Particle simulations for inquiry-based teaching of polymer shape and entropic elasticity using computational thinking

Abstract

An inquiry-based approach is proposed that allows students to develop and understand computer codes for simulations at the particle level. Computational thinking is employed as a low-threshold approach for students without programming experience. The resulting computer code cores are concise and traceable. Here, the topic of the simulations concerns polymer molecules. A special property of polymers, coiling, and the related entropic elasticity is suitable for the setup of a simulation in class. Students at the upper secondary level were introduced into the topic by an activity. This was a stochastic game serving as a basis to for the development of the corresponding algorithm. Once students are involved in the development of the code, they can meaningfully investigate the model by running the program, changing its parameters, or altering the code. With these simulations, students can prove wrong the early belief that polymer molecules exhibit a stretched chain structure. Furthermore, the confinement of the system leads to a decrease in entropy, which in turn results in a force acting on the walls that can be elaborated comprehensively by students through such simulations.