Rarefied gases

Equation of state of rarefied reacting gases

Dense gases
Calculators of thermodynamic processes and simple gas dynamic flows
Thermodynamic parameters of individual components
Equilibrium chemical composition at a given temperature and density
Stationary shock waves (Hugoniot conditions)
Stationary detonation waves (Chapman-Jouguet parameters), mixture analysis
Combustion (v=const)
Combustion (p=const)
400 K 3000 K 20000 K
An example of calculating the equilibrium chemical composition of a mixture 2H + O (water) at temperatures of 300, 3 000 and 20 000 K. Density 1.3 kg/m3.
Brief description
Using the methods of statistical physics, a model of thermodynamics of a reacting mixture of rarefied gases and condensed components is realized. To determine the detailed equilibrium chemical composition, the NVT ensemble is considered and the minimum free energy of the mixture of all possible components is numerically found. To determine the enthalpies and free energies of chemical compounds, tabular data are used (V.P. Glushko, Stall D.).
The software package has several levels of use: a web interface (http://ancient.hydro.nsc.ru/chem), which allows for easy online calculations of the thermodynamic parameters of reacting gases and a number of simple gas-dynamic flows; a library in the c ++ programming language for embedding into other applications and a database of thermodynamic characteristics of chemical components.
The resource was developed with the support of the Russian Foundation for Basic Research (RFBR 12-01-00177-a).
The implemented approach is successfully applied to quantitatively predict the energy and mechanical characteristics of intense flows. To determine the fire and explosion hazard of mixtures of combustible gases and gas suspensions. For numerical calculations of gas-dynamic flows with a real equation of state.
How to link
Useful links
Interested in cooperation:
Pruuel Eduard Reinovich (pru@hydro.nsc.ru), Kashkarov Aleksey Olegovich, Bondarenko Tatiana Andreevna.
M.A. Lavrent'ev SB RAS