CalcThermPropIIILect17ME501F2011

CalcThermPropIIILect17ME501F2011 - Purdue University ME...

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Patterned Border Template 1 Purdue University School of Mechanical Engineering ME 501: Statistical Thermodynamics Lecture 17: Calculation of Thermodynamic Properties, Contribution of Internal Modes Prof. Robert P. Lucht Room 2204, Mechanical Engineering Building School of Mechanical Engineering Purdue University West Lafayette, Indiana Lucht@purdue.edu , 765-494-5623 (Phone) October 14, 2011
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Patterned Border Template 2 Purdue University School of Mechanical Engineering Lecture Topics • Electronic contribution to thermodynamic properties for diatomic molecules and atoms. • Vibrational contribution to thermodynamic properties for diatomic molecules. • Rotational contribution to thermodynamic properties for diatomic molecules.
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Patterned Border Template 3 Purdue University School of Mechanical Engineering Electronic Contribution to Assembly Properties • For an atom the only energy modes are the translational and the electronic. For a diatomic molecule, assume complete separation of the internal modes of the molecule. The electronic partition function is exp exp elec elec ll elec l l elec elec B Zg g kT T        where elec elec l l B k and is defined for each electronic level separately. The equation for the electronic partition function cannot be put in a simple form but because most excited electronic levels have characteristic temperatures on the order of 10 5 K, only a couple terms in the series need to be included to obtain an accurate partition function.
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Patterned Border Template 4 Purdue University School of Mechanical Engineering Electronic Contribution to Assembly Properties Examples: Species Electronic Levels l /hc (cm -1 )g Z elec N 4 S 3/2 0 4 4 + 10 exp(-27,700/T) 2 D 3/2,5/2 19,227 10 O 3 P 2 0 5 5 + 3 exp(-227/T) 3 P 1 158 3 + exp(-325/T) 3 P 0 226 1 + 5 exp(-22,830/T) 1 D 2 15,868 5 NO 2 1/2 0 2 2 + 2 exp(-174/T) 2 3/2 121 2
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Patterned Border Template 5 Purdue University School of Mechanical Engineering Electronic Contribution to Assembly Properties
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This note was uploaded on 12/26/2011 for the course ME 501 taught by Professor Na during the Fall '10 term at Purdue University-West Lafayette.

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CalcThermPropIIILect17ME501F2011 - Purdue University ME...

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