About Program
        A package of computer programs "THERMO" was designed for calculating thermodynamic equilibrium in the complicated multicomponent heterophase systems at Institute of Structural Macrokinetics of Russian Academy of Science. The scientists in many countries such as Russia, Poland, Israel, US, Canada, Holland, China and etc. are successfully used this program for the purpose of combustion researches.
        It includes the database of thermodynamic information and the computer program for equilibrium calculations. 
Database of Thermodynamic Properties
        Database of thermodynamic properties of individual compounds for program "THERMO" was designed on the base of date published in well known thermodynamic reference books [1-5]. It contains the traditional set of gaseous compounds and essentially expended one of condensed compounds. Special efforts was applied to accumulation  date for such types of compounds as borides, carbides, silicides, nitrides and complex oxides.
        Now the database contain the  thermodynamic properties for approximately 3000 gaseous and condensed compounds. "THERMO" consist of a special program for addition date for any new compound in database.
        Full list of compounds of "THERMO" database you can find: THERMO DATABASE LIST.

Program Possibilities
        The program "THERMO" is calculated the thermodynamic equilibrium for complicated multicomponent heterophase systems. The results of calculation are the equilibrium product composition (both condensed and gaseous)  and adiabatic temperature.
        The system to be analyzed may contain up to 10 phases of varied composition (ideal mixture of gaseous components, liquid solutions, solid solutions, etc.), which  values of thermodynamic potential a user may preset himself if it's necessary.
        The program may be used for thermodynamic calculations both at V=const and P=const cases (P is the overall pressure of  gaseous components) and also at T=const.
        The systems under investigation may content any amount of gaseous phase or may be  nongaseous too. The last quality differ program "THERMO"  from other analogous programs which as a rule need  to properly work an addition of  investigated system by some amount of gaseous phase.
        In addition program "THERMO" give a possibility to get information about thermodynamic properties of individual chemical compounds which presented in their database.

Calculations Method
        Definition of thermodynamic equilibrium conditions in multicomponent heterogeneous system is based on the procedure of minimization of thermodynamic potential (free energy) of system by taking into account the limitations which connect with the conservation laws of mass of chemical elements .
        The system under study is commonly assumed to be chemically and thermally uniform [6-10], i.e. though the system is heterophase, each particle of any component of the system is accessible for chemical interaction with the particles of the other phases and the temperature is uniform over the entire volume of the system.
        It regards that the equilibrium components composition in the investigated system is defined if all component concentration derivatives of thermodynamic potential are limited by some small value which user can put himself. The calculation procedure consist of a cycle of iterations which continued until the above mentioned criterion will be satisfied.
        The value of adiabatic temperature is finding by solving the energy conservation equation on the base of comparison the values of common initial enthalpy of all reagents of the system at initial temperature (T0) and one of all components of equilibrium composition at adiabatic temperature (Tad.).

Forms of Results Presentation
        Results of calculations which contain an equilibrium components composition, adiabatic temperature and thermal characteristics of the system are input on the screen and can be saved in *.txt files. These files can be printed or treated by special section of program that can a possibility to preview the calculated dependence of results as a graphic. This section of program give a possibility also to transform initial *.txt file to final *.tab (also .txt type) which can be lately used as a source file in any modern graphics software (such as Origin, Microsoft Excel and etc.). 
  1.  Gurvich, L.V., Veitz, I.V., et al. Thermodynamic Properties of Individual Substances. Fourth edition in 5 volumes, Hemisphere Pub Co. NY, L., Vol 1 in 2 parts, 1989, etc.
  2. D.R.Stull e.a., JANAF Thermochemical Tables, 2 ed., Washington: U.S. Goverment Printing Office, 1971.
  3.  JANAF  Thermochemical Tables, Supplement, J. Phys. Chem. Ref. Data, N3, p.311, 1974; N4, p.1,  1975; N7, p.793, 1978; N3, p.695, 1982.
  4.  H.L.Shick, "Thermochemical of certain refractory compounds", V.1-2, New York - London, 1966.
  5.  I.Barin,  O.Knacke, O.Kubaschewski, "Thermochemical properties of inorganic substances", Berlin, 1973.
  6. A.G.Merzhanov, M.M.Kitain, U.I.Goldshleger, A.S.Shteinberg, "Thermodynamic analysis of interaction of ferum oxides with methan-oxygen mixture", DAN USSR, v.237, No.2, p.391, 1977 (in russian).
  7.  A.A. Shiryaev, A.Yu. Tarakanov, and M.D. Nersesyan, Phase equilibrium under the conditions of self-propagating high-temperature synthesis of superconducting ceramics YBa2Ca7O7-x, Superconductivity: Phys., Chem., Eng. (Russ.), 1990, v. 3 (3), p. 498-503.
  8. A.Yu. Tarakanov, A.A. Shiryaev, and V.I. Yukhvid, Phase transformations in highly caloric heterogeneous systems oxide - reductant - nonmetal, Fiz. Gor. Vzryva, 1991, v. 27 (3), p. 68.
  9. A.A. Shiryaev, Particularities of application of thermodynamic analysis to the study of SHS processes,  Inzh.-Fiz. Zhl., 1993, v.65(4), p. 412-418.
  10. Shiryaev A.A., Thermodynamic of SHS: modern approach, Int. J. of SHS, 1995, v. 4, 4, p.351-362.