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Introducing Iterative Methods to Undergraduate Chemistry Students--A Spreadsheet-Based Approach

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Title: Introducing Iterative Methods to Undergraduate Chemistry Students--A Spreadsheet-Based Approach
Language: English
Authors: Magalhães, Alexandre L. (ORCID 0000-0002-1162-2089)
Source: Journal of Chemical Education. Jul 2020 97(7):1908-1914.
Availability: Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Peer Reviewed: Y
Page Count: 7
Publication Date: 2020
Intended Audience: Teachers
Document Type: Journal Articles
Reports - Descriptive
Education Level: Higher Education
Postsecondary Education
Descriptors: Spreadsheets, Chemistry, Science Instruction, Undergraduate Students, Teaching Methods, Molecular Structure, Computer Software, Equations (Mathematics), Problem Solving, Computer Assisted Instruction, Introductory Courses
DOI: 10.1021/acs.jchemed.0c00252
ISSN: 0021-9584
Abstract: 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.
Abstractor: As Provided
Entry Date: 2020
Accession Number: EJ1263864
Database: ERIC
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  Data: 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.
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