Introducing Iterative Methods to Undergraduate Chemistry Students—A Spreadsheet-Based Approach
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[1] Universidade Do Porto
Universidade Do Porto
Santo Ildefonso, Portugal
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- Localización: Journal of chemical education, ISSN 0021-9584, Vol. 97, Nº 7, 2020, págs. 1908-1914
- Idioma: inglés
- Texto completo no disponible (Saber más ...)
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Resumen
A bachelor’s degree program in chemistry typically starts with basic concepts in mathematics, physics, and chemistry. Those principles are very important because they pave the ground for future advanced studies and, therefore, one needs to present them in a clear but rigorous way. One example is provided by the mathematical notion of an iterative process which acquires a significant relevance in chemistry. The popular Newton–Raphson algorithm has been selected to exemplify how iterative methods work as it is highly effective and suitable for undergraduate students. Additionally, this work presents a straightforward and interactive pedagogical tool, created with the widespread Microsoft Office Excel, which can be applied in a classroom to solve nonlinear equations numerically. Four pervasive topics in undergraduate programs are given to illustrate the importance of iterative processes, namely the calculation of pH of a weak acid solution, the molar volume of a real gas, the molecular geometry delivered by VSEPR theory, and the conformational analysis of 1,2-dichloroethane molecule.
