Database on the RAtes of CHEmical and THErmonuclear Reactions.
Cite as: Belov A.A., Kalitkin N.N. RaCheTheR database on the Rates of Chemical and Thermonuclear Reactions. Keldysh Institute of Applied Mathematics RAS, Lomonosov Moscow State University, Moscow.
The chemical part of the database is organized as follows. Each folder corresponds to a particular reaction. It contains a file with recommended coefficients of the Arrhenius law along with their standard deviations.
If any direct measurements of rate constants are available, they are given in separate files with references to corresponding publications. For each experimental work, revised estimations for systematic and total error are provided.
If there are no directly measured data, the approximations are constructed from known formulae via the virtual experiment method. In this case, corresponding references are provided in the primary file of the reaction.
Supplementary graphical material includes comparison of the Arrhenius factor (for exothermic reactions) or effective activation energy (for endothermic reactions). The proposed value is plotted as a solid line and literature values are given with markers (their abscissas are reference numbers in the alphabetical order). The black error bars denote the original error estimations and the red ones are the revised total errors.
If direct experimental data are available, they are plotted in 1/T-lg K coordinates along with the proposed approximation (solid line).
Error bars in all plots correspond to 1 standard deviation.
The two-particle reaction rates are in cm3/(mol s) and three-partilce ones are in cm6/(mol2 s), the temperature is in eV.
The thermonuclear part of the database includes the 4 major reactions accounted for in the controlled fusion investigations. Since the direct experimental data are thoroughly collected in the EXFOR database [1], only approximations are given here. For each reaction, the following data are presented:
(a) Recommended S-factor table and supplementary plot;
(b) Plot of the error estimation for the S-factor table;
(c) Recommended reaction rate table and supplementary plot;
(d) Plot of the error estimation for the reaction rate table;
(e) Fourier coefficients of the reaction rate table (see formula (19) of ref. [2]).
The error estimations are obtained by the virtual experiment method.
The S-factors are in mbn eV, the reaction rates are in cm3/s, the energy and temperature are in eV.
[1] NEA Data Bank – Nuclear Data Services. http://www.oecd-nea.org/janisweb/search/exfor
[2] Belov A.A., Kalitkin N.N. // Comp. Math. and Math. Phys. 57:11 (2017), 1741–1750. DOI: 10.1134/S0965542517110033