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N2(NO)4(SO3)4 crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of four ammonia molecules, eight nitroxyl molecules, and eight sulfur trioxide molecules.
FeO6(NO)2(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two chebi:30649 molecules, four nitroxyl molecules, and four sulfur trioxide molecules.
NiO6(SO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one NiO6 cluster. In the NiO6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.74–1.93 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a 2-coordinate geometry to one Ni and one O atom.
NiO6(NO)2(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules, four sulfur trioxide molecules, and two NiO6 clusters. In each NiO6 cluster, Ni is bonded in a distorted rectangular see-saw-like geometry to four O atoms. All Ni–O bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Ni and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.39 Å. In the third O site, O is bonded in an L-shaped geometry to one Ni and one O atom.
NiO6(SO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one NiO6 cluster. In the NiO6 cluster, Ni is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.63 Å) and two longer (2.15 Å) Ni–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom.
CuN4(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two nsc1302 molecules and four sulfur trioxide molecules.
(NAgN)2N2(NS2)4(N2Cl)4(SO3)8 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of four ammonia molecules, sixteen sulfur trioxide molecules, eight N2Cl clusters, four NAgN clusters, and eight NS2 clusters. In each N2Cl cluster, N+4.56+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.50 Å. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent N+4.56+ atoms. In each NAgN cluster, Ag1+ is bonded in a distorted linear geometry to two equivalent N+4.56+ atoms. Both Ag–N bond lengths are 2.07 Å. N+4.56+ is bonded in a single-bond geometry to one Ag1+ atom. In each NS2 cluster, N+4.56+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.53 Å. S2- is bonded in a distorted single-bond geometry to one N+4.56+ atom.
NdO9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two NdO9 clusters. In each NdO9 cluster, Nd is bonded in a 6-coordinate geometry to six equivalent O atoms. All Nd–O bond lengths are 2.43 Å. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.
(N2)3(SO3)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve ammonia molecules and eight sulfur trioxide molecules.
Bi(H2O)9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two Bi(H2O)9 clusters. In each Bi(H2O)9 cluster, Bi5+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.49 Å) and three longer (2.61 Å) Bi–O bond lengths. 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 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Bi5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Bi5+ and two equivalent H1+ atoms.
Current plans for the River Protection Project envision starting to vitrifying low-activity waste (LAW) by 2023 using a Direct Feed Low-Activity Waste (DFLAW) approach and subsequently using a full-pretreatment approach. The Hanford Tank Waste Treatment and Immobilization Plant (WTP) LAW Facility will be operated and controlled using a LAW glass formulation algorithm (GFA), which requires several inputs based on research and development results. LAW glass property-composition models for several product quality and processing properties are key inputs for the LAW GFA. It is envisioned that the preliminary LAW GFA discussed by Kim and Vienna (2012) will be used for commissioning and initial radioactive operations of the WTP LAW Facility under Bechtel National, Inc. using the DFLAW approach. Then, an updated LAW GFA will be developed for implementation by the WTP operating contractor that takes over after WTP LAW Facility commissioning. This report documents the enhanced LAW glass property-composition models developed for use in the updated LAW GFA. The properties for which models were developed include Product Consistency Test (PCT) response, Vapor Hydration Test (VHT) response, viscosity at 1150 °C, electrical conductivity at 1150 °C, melter SO3 tolerance at 1150 °C, and K-3 refractory corrosion at 1208 °C. Table S.1 lists the tables in this report that contain the recommended models for each of these properties. The model types recommended include partial quadratic mixture (PQM) models for viscosity, electrical conductivity, melter SO 3 tolerance and K-3 corrosion, bias corrected PQM model (bcPQM) for PCT, and logistic PQM model for VHT. The fits of model and validation subsets were found to be well predicted by the recommended models.
The stability of chromium sulfate in the temperature range from 880 K to 1040 K was determined by employing a dynamic gas-solid equilibration technique. The solid chromium sulfate was equilibrated in a gas stream of controlled SO3 potential. Thermogravimetric and differential thermal analyses were used to follow the decomposition of chromium sulfate. X-ray diffraction analysis indicated that the decomposition product was crystalline Cr2O3 and that the mutual solubility between Cr2(SO4)3 and Cr2O3 was negligible. Over the temperature range investigated, the decomposition pressure were significantly high so that chromium sulfate is not expected to form on commercial alloys containing chromium when exposed to gaseous environments containing oxygen and sulfur (such as those encountered in coal gasification).
