Calculation of ion-molecule reaction rate constants from ion cyclotron resonance spectra - Methyl fluoride
Methyl fluoride calculated for ion-molecule reaction rate constants from ion cyclotron resonance spectra
Buttrill, S. E., Jr.↗
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Results for “Reaction Rates”
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Reaction rate measurements of O/P3/ atoms by resonance fluorescence. I, II
Photodissociation produced O/P3/ atoms detection and reaction rate measurements by resonance fluorescence scattering
Black, G.↗
Concurrent measurement of strain and chemical reaction rates in a calcite grain pack undergoing pressure solution: Evidence for surface-reaction controlled dissolution
Pressure solution is inferred to be a significant contributor to sediment compaction and lithification, especially in carbonate sediments. For a sediment deforming primarily by pressure solution, the compaction rate should be directly related to the rate of calcite dissolution, transport along grain contacts, and calcite reprecipitation. Previous experimental work has shown that there is evidence that deformation in wet calcite grain packs is consistent with control by pressure solution, but considerable ambiguity remains regarding the rate limiting mechanism. We present the results of laboratory compaction experiments designed to directly measure calcite dissolution and precipitation rates (recrystallization rates) concurrently with strain rate to test whether measured rates are consistent with predicted rates both in absolute magnitude and time evolution. Recrystallization rates are measured using trace element chemistry (Sr/Ca, Mg/Ca) and isotopes (87Sr/86Sr) of fluids flowing slowly through a compacting grain pack as it is being triaxially compressed. Imaging techniques are used to characterize the grain contacts and strain effects in the post-experiment grain pack. Our data show that calcite recrystallization rates calculated from all three geochemical parameters are in approximate agreement and that the rates closely track strain rate. The geochemically inferred rates are close to predicted rates in absolute magnitude. Uncertainty in grain contact dimensions makes distinguishing between surface reaction control and diffusion control difficult. Measured reaction rates decrease faster than predicted from standard pressure solution creep flow laws. This inconsistency may indicate that calcite dissolution rates at grain contacts are more complex, and more time-dependent, than suggested by geometric models designed to predict grain contact stresses.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A Review of the Thermodynamic, Transport, and Chemical Reaction Rate Properties of High-temperature Air
Thermodynamic and transport properties of high temperature air, and the reaction rates for the important chemical processes which occur in air, are reviewed. Semiempirical, analytic expressions are presented for thermodynamic and transport properties of air. Examples are given illustrating the use of these properties to evaluate (1) equilibrium conditions following shock waves, (2) stagnation region heat flux to a blunt high-speed body, and (3) some chemical relaxation lengths in stagnation region flow.
Hansen, C Frederick↗
Gas phase reaction rates of some positive ions with water at 296 K
Measuring rate constants for reactions of various gas phases with water by flowing afterglow technique
Howard, C. J.↗
Quantifying SEI Reaction Rate in the Presence and Absence of Mn 2+
In this work, a methodology utilizing potentiostatic holds is developed for measuring side-reaction rates at graphite (Gr) electrodes. The influence of Mn 2+ on parasitic reactions is evaluated in the presence of various preformed solid-electrolyte interphases (SEI). Gr SEI preformation was carried out using vinylene carbonate (VC) or lithium difluoro(oxalato)borate (LiDFOB) as an additive. In addition, a highly fluorinated electrolyte, free of traditional non-fluorinated organic carbonates, was used. Parasitic current increases were observed for all preformed Gr SEIs when Mn 2+ was present. Of the preforming electrolytes, the VC-derived SEI showed the lowest parasitic currents both with and without Mn 2+ .
Tornheim, Adam [Argonne National Laboratory (ANL),↗
A machine learning based approach to reaction rate estimation
Development of a machine learning algorithm for automatically training subgraph isomorphic decision trees (SIDT) to predict reaction rate coefficients.
Chemistry↗
Measurements of the O+ plus N2 and O+ plus O2 reaction rates from 300 to 900 K
Rate coefficients for the O(+) + N2 atom transfer and O(+) + O2 charge transfer reactions are determined at thermal energies between 300 K and 900 K difference in a heated drift tube mass spectrometer apparatus. At 300 K the values K(O(+) + N2) = (1.2 plus or minus 0.1) x 10 to the negative 12 power cubic cm/sec and k(O(+) + O2) = (2.1 plus or minus 0.2) x 10 to the negative 11 power cubic cm/sec were obtained, with a 50% difference decrease in the reaction rates upon heating to 700 K. These results are in good agreement with heated flowing afterglow results, but the O(+) + O2 thermal rate coefficients are systematically lower than equivalent Maxwellian rates inferred by conversion of nonthermal drift tube and flow drift data.
