Computational chemistry laboratory: Calculating the energy content of food applied to a real-life problem

Dora Barbiric, Lorena Tribe, Rosario Soriano

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

In this laboratory, students calculated the nutritional value of common foods to assess the energy content needed to answer an everyday life application; for example, how many kilometers can an average person run with the energy provided by 100 g (3.5 oz) of beef? The optimized geometries and the formation enthalpies of the nutritional components of the food and their combustion products were calculated using molecular mechanics and a semiempirical method, AM1 or PM3, on the lab computers. These data were used to assess the energy content of common foods and compare with food label information. This general chemistry laboratory was designed for students of food engineering, yet it is applicable to students in any general chemistry course. Groups of students have successfully completed the laboratory as described here. The software was introduced, and the calculations were carried out in two, 2.5 h-long sessions.

Original languageEnglish (US)
Pages (from-to)881-885
Number of pages5
JournalJournal of Chemical Education
Volume92
Issue number5
DOIs
StatePublished - May 12 2015

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Computational chemistry
chemistry
food
energy
Students
student
Beef
Molecular mechanics
mechanic
everyday life
Labels
Enthalpy
mathematics
engineering
human being
Geometry
Values
Group

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Education

Cite this

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Computational chemistry laboratory : Calculating the energy content of food applied to a real-life problem. / Barbiric, Dora; Tribe, Lorena; Soriano, Rosario.

In: Journal of Chemical Education, Vol. 92, No. 5, 12.05.2015, p. 881-885.

Research output: Contribution to journalArticle

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