MSI offers engineering and scientific consulting services related to materials dominated problems for industrial clients and assists large scale research programs world wide. Supported by MSIT.

Tools for the Use of Thermochemical Data

Thermochemical calculations or estimations are made in order to get the equilibrium constants of chemical reactions of interest. For most compounds the thermochemical functions of formation from the elements are known and available in data compilations or textbooks. These data let us know under which conditions of concentration, pressure, and temperature an ensemble of materials is in equilibrium or in which direction a chemical process will proceed.

The procedures to obtain information from data found in literature are simple, but frequently not used since one has forgotten how to do this. However, the mathematical routines are no real problem if they are done by this program. You have only to follow the instructions given on top of each form. If it does not work at once you can correct the input and try it again or consult the help files.

The main task of this program is to read thermochemical data of chemical reactions from data files, to show them and the equilibrium constant as a function of temperature in a table or  as a curve plot in the units and the style you need, and to save new input data in your personal data files. The program may be a helpful assistance for engineers, scientists, or students who hesitate to use the efficient methods of  thermochemistry since they have not enough time to warm up again the knowledge on some simple rules needed to profit by the stock of data available in literature.