Chemical Kinetic Data Sheets for High-Temperature Chemical Reactions

Abstract

A new program for the compilation and evaluation of chemical kinetic data is described. Rate coefficient measurements are assessed for probable accuracy and precision. Transition-state theory is often used to extrapolate measurements to higher temperatures. For every reaction reviewed, a recommended rate coefficient is given in the form k = ATn X exp( -B /T}. Pertinent data and conclusions are summarized on a two-page Data Sheet, each sheet covering one reaction or occasionally two or three closely related reactions. Twenty-seven Data Sheets are presented for reactions important in modeling and understanding chemical lasers, hydrogen-oxygen combustion, hydrocarbon oxidation, and aluminum or boron propellant systems.

The limitations on organic detection in Mars-like soils by thermal volatilization–gas chromatography–MS and their implications for the Viking results

“…The iron content in the soil of Mars was determined by x-ray fluorescence spectroscopy, and based on this it was inferred that Fe 2 O 3 composes Ϸ19% of the soil at both Viking landing sites (25). Our thermodynamic analysis shows that at the Viking temperatures (200-500°C), the reduction of hematite (Fe 2 O 3 ) by hydrogen is thermodynamically favored; however, in the gas phase the dissociation of molecular hydrogen to atomic hydrogen (a necessary step to cause the reaction) is extremely slow at temperatures of Ͻ1,500°C (26). Hematite is known to catalyze its own reduction to wüstite (FeO) via magnetite (Fe 3 O 4 ) in the presence of hydrogen according to the following reactions:…”

The inner wind of IRC+10216 revisited: new exotic chemistry and diagnostic for dust condensation in carbon stars

“…We thus assume rates similar to those of documented reactions using the principle of isovalence as a guideline. Generally, the typical rates of the dominant formation pathways that consists of the reaction of the metal with H 2 have an Arrhenius factor ranging from 10 −12 and 10 −9 cm 3 s −1 , an activation energy barrier of a few 1000 K, and a mild temperature dependance (e..g, Cohen & Westberg 1983).…”

Rovibrational Energy Transitions and Coupled Chemical Reaction Modeling of H+H2and He+H2in DSMC

“…In the QSS period, the number density rate of change of rotational and vibrational states is much smaller than both the sum of all incoming rates and sum of all outgoing rates by nonequilibrium chemical reactions [19]. [10]. In the reaction rate coefficients, the experimental results are available only in the temperature range between 1,000 K and 5,000 K. The figure shows that the chemical reaction rate coefficients by the state-resolved method agree very well with the experimental values.…”

“…By using the state-resolved method, the DSMC calculations including the RVT energy transitions and coupled chemical reactions are carried out in various heat bath conditions. The results of rotational and vibrational temperatures and number densities obtained from the DSMC calculations are compared with the results of the master equation calculations and shock tube experimental data [9,10]. In bound-free transitions, the parameters of the existing chemical reaction models [2,[11][12][13] of the DSMC are proposed through the calibrations in the nonequilibrium heat bath conditions.…”