Two forms of nitrosyl sulfuric acid (NOHSO4 and NOHS2O7) have been tentatively identified in stratospheric aerosols. The first of these can be formed either directly from gas reactions of NO2 with SO2 or by gas-particle interactions between NO2 and H2SO4. The second product may form when SO3 is involved. Estimates based on these reactions suggest that the maximum quantity of NO that might be absorbed in stratospheric aerosols could vary from one-third to twice the amount of NO in the surrounding air. If these reactions occur in the stratosphere, then a mechanism exists for removing nitrogen oxides from that region by aerosol particle fallout. This process may typify another natural means that helps cleanse the lower stratosphere of excessive pollutants.
The identification of gaseous sulfur dioxide on Io by Voyager 1 is reported, and preliminary upper limits for other atmospheric gases are presented. Averaged spectra taken by the Voyager IRIS experiment in the range of 1,000 to 1,200/cm are interpreted as containing three fundamental sulfur dioxide bands, with intensities most nearly corresponding to an atmospheric model with a sulfur dioxide abundance of 0.2 cm atm. Upper limits for COS, CS2, SO3, H2S, CO2, O3, N2O, H2O, CH4, NH3 and HC1, not detected in the spectra, were calculated on the basis of the radiative transfer equation for temperatures of 130 and 250 K; a depletion of hydrogen, carbon and nitrogen is noted. It is suggested that a SO2 outgassing from a cooling sulfur extrusion is the major source of the observed atmospheric SO2.
A model for the Venus atmosphere involving photochemistry of oxygen, hydrogen, chlorine and sulfur species is presented. Sulfur reaction schemes and hydrogen and chlorine reaction schemes were included. The impact of sulfur on the oxygen budget and the subsequent production of H2SO4 molecules for the Venus cloud deck were explored. A major new reaction scheme for production of H2SO4 molecules involving sulfur and oxygen chemistry was established shown to dominate over the odd hydrogen scheme proposed earlier. The efficiency of the scheme in formation of H2SO4 is only about 50%, with the remaining sulfur residing in SO2 molecules. The calculated downward flux of H2SO4 may be sufficient to maintain a steady state sulfuric acid cloud if the resident time of H2SO4 droplets in the cloud is as long as a few years. If however, the resident time is half a year or shorter, additional chemistry capable of more efficient conversion of SO2 to SO3 is required.
The effect of SO3 pressure in the gas phase on the Na2SO4 induced hot corrosion of Co-Cr, Ni-Cr, and Co-Cr-Al alloys was studied in the temperature range 700 to 750 C. The degradation of the Co-Cr and Ni-Cr alloys was found to be associated with the formation of liquid mixed sulfates (CoSO4-Na2SO4 or NiSO4-Na2SO4) which provided a selective dissolution of the Co or Ni and a subsequent sulfidation oxidation mode of attack which prevented the maintenance of a protective Cr2O3 film. A clear mechanism was not developed for the degradation of Co-Cr-Al alloys. A pitting corrosion morphology was induced by a number of different mechanisms.
The photochemical and transport processes that occur in the Venusian atmosphere in and above the upper cloud region are characterized with attention to the correlation with the Pioneer Venus spectrometer results for the cloud top SO2 distribution. The model uses upward-flowing SO2 and H2O to replace the sulfur and hydrogen lost through the lower boundary by the settling of sulfuric acid aerosols. Oxygen for the oxidation of SO2 to SO3 prior to hydration to H2SO4 is supplied by the photolysis of CO2. A model with SO2 as the major sulfur-bearing gas is consistent with the Pioneer data.
The sulfur bearing molecules of most interest in studies of planetary atmospheres are the simple, stable hydrides and oxides, H2S, H2SO4, SO2, and SO3, and the carbon containing species OCS and CO2. For interpreting spectroscopic observations, the properties that must be known are: transition frequencies, transition intensities, transition assignments in terms of quantum number assignments and lower state energy levels, and pressure broadening constants (including their temperature dependence).