990

Vertical distribution of water in the atmosphere of Venus - A simple thermochemical explanation

Several lines of evidence concerning the vertical abundance profile of water in the atmosphere of Venus lead to strikingly unusual distributions (the water vapor abundance decreases sharply in the immediate vicinity of the surface) or to serious conflicts in the profiles (different IR bands suggest water abundances that are discrepant by a factor of 2.5 to 10). These data sets can be reconciled if (1) water molecules associate with carbon dioxide and sulfur trioxide to make gaseous carbonic acid and sulfuric acid in the lower atmosphere, and (2) the discrepant 0.94-micrometer water measurements are due to gaseous sulfuric acid, requiring it to be a somewhat stronger absorber than water vapor in this wavelength region. A mean total water abundance of 50 + or - 20 parts/million and a near-surface free water vapor abundance of 10 + or - 4 parts/million are derived.

Lewis, John S.↗