Stephan Petersen, Klaus Hack
ChemApp is a thermochemical software library that facilitates thermochemical calculations over diverse applications by offering a user-friendly programmable interface to complex equilibrium calculation techniques for multicomponent, multiphase chemical systems. This paper describes ChemApp and presents an overview of selected application examples, encompassing various fields such as metallurgy, gas phase and aqueous chemistry, combustion technology, corrosion, and geochemistry. Derived from the original software code SOLGASMIX, developed during Gunnar Eriksson’s tenure at RWTH Aachen University, ChemApp evolved from ChemSage into a prominent tool for calculating complex chemical equilibria. The library's design allows for seamless integration into user-developed programs through an application programming interface (API), which addresses user demands for incorporating equilibrium calculation capabilities into their own software. By eliminating the need for initial estimates for phase compositions during the Gibbs energy minimization process, ChemApp enhances its applicability and versatility in computational thermochemistry, making it a valuable resource for scientists and engineers across various disciplines. Extensive use cases illustrate the practical benefits and efficiency of ChemApp in advanced process simulation and thermochemical research.
@article{26155072-75cb-470b-817d-df5f2b935c6d,
title={The thermochemistry library ChemApp and its applications},
author={Stephan Petersen and Klaus Hack},
year={2007},
language={de}
}TY - JOUR TI - The thermochemistry library ChemApp and its applications AU - Stephan Petersen AU - Klaus Hack PY - 2007 LA - de ER -
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