ChemApp opens up new horizons for the use of thermochemical calculations across a wide spectrum of applications. It offers you great flexibility to design and implement FactSage calculation techniques in whichever way YOU want and is therefore the perfect tool to include robust thermodynamics in process simulation software or Integrated Computational Materials Engineering (ICME) approaches.
ChemApp provides the powerful calculation capabilities of FactSage in the form of a programmer’s library. It consists of a rich set of subroutines which provides all the necessary tools for the calculation of complex multicomponent, multiphase chemical equilibria and the determination of the associated energy balances.
Figure: Schematic representation showing the integration of ChemApp into process modelling or simulation programs.
This website provides more information on ChemApp features and applications. There is also an online version of the programmer’s manual, with complete references to all ChemApp subroutines with dozens of code examples in both FORTRAN and C, plus several worked examples which help you get an idea of how to start coding your own application programs using ChemApp.
ChemApp light is a free version of ChemApp, and although it is restricted in two ways compared to the full version, it gives you almost the same functionality. It comes with full documentation (in HTML form), several example thermochemical data-files, and dozens of code examples in both FORTRAN and C.
References
[Eri97] G.Eriksson, K.Hack, S. Petersen.
ChemApp – A programmable thermodynamic calculation interface,
in Werkstoffwoche ’96, Symposium 8 Simulation, Modellierung, Informationssysteme, pr. 47/1997, ISBN 3-88355-236-4,
published by DGM Informationsgesellschaft mbH, Hamburger Allee 26, D-60486 Frankfurt, Germany
[Pet07] S. Petersen, K.Hack.
The thermochemistry library ChemApp and its applications
Int. J. Mat. Res. (formerly Z. Metallkd.) 98 (2007) 10, page 935-945;
Carl Hanser Verlag GmbH & Co. Kg, ISSN 1862-5282