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Modified model for vibration-dissociation relaxation coupling phenomena in nonequilibrium high temperature gas flow, discussing parameter U variation with kinetic temperature
Dissociation energy and long range potential of diatomic gas molecules from vibrational spacings of higher levels
Simultaneous time courses for O2 and CO2 exchange along the capillary have been calculated for homogeneous lungs, allowing for O2-CO2 interactions, dissolved O2, and chemical reaction rates. As diffusing capacity (Dl) was reduced, the transfer of CO2 and O2 was impaired by similar amounts, in spite of the 20-fold greater diffusing capacity for CO2. The reason why CO2 is affected so much is that the slope of the content against partial pressure is so much greater in blood than tissue for this gas. Because of the shapes of their respective dissociation curves, O2 transfer was most affected at normal ventilation-perfusion ratios, whereas CO2 was most affected at high ratios. Exercise exaggerated the impairment of transfer of both gases.
Results of a study of the electron-impact excitation of the b 1 pi u state of N2, one of the singlet states thought to be excited by precipitating electrons in the auroral zones, and of its predissociation and radiative relaxation through the emission of the Birge-Hopfield band system (b 1 pi u - X 1 Sigma g +) are presented. A collimated electron beam was passed through N2 gas producing a variety of atomic states through dissociative excitation, and the radiation resulting from relaxation of these states was observed by VUV and visible-IR monochromators. Absolute emission cross sections for 11 Birge-Hopfield bands are obtained for energies from threshold to 500 eV, and used to calculate the absolute transition probabilities for BH(1, v-prime) bands and the variation of the electric dipole moment with internuclear distance. With the exception of the v-prime equals 1, 5 and 6 vibrational levels, all b 1 pi u levels are found to predissociate with a specific predissociation branching ratio greater than 0.99, representing a major source of nitrogen atoms.
An interpretation is given for the relatively flat distribution of atomic hydrogen as a function of radius within the visible disks of spiral galaxies and the existence of a correlation between H I surface density and morphological class of spiral galaxy. The H I is mostly contained in constant column density envelopes of molecular clouds. The clouds have a two-dimensional filling factor of unity when a galaxy is viewed face on. The column density of the cloud envelopes depends on the ratio of flux of H2 dissociating radiation in the ambient medium to envelope gas density. The flat H I profiles imply the gas density and pressure follow the ultraviolet ambient flux on kiloparsec scales throughout a given galaxy. Later-type galaxies have larger ultraviolet surface brightnesses, as deduced from the H-alpha surface brightnesses. Therefore, thicker protective H I envelopes develop in late-type spirals.
Antireflection films deposited on silicon solar cells at high production rates with microwave-enhanced plasma deposition. Microwave energy at frequency of 2.45 GHz generates plasma in mixture of gases, from which thin film of silicon nitride deposits on silicon substrates. Reaction temperature relatively low (only 250 degrees C), and film deposition rate more than 500 Angstrom/minute - 2 to 5 times faster. Quality of antireflection film similar to that produced by chemical-vapor deposition. Uses less power and consumes smaller quantities of gas. Species formed in plasma longer lived and dissociate reactants in region of chamber well away from plasma-generation region.
Distances to diffuse interstellar clouds were determined from the amount of ultraviolet radiation that penetrates into the cloud and that arises from a nearby B star. The environment around 67 Ophiuchi, 20 Aquilae, kappa Aquilae, and 9 Cephei were studied. The intensities at 60 and 100 micron, as measured by IRAS, were used to derive dust temperatures for the clouds. Enhanced dust temperatures would indicate an influence of the star's radiation field on a cloud. Observation of molecular absorption were compared to the results of simplified chemical models in order to search for enhanced photodissociation that is caused by the star. Enhanced dust temperatures were observed for clouds in the vicinities of 20 Aql, kappa Agl, and 9 Cep. The range of the star's influence was found to be typically 1-5 pc. On the other hand, chemical analyses of the molecular data, which pertain to foreground gas, did not reveal the presence of enhanced dissociative flux from the sample of stars. Thus, upper limits were derived for the distances from the sun to the foreground material.
