ERIC Number: EJ1303840
Record Type: Journal
Publication Date: 2021-Jul
Pages: 6
Abstractor: As Provided
ISBN: N/A
ISSN: ISSN-0021-9584
EISSN: N/A
An Exercise Demonstrating the Selection of Greener Compounds for a Specified Application
Vanderveen, Jesse R.; Jessop, Philip G.
Journal of Chemical Education, v98 n7 p2341-2346 Jul 2021
Selecting less hazardous chemicals is a core tenet of green chemistry but is difficult to teach in practice. The upper-year undergraduate or graduate level exercise described here empowers students to make such decisions themselves. Students are tasked with finding the greenest chemical for a specific purpose described in a hypothetical scenario, although the scenario provided in the example could easily be replaced by a scenario related to the instructor's interests or expertise. The scenario specifies the class of chemical (e.g., a trialkylamine), a performance requirement, a safety requirement, and two environmental or health impacts to consider. To complete the exercise, students must generate a library of structures using free molecular structure library-building software and predict the properties of those chemicals using quantitative structure-activity relationship (QSAR) software. Finally, the students review the predicted properties for select compounds that best match the design criteria. This exercise familiarizes students with QSARs and the concept of virtual screening and presents an opportunity for them to think critically about the selection of the greenest chemical for an application.
Descriptors: Teaching Methods, Decision Making, Chemistry, Hazardous Materials, Undergraduate Students, Graduate Students, Vignettes, Conservation (Environment), Safety, Health, Molecular Structure, Computer Software, Prediction, Design, Computer Simulation, Critical Thinking, Science Instruction, Laboratory Experiments
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
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A