Computer simulations as a complementary educational tool in practical work: Application of monte-carlo simulation to estimate the kinetic parameters for chemical reactions

Abstract

From the point of view of educational environments technological innovation, teaching has stopped to be based on theory without the practical manipulations, providing new complementary educational services through different tools, computer modeling and simulations are necessary in order to encourage the university student’s skills acquisition. In kinetics we have to estimate parameters for the catalytic chemical reactions, vapor deposition and many other reactions. Kinetic Monte Carlo is a simulation method often used when simulating how chemical systems evolve over time, for example how crystalline layers grow or evolve as atoms are deposited or hops around on a defined lattice surface or how concentrations of substrates depend on enzymatic reactions. The work presented in this paper aims at highlighting the role of using computer simulations in the practical work of the teaching of the kinetic chemical roles, especially due to their impact on learning during the teaching process. Undoubtedly, by applying the Monte Carlo method and implementing a computer application developed in the educational setting for the simulations of the chemical reactions provides the students with the opportunity to acquire new skills and abilities, including the didactic and educational ones, enabling them, thus, to create a new dynamic that aims at optimizing the process of interaction and interactivity in the university. The analysis of the collected data is made after carrying out a survey on the impact of the integration of this new techno-pedagogic instrument on the students of the MSC course taught in third year at the Faculty of Science-Ben M’sik. The analysis is showing the usefulness of using this system in order to participate in the integration of the other platforms and applications of scientific simulations.