Design and development of computer-aided chemical systems: representation and balance of inorganic chemical reactions
A model for the tracking of inorganic chemical reactions is proposed. Designed to acquire, process, and solve a great number of inorganic reactions, this model will hopefully contribute to the development of powerful computer-aided chemistry teaching systems for use within or without the environment of a virtual laboratory. Using full representation of an inorganic reaction to allow the extraction of chemical knowledge, incomplete reactions (where species are absent) may be completed by adding the necessary species, and reactions may be solved and balanced. Various types of reaction are classified, and a layer-based model is defined for the solution of different reaction types, establishing the basis for the construction of a system which, based on a wide set of production rules, is capable of solving an incomplete inorganic chemical reaction.
Ruiz
IL
Department of Computing and Numerical Analysis, University of Cordoba, Campus Universitario de Rabanales, Spain. ma1lurui@uco.es
Martinez-Pedrajas
C
Gomez-Nieto
MA