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Development of a Simulator for Explaining Organic Chemical Reactions Based on Qualitative Process Theory

Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Rukaini Hj. Abdullah


This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Simulation, Chemical reactions, Explanation, qualitative processtheory

Digital Object Identifier (DOI):

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