Zero-dimensional kinetic modeling of atmospheric pressure Ar–N 2 –H 2 nonthermal plasma was carried out to gain mechanistic insights into plasma-assisted catalytic synthesis of ammonia. Ar dilution is a common technique for tailoring plasma discharge properties and has been shown to enhance NH 3 formation when added to N 2 –H 2 plasma. The kinetic model was developed for a coaxial dielectric barrier discharge quartz wool-packed bed reactor operating at near room temperature using a kHz-frequency plasma source. With 30% Ar mixed in a 1:1 N 2 –H 2 plasma at 760 Torr, we find that NH 3 production is dominated by Eley–Rideal (E-R) surface reactions, which heavily involve surface NH x species derived from N and H radicals in the gas phase, while the influence of excited N 2 molecules is negligible. This is contrary to the commonly proposed mechanism that excited N 2 molecules created by Penning excitation of N 2 by Ar(4s) and Ar(4p) play a significant role in assisting NH 3 formation. Our model shows that the enhanced NH 3 formation upon Ar dilution is unlikely due to the interactions between Ar and H species, as excited Ar atoms have a weak effect on H radical formation through H 2 dissociation compared to electrons. We find that excited Ar atoms contribute to 28% of the N radical production in the gas phase via N 2 dissociation, while the rest are dominated by electron-impact dissociation. Furthermore, Ar species play a negligible role in the product NH 3 dissociation. N 2 conversion sensitivity analyses were carried out for electron number density (ne) and reduced electric field (E/N), and contributions from Ar to gas-phase N radical production were quantified. Finally, the model can provide guidance on potential reasons for observing enhanced NH 3 formation upon Ar dilution in N 2 –H 2 plasma beyond changes in the discharge characteristics.
The gas phase heats of formation of ground-state MCO 3 , M(HCO 3 ) 2 , and M(HCO 3 )(OH), where M = Mn, Co, Ni, Cu, and Zn, have been predicted using the correlated molecular orbital theory at the CCSD(T) level extrapolated to the complete basis set limit using the Feller–Peterson–Dixon (FPD) approach. Cohesive energies of the carbonates were predicted based on the calculated gas phase and experimental solid heats of formation. Coulombic dissociation energies (CDEs) between metal cations and anions show a near-linear correlation with Shannon metal cation atomic radii, yet no correlation is found with the hardness of these cations. The total reaction dissociation energies (TRDEs) of transition metals are higher than their CDEs for the di-bicarbonates, in contrast to those for Mg and Ca based on our prior work. In addition to differences in the energies needed to prepare the transition metal dications, electron donation from the ligands to the 3d orbitals of open-shell transition metal dications from lone pairs of adjacent O atoms also plays a role. No electron donation from the ligands to the fully occupied 3d orbitals of Zn and Cd was found. Decomposition energies for generating MO, CO 2 , and/or H 2 O were calculated. Gas phase metal exchange energies only partially correlate with the electrochemical series for M(s) → M 2+( aq). The FPD heats of formation were used to benchmark a range of density functional theory exchange–correlation functionals, including those commonly used in solid-state mineral calculations. None of the functionals provided chemical accuracy agreement (±1 kcal/mol) with the FPD results. So, the best agreement with the FPD results is predicted for the $\tau$-HCTH functional with an average unsigned error of 8.3 kcal/mol.
The next generation of nuclear reactors for both power production and space nuclear propulsion require fuel that is more durable, thermally stable, and more thermally conductive to support rapid heat transfer. High temperature gas reactors (HTGR), advanced gas reactors (AGR), and space-based nuclear thermal propulsion (NTP) are advanced reactor concepts that require a fuel type that can withstand high temperatures (1000-2900K) and flow of corrosive gas coolants such as helium, hydrogen, and carbon dioxide. One fuel with the potential to meet these demanding requirements is uranium-zirconium-carbonitride (UZrCN). UZrCN has many favorable fuel qualities compared to other eligible fuel forms such as uranium dioxide (UO2) and uranium mononitride (UN) that could support the aforementioned reactor concepts. UZrCN has an exceptionally high operating temperature and thermal conductivity which are highly desirable to improve reactor economics and safety. It far exceeds the properties of UO2 which is the most common fuel form in the United States. UZrCN also surpasses UN in terms of thermal conductivity and operating temperature by eliminating the dissociation problem UN has at 1700K. UZrCN could improve gas reactor performance and enable NTP technologies; however, it is an under-researched fuel that lacks rigorous scientific study. In recent efforts by the Idaho National Laboratory, a variety of novel methods to produce this fuel composition have been explored. One such method is via arc melting of uranium, zirconium, and carbon under a nitrogen atmosphere. Alloy fabrication using arc melting has been utilized for close to 150 years now and is well-understood as a method for rapid alloy prototyping. This process will be used to perform in-situ nitriding to form UZrCN.
