Integration of Numerical Methods into the Undergraduate Physical Chemistry Curriculum Using MATHCAD

Abstract

Physical chemistry is the first course in the chemistry curriculum that utilizes numerical methods to calculate quantities of physical and chemical interest from measurable data. However, at present, there is no course in the American Chemical Society approved curriculum that addresses the introduction and application of numerical methods to chemistry. Current physical chemistry courses do not address this issue satisfactorily. Through a two-tiered approach, we have incorporated the MATHCAD software package into the physical chemistry curriculum, both in lecture and laboratory components, to study numerical methods.

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

“…Moreover, even in cases in which the topic is formally taught in a typical mathematics course, it is important to complement it with a practical computational approach, in order to show the usefulness of those methods in real chemistry problems and the influence of different parameters on the final solutions. After the advent of personal computers, and over the last few decades, numerous interesting applications of numerical methods in undergraduate programs in chemistry have been suggested. − In fact, it is well established that providing students with a wide diversity of study tools definitely improves the learning process. However, the increasing number of free online applications, sometimes with quite appealing interfaces, may undermine the pedagogical goals because students might be tempted to use them as black boxes.…”

MathBrowser: Web-Enabled Mathematical Software with Application to the Chemistry Curriculum, v 1.0 (MathSoft)

“…Both resident and commuter students can benefit from its availability, with the information supplied being limited only by the instructor. Already there is a body of literature with specific applications of MathCad in chemistry (2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15). As more MathCad-based chemistry-related resources become available in print and on the Internet, the application of MathBrowser to the curriculum will become easier as authoring in MathCad becomes less important for those interested in utilizing MathBrowser.…”