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Constructing the Phase Diagram of a Single-Component System Using Fundamental Principles of Thermodynamics and Statistical Mechanics: A Spreadsheet-Based Learning Experience for Students
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Halpern, Arthur M.; Marzzacco, Charles J. – Journal of Chemical Education, 2018
A spreadsheet project that enables students to construct chemical potential vs temperature plots, [mu](T), of liquid and gaseous mercury and all three phases of diiodine and ammonia is presented. Statistical thermodynamics is used to determine the entropies of the substances in the gas phase. For the solid and liquid phases, students start with…
Descriptors: Chemistry, College Science, Undergraduate Study, Thermodynamics
A Tale of Two Molecules: How the Heat Capacities of N[subscript 2](g) and F[subscript 2](g) Differ at High Temperature and Why Naïve Expectations Fail to Explain These Differences: A Spreadsheet Exercise for Physical Chemistry Students
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Halpern, Arthur M.; Noll, Robert J. – Journal of Chemical Education, 2019
A spreadsheet-based exercise for students is described in which they are challenged to explain and reproduce the disparate temperature dependencies of the heat capacities of gaseous F[subscript 2] and N[subscript 2]. For F[subscript 2], C[subscript p,m] increases from 300 K, reaches a maximum at 2200 K, and then decreases to 74% of the maximum…
Descriptors: Chemistry, Spreadsheets, Learning Activities, Molecular Structure
Exploring the Nature of the H[subscript 2] Bond. 1. Using Spreadsheet Calculations to Examine the Valence Bond and Molecular Orbital Methods
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Halpern, Arthur M.; Glendening, Eric D. – Journal of Chemical Education, 2013
A three-part project for students in physical chemistry, computational chemistry, or independent study is described in which they explore applications of valence bond (VB) and molecular orbital-configuration interaction (MO-CI) treatments of H[subscript 2]. Using a scientific spreadsheet, students construct potential-energy (PE) curves for several…
Descriptors: Science Instruction, College Science, Undergraduate Study, Spreadsheets
Exploring the Nature of the H[subscript 2] Bond. 2. Using Ab Initio Molecular Orbital Calculations to Obtain the Molecular Constants
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Halpern, Arthur M.; Glendening, Eric D. – Journal of Chemical Education, 2013
A project for students in an upper-level course in quantum or computational chemistry is described in which they are introduced to the concepts and applications of a high quality, ab initio treatment of the ground-state potential energy curve (PEC) for H[subscript 2] and D[subscript 2]. Using a commercial computational chemistry application and a…
Descriptors: Science Instruction, College Science, Undergraduate Study, Chemistry