The next generation of nuclear reactors for both power production and space nuclear propulsion require fuel that is more durable, thermally stable, and more thermally conductive to support rapid heat transfer. High temperature gas reactors (HTGR), advanced gas reactors (AGR), and space-based nuclear thermal propulsion (NTP) are advanced reactor concepts that require a fuel type that can withstand high temperatures (1000-2900K) and flow of corrosive gas coolants such as helium, hydrogen, and carbon dioxide. One fuel with the potential to meet these demanding requirements is uranium-zirconium-carbonitride (UZrCN). UZrCN has many favorable fuel qualities compared to other eligible fuel forms such as uranium dioxide (UO2) and uranium mononitride (UN) that could support the aforementioned reactor concepts. UZrCN has an exceptionally high operating temperature and thermal conductivity which are highly desirable to improve reactor economics and safety. It far exceeds the properties of UO2 which is the most common fuel form in the United States. UZrCN also surpasses UN in terms of thermal conductivity and operating temperature by eliminating the dissociation problem UN has at 1700K. UZrCN could improve gas reactor performance and enable NTP technologies; however, it is an under-researched fuel that lacks rigorous scientific study. In recent efforts by the Idaho National Laboratory, a variety of novel methods to produce this fuel composition have been explored. One such method is via arc melting of uranium, zirconium, and carbon under a nitrogen atmosphere. Alloy fabrication using arc melting has been utilized for close to 150 years now and is well-understood as a method for rapid alloy prototyping. This process will be used to perform in-situ nitriding to form UZrCN.
The next generation of nuclear reactors for both power production and space nuclear propulsion require fuel that is more durable, thermally stable, and more thermally conductive to support rapid heat transfer. High temperature gas reactors (HTGR), advanced gas reactors (AGR), and space-based nuclear thermal propulsion (NTP) are advanced reactor concepts that require a fuel type that can withstand high temperatures (1000-2900K) and flow of corrosive gas coolants such as helium, hydrogen, and carbon dioxide. One fuel with the potential to meet these demanding requirements is uranium-zirconium-carbonitride (UZrCN). UZrCN has many favorable fuel qualities compared to other eligible fuel forms such as uranium dioxide (UO 2 ) and uranium mononitride (UN) that could support the aforementioned reactor concepts. UZrCN has an exceptionally high operating temperature and thermal conductivity which are highly desirable to improve reactor economics and safety. It far exceeds the properties of UO 2 which is the most common fuel form in the United States. UZrCN also surpasses UN in terms of thermal conductivity and operating temperature by eliminating the dissociation problem UN has at 1700K. UZrCN could improve gas reactor performance and enable NTP technologies; however, it is an under-researched fuel that lacks rigorous scientific study. In recent efforts by the Idaho National Laboratory, a variety of novel methods to produce this fuel composition have been explored. One such method is via arc melting of uranium, zirconium, and carbon under a nitrogen atmosphere. Alloy fabrication using arc melting has been utilized for close to 150 years now and is well-understood as a method for rapid alloy prototyping. This process will be used to perform in-situ nitriding to form UZrCN.
Ion and radical formation in comets are thought to occur primarily by photodissociation of gas phase molecules. Experimental evidence and theoretical calculations are presented that show that some of the radical and ions can come directly from ice grains. The experimental evidence suggest that if the frozen molecules on the surface of grains undergo direct dissociation then they may be able to release radicals directly in the gas phase. If the molecules undergo predissociation it is unlikely that they will release radicals in the gas phase since they should be quenched. Calculations of this direct photodissociation mechanism further indicate that even if the parent molecule undergoes direct dissociation, the yield will not be high enough to explain the rays structure in comets unless the radicals are stored in the grains and then released when the grain evaporates. Calculations were also performed to determine the maximum number of ions that can be stored in an icy grain's radius. This number is compared with the ratio of the ion to neutral molecular density. The comparison suggests that some of the ions observed near the nucleus of the comet could have originally been present in the cometary nucleus. It is also pointed out that the presence of these ions in icy grains could lead to radical formation via electron recombination. Finally, an avalanche process was evaluated as another means of producing ions in comets.
