Equation of state of rarefied reacting gases

Calculators of thermodynamic processes and simple gas dynamic flows

Brief description

Features

• Calculation of the equilibrium chemical composition of a gas mixture based on the elements He, Ne, Ar, Kr, Xe, H, C, N, O, Na, Mg, Al, Fe, Si, S in the temperature range 200 - 20,000 K.
• Calculation of a number of thermodynamic parameters: pressure, enthalpy, internal energy, heat capacity, equilibrium and frozen adiabatic exponent.
• Plotting equilibrium and frozen shock adiabats.
• Determination of thermodynamic parameters of combustion at v = const and p = const.
• Determination of parameters of stationary detonation waves.
• The possibility of the formation of condensed phases C, H2O, Na, Na2O, Mg, MgO, Al, Al2O3, S, SiO2, Si, Fe, FeO, Fe2O3, Fe3O4, FeS, FeS2 is taken into account.

Documentation

• Rare gases pdf.
• Dense gases (ru, en).
• Certificates of registration of computer programs:
  • Pruuel E.R., Vasiliev A.A., Kashkarov A.O. Method for calculating equilibrium shock and detonation waves in reacting gases. Certificate of state registration of a computer program No. 2018660109, 2018 pdf .
  • Pruuel E.R. Method for calculating the equilibrium chemical composition and thermodynamic parameters of dense gases. Certificate of state registration of a computer program No. 2019666436, 2019. pdf .
  • Pruuel E.R., Anisichkin V.F. Method for calculating equilibrium shock adiabats in dense gases. Certificate of state registration of a computer program No. 2019666437, 2019. pdf .
• Album of detonation adiabats pdf .

How to link

• Pruuel E.P., Vasilev A.A. Equation of State of Gas Detonation Products. Allowance for the Formation of the Condensed Phase of Carbon // Combustion, Explosion, and Shock Waves. — 2021. — Т. 57, No 5. — С. 1—11. — DOI: 10.1134/S0010508221050075, pdf.
• Прууэл Э. Р., Васильев А.А. Уравнение состояния продуктов газовой детонации. Учет формирования конденсированной фазы углерода // Физика горения и взрыва. - 2021. -т. 57, N 5. С 74-85. — DOI: 10.15372/FGV20210507, pdf.

Useful links

• Ivantermo database http://www.chem.msu.su/rus/handbook/ivtan/welcome.html.
• Thermodynamic properties of individual substances. Edited by V.P. Glushko 3rd edition:
  • Volume 1 (B1, B2) 1978 year. (O, H(D, T), F, Cl, Br, I, He, Ne, Ar, Kr, Xe, Rn, S, N, P);
  • Volume 2 (B1, B2) 1979 year. (C, Si, Ge, Sn, Pb);
  • Volume 3 (B1, B2) 1981 year. (B, Al, Ga, In, Tl, Be, Mg, Ca, Sr, Ba);
  • Volume 4 (B1, B2) 1982 year. (Cr, Mo, W, V, Nb, Ta, Ti, Zr, Hf, Sc, Y, La, Th, U, Pu, Li, Na, K, Rb, Cs);
  • Volumes 5, 6 http://www.chem.msu.su/Zn (Zn, Cu, Fe, Co, Ni, Mn, Cr, V, Ti, Sc).
• National Institute of Standards and Technology (USA) https://webbook.nist.gov/chemistry.
• The chemical thermodynamics of organics compounds. Daniel R. Stull. 1969 year. 807 pages. pdf.
• NASA online CEA. https://cearun.grc.nasa.gov.
• FactSage web. https://www.crct.polymtl.ca/factweb.php.
• Rusbank. Shock wave database. href="http://www.ihed.ras.ru/rusbank.
• Sources of information on the thermodynamic properties of substances on the Internet. G.V. Belov. 2013 г. pdf.
• Thermodynamic databases and software systems for thermodynamic modeling pdf.
• LASL SHOCK HUGONIOT DATA. Stanley P. Marsh. pdf.
• LASL EXPLOSIVE PROPERTY DATA. pdf.
• Pyro help. pdf.
• Detonation properties of condensed explosives computed using the Kihara-Hikitata-Tanaka equation of state. Tanaka. pdf.

• Замалин В. М., Норман Г. Э., Филинов В. С. Метод Монте-Карло в статистической термодинамике — М. : Наука, 1977. pdf.

Collaboration

• with specialists in the field of chemistry to test and check the operation of the complex;
• with specialists in the field of quantum calculations of the energy characteristics of chemical compounds to expand the database;
• with specialists in numerical methods for conducting gas-dynamic calculations of intense flows;
• with IT specialists to develop a python interface and extend functionality.

Authors