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

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

Abstract:

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: Chemical reactions, explanation, qualitative processtheory, simulation

Digital Object Identifier (DOI): doi.org/10.5281/zenodo.1062130

References:

[1] A.Y.C. Tang, S.M. Zain, and N.A. Rahman, "Design and Development of a Qualitative Simulator for Learning Organic Reactions," International Journal of Computers, Vol. 3, Issue 1, pp. 96-103, 2009.
[2] K.D. Forbus, "Qualitative Process Theory," Artificial Intelligence, 24: 85-168, 1984.
[3] A. Bouwer and B. Bredeweg, "VisiGarp: Graphical Representation of Qualitative Simulation Models," In Moore, J.D., Luckhardt Redfield, G., Johnson, J.L. (eds.) Artificial Intelligence in Education: AI-ED in the Wired and Wireless Future. IOS Press/Ohmsha, 2001, pp. 294-305, Japan, Osaka.
[4] A. Bouwer and B. Bredeweg, "Generating Structured Explanations of System Behaviour Using Qualitative Simulations," Looi, C.K. McCalla, G., Bredeweg, B. and Breuker, B. (Eds.), Artificial Intelligence in Education: Supporting Learning through Intelligent and Socially Informed Technology, 2005, pp. 756-758, IOS press, Amsterdam.
[5] T. Horiguchi and T. Hirashima, "Robust Simulator, a Method of Simulating Learners' Erroneous Equations for Making Error-Based Simulation," in Proceedings of the Intelligent Tutoring Systems, 2006, pp. 655-665.
[6] T. Horiguchi, T. Hirashima, and M. Okamoto, "Conceptual Changes in Learning Mechanics by Error-based Simulation," in Proceedings of the International Conference on Computers in Education (ICCE), 2005, Singapore, pp. 138-145.
[7] T. Hirashima, T. Horiguchi, A. Kashihara, and J. Toyoda, "Error-based Simulation for Error-visualization and its Management," International Journal of Artificial Intelligence in Education, vol. 9, pp. 17-31, 1998.
[8] K.D. Forbus, J. Everett, L. Ureel, M. Brokowski, J. Baher, and S. Kuehne, "Distributed Coaching for an Intelligent Learning Environment," in Proceedings of International Workshop on Qualitative Reasoning, 1998, Cape Cod.
[9] K.D. Forbus, P. Whalley, J. Everett, L. Ureel, M. Brokowski, J. Baher, and S. Kuehne, "CyclePad: An Articulate Virtual Laboratory for Engineering Thermodynamics," Artificial Intelligence Journal, 114: 297- 347, 1999.
[10] K.D. Forbus, "Articulate Software for Science and Engineering Education," in Forbus, K.D., Feltovich, P., Canas, A. (eds.) Smart Machines in Education: The Coming Revolution in Educational Technology, 2001, AAAI Press.
[11] S.M.F.D. Syed Mustapha, J.S. Pang, and S.M. Zain, "QALSIC: Towards Building an Articulate Educational Software using Qualitative Process Theory Approach in Inorganic Chemistry for High School Level," Intl. J. of AIED, 15(3): 229-257, 2005.
[12] A.Y.C. Tang, S.M.F.D. Syed Mustapha, R. Abdullah, S.M. Zain, and N. A. Rahman, "Towards automating QPT model construction for reaction mechanism simulation," in the 21st International Workshop on Qualitative Reasoning, C. Price and N. Snooke (Eds), June 2007, Aberystwyth, United Kingdom, pp. 27-29.
[13] A.Y.C. Tang and S.M. Zain, "OntoRM: Ontology for Supporting the Simulation of Organic Reactions in a Qualitative Reasoning Environment," in the proceedings of the 2nd International Conference on Research Challenges in Computer Science, December 2010, Shanghai, China.
[14] A.Y.C. Tang, S.M. Zain, and R. Abdullah, "Development and Evaluation of Chemistry Educational Software for Learning Organic Reactions Using Qualitative Reasoning," Intl. J. of Education and Information Technologies, Issue 3, Vol. 4, pp. 9-138, 2010.