It is proposed that a salt-saturated, water-based mud might improve borehole stability for UT-GOM2-2 relative to a fresh-water-based mud. However, the primary objective for UT-GOM2-2 is to safely and successfully acquire uncompromised hydrate-bearing sediment cores. This can only be done if conditions stay within the hydrate stability zone, and well away from the hydrate stability boundary. The addition of salt to the drilling mud, shifts the hydrate stability boundary closer to estimated conditions. This shift, by some estimates of pressure and temperature, where conditions now fall outside of the hydrate stability zone, may result in borehole enlargement and the release of free gas into the borehole. This shift by all estimates, even when coring conditions stay inside the hydrate stability zone, shrinks the window between the estimated conditions and the hydrate stability boundary. This shift is likely to compromise the hydrate-bearing cores while they are being recovered from the bottom-hole to the rig floor. In this report we present two examples: 1) Assuming temperature and pressure from in-situ estimates: Hydrate within the target reservoirs (Orange and Blue) at Walker Ridge Block 313 (WR 313) will be outside the hydrate stability zone in the presence of a drilling mud with 9.5 wt.% salinity (the salinity of the proposed 10.5 ppg salt-based mud) at in situ pressure and temperature. Thus, the hydrate will be unstable. A 10.5 ppg salt-based mud may result in dissociation of the hydrate into its components: water and gas. 10.5 ppg salt-based mud may enlarge the borehole, release free gas into the borehole, and compromise the cores. 2) Assuming temperatures equal to the measured LWD borehole temperatures at this location: Hydrate within the target reservoirs will be stable with a salinity of 9.5 wt.% (the salinity of the proposed 10.5 ppg salt-based mud), but possibly unstable (just at the methane hydrate stability boundary) for a salinity of 17.2 wt.% (the salinity of the proposed 13.5 ppg salt-based kill mud). if the borehole has the same temperature as recorded during previous LWD drilling at this location. A 13.5 ppg salt-based kill mud may destabilize the borehole. More importantly, a 10.5 ppg salt-based mud does not provide a large enough window between the estimated conditions and the hydrate stability boundary. Core temperatures and pressures fluctuate from the bottom-hole conditions as the core is brought up from the bottom-hole to the rig floor. These fluctuations are likely to cause the hydrate in the cores to touch or cross the stability boundary. Therefore, cores captured using a 10.5 ppg salt-based mud are likely to be compromised during core recovery to the rig floor.
In the present work, complete flow fields around generic space vehicles in supersonic and hypersonic flight regimes are studied numerically. Numerical simulation is performed with a flux-split, time asymptotic viscous flow solver that incorporates a generalized equilibrium chemistry model. Solutions to generic problems at various altitude and flight conditions show the complexity of the flow, the equilibrium chemical dissociation and its effect on the overall flow field. Viscous ideal gas solutions are compared against equilibrium gas solutions to illustrate the effect of equilibrium chemistry. Improved solution accuracy is achieved through adaptive grid refinement.
The effect of vibrational excitation and dissociation at high temperatures on the trim angle of attack of a blunt lifting body is calculated for a nonequilibrium flow regime in air using a CFD technique. The vibrational-electronic temperature and the species densities are calculated assuming the flow to be in a nonequilibrium state. The forebody flow of a two-dimensional blunt body of the shape of the Apollo Command Module at a finite angle of attack is calculated. The results show that the pitching moment around a reference point is larger and the trim angle of attack is smaller for a reacting gas than for a perfect gas. The calculated shift in the trim angle due to the real-gas effect is of the same order as that seen during the Apollo flights.
A new and sustainable liquid organic hydrogen carrier, Lignin Jet Fuel-based Liquid Organic Hydrogen Carrier (LJF-HyC), has been discovered. This innovative LOHC is created from Lignin Jet Fuel (LJF) through dehydrogenation reactions. The process was carried out in situ using platinum nanoparticles supported on zeolite, resulting in a significant increase in aromatic carbon content. This increase indicates the successful formation of aromatic rings via C–H dissociation. In-situ Nuclear Magnetic Resonance (NMR) and gas chromatographic analyses revealed the formation of unsaturated and partially unsaturated compounds, including alkylbenzenes, tetralins, naphthalenes with double bond equivalence of 4–8, from six apparent reaction pathways, four of which can be major. The original LJF, consisting primarily of mono-, di-, and tricyclohexylalkanes (96 wt%), was converted to dehydrogenated products, constituting approximately 18.5 wt% of the LJF composition. These findings pave the way for developing sustainable hydrogen carriers derived from sustainable aviation fuels.
It is shown that chlorine (Cl2) and iodine (I2) are suitable model diatomic gases to use in theoretical studies of chemical nonequilibrium that account for rotational and vibrational as well as electronic processes in a gas. Because of the low temperature at which significant dissociation can be achieved in iodine, it is a particularly attractive candidate for the study of relatively low temperature chemically reacting flows, permitting detailed knowledge of the nonequilibrium populations of translational, rotational, vibrational and electronic energy levels. A preliminary investigation indicates that a useful iodine flow facility can be constructed and that diagnostic techniques are available to validate in detail prediction techniques for nonequilibrium flows.