Chen, A.↗
Ionospheric reaction rates in the light of recent measurements in the ionosphere and the laboratory, II
Consistency of laboratory measurements of ion-molecule reaction rates and recombination coefficients with mass spectrometric data on ionospheric ion density
ION-ATOM INTERACTION↗
Impact of the Latest 22 Ne+ α Reaction Rates on Nucleosynthesis in Massive Stars and Galactic Chemical Evolution
In massive stars (initial mass of ≳9 M ⊙ ), the weak s- (slow neutron capture) process produces elements between Fe and Zr, enriching the Galaxy with these elements through core-collapse supernova explosions. The weak s-process nucleosynthesis is driven by neutrons produced in the 22 Ne(α, n) 25 Mg reaction during convective He core and C shell burning. The yields of heavy elements thus depend on the 22 Ne(α, n) 25 Mg and the competitive 22 Ne(α, γ) 26 Mg reaction rates, which are dominated by several narrow-resonance reactions. While the accuracy of these rates has been under debate for decades, recent experimental efforts, including ours, drastically reduced these uncertainties. In this work, we use a set of 280 massive star nucleosynthesis models calculated using different 22 Ne(α, n) 25 Mg and 22 Ne(α, γ) 26 Mg rates and a galactic chemical evolution (GCE) study to probe their impact on the weak s-process elemental abundances in the Galaxy. The GCE was computed with the OMEGA+ code, using the new sets of stellar yields with different 22 Ne+α rates. From GCE, we find that these rates are causing up to 0.45 dex of variations in the [Cu/Fe], [Ga/Fe], and [Ge/Fe] ratios predicted at solar metallicity. The greatest impact on the stellar nucleosynthesis and GCE results derives from uncertainties in the (α, n) strength (ωγ (α,n) ) of the E x = 11.32 MeV resonance. We show that variations observed in the GCE calculations for weak s-process elements become negligibly smaller than dispersions found in observations once the ωγ (α,n) is accurately determined within the uncertainty of 10%–20% (typically reported experimental errors for the resonance) in future nuclear physics experiments.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
A simple three-component mixing problem for the evaluation of a new reaction rate model
A simple computational mixing problem is presented which can be utilized to assess the behavior of Reynolds-averaged reaction rate models in a problem with temporally varying mixedness. In this problem, three mixing components are homogeneously distributed but initially separated in a triply periodic domain. Further, these components are initialized within a Taylor–Green-like velocity field, which creates a mixing history evolving from the so-called “no-mix limit” to a well-mixed state. Large-eddy simulation results from this problem in configurations involving both premixed and nonpremixed reactants are then compared with zero-dimensional Reynolds-averaged Navier–Stokes results utilizing a new model for multicomponent reacting mixtures. The new model is shown to appropriately respect the no-mix limit and outperforms an earlier model (Morgan, 2022), particularly at early times when components are near the no-mix limit.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
A review of reaction rates and thermodynamic and transport properties for the 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K
Reaction rate coefficients and thermodynamic and transport properties are provided for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in such environments.
Gupta, Roop N.↗
A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K
Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.
Gupta, Roop N.↗
Reaction rates for O3 + HCl yielding O + O2 + HCl, Cl + O3 yielding ClO + O2, and HCl + O yielding OH + Cl at elevated temperatures
Ozone and a much greater quantity of hydrogen chloride, slightly diluted by oxygen and argon, were heated by a shock wave process to temperatures in the range 480-1300 K at pressures from four to eight atmospheres. From variations in ozone concentration, determined by the attentuation of 2537-A radiation, the rate coefficient for the reaction O3 + HCl yielding O + O2 + HCl was determined to be k1 = (4.0 plus or minus 1.5) x 10 to the minus 10 exp(-10,408/T)cm3/s for temperatures of 480-720 K. From the concentration of ClO remaining at the end of ozone decomposition the rate coefficients for the reactions Cl + O3 yielding ClO + O2 and HCl + O yielding OH + Cl were also deduced for a temperature of about 1100 K.
Park, C.↗
A survey of the reaction rate constants for the thermal dissociation and recombination of nitrogen and oxygen
The objective of the present report is to survey the various values of forward and backward reaction rate constants used by investigators in the field of high-temperature (T greater than 2000 K) gas reactions involving nitrogen and oxygen only. The objective is to find those values that correlate well so that they can be used for the studies of hypersonic flow and supersonic combustion with reasonable confidence. Relatively good agreement among these various values is observed for temperatures lower than 10,000 K.
Marraffa, Lionel↗
Reaction rates of graphite with ozone measured by etch decoration
Etch-decoration technique of detecting vacancies in graphite has been used to determine the reaction rates of graphite with ozone in the directions parallel and perpendicular to the layer planes. It consists essentially of peeling single atom layers off graphite crystals without affecting the remainder of the crystal.
Hennig, G. R.↗
FSEN Reaction Rate Calculations in MCNP [Slides]
FSEN provides an opportunity to quickly calculate sensitivities to orthogonal measurements during integral experiments. Toy problem has been deployed to expand on verification of FSEN for reaction rate ratios. While there is decent agreement, further investigation must be done on multiplication’s impact on sensitivity vector.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
The effects of vacuum polarization on thermonuclear reaction rates
Added to the pure Coulomb potential, the contribution from vacuum polarization increases the barrier, reducing the wave function (u) for reacting nuclei within the range of nuclear forces. The cross section and reaction rate are then reduced accordingly by a factor proportional to u squared. The effect is treated by evaluating the vacuum polarization potential as a small correction to the Coulomb term, then computing u in a WKB formulation. The calculation is done analytically employing the small r power-series expansion for the Uehling potential to express the final result in terms of convenient parameters. At a temperature of 1.4 x 10 to the 7th K the (negative) correction is 1.3 percent for the fundamental fusion process p + p yields d + e(+) + nu.
Gould, Robert J.↗