The Use of Free-Energy Minimization for Calculating β Factors and Equilibrium Compositions in Flame Spectroscopy

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Abstract:

A method is presented for calculating the equilibrium composition in a flame system. The method utilizes a computer program based on the minimization of free energy in the model system. Calculations were made of β values (the free-atom fraction) for 17 elements in the nitrous oxide/acetylene flame and for 15 elements in the air/acetylene flame. Special investigations were made with aluminum in the nitrous oxide/acetylene flame to study the effects of varying flame stoichiometry, matrix elements, and ion formation on the equilibrium composition of the flame system. Applications of the method are discussed.

Keywords: Atomic spectroscopy; Computer applications; Flame composition; Free-atom fractions; β factors

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702794924986

Affiliations: Chemistry Department, Arizona State University, Tempe, Arizona 85281

Publication date: November 1, 1979

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