EChem++--an object-oriented problem solving environment for electrochemistry. 2. The kinetic facilities of Ecco--a compiler for (electro-)chemistry.
We describe a modeling software component Ecco, implemented in the C++ programming language. It assists in the formulation of physicochemical systems including, in particular, electrochemical processes within general geometries. Ecco's kinetic part then translates any user defined reaction mechanism into an object-oriented representation and generates the according mathematical model equations. The input language, its grammar, the object-oriented design of Ecco, based on design patterns, and its integration into the open source software project EChem++ are discussed. Application Strategies are given.
Ludwig
Kai
K
Institut für Organische Chemie, Universität Tübingen, Auf der Morgenstelle 18, D-72076 Tübingen, Germany.
Speiser
Bernd
B