7.1 Why do I also need thermochemical data-files, is ChemApp itself not enough?
ma 星期一, 04/22/2013 - 16:22 发布
To determine a chemical equilibrium, you need two things:
- A program which performs the necessary calculations (see section 6.1), which is what ChemApp does
- a data-file (also referred to as a ChemSage data-file) which contains the thermochemical data of all the phases and species in the chemical system you are investigating. ChemApp reads a thermochemical data-file at run-time of your application program by calling the appropriate subroutine.