An Introduction to Thermal Physics
An Introduction to Thermal Physics
1st Edition
ISBN: 9780201380279
Author: Daniel V. Schroeder
Publisher: Addison Wesley
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Chapter 6.2, Problem 25P

The analysis of this section applies also to linear polyatomic molecules, for which no rotation about the axis of symmetry is possible. An example is CO 2 , with ε =0 .000049 eV . Estimate the rotational partition function for a CO 2 molecule at room temperature. (Note that the arrangement of the atoms is OCO, and the two oxygen atoms are identical.)

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In this and following questions, we develop a model for spontaneous emission of a photon by a diatomic molecule AB (a model molecule), which rotates and vibrates. In intermediate calculations, atomic units (a.u.) will be used: unit of mass = the mass of electron, unit of charge is the proton charge e, (e is a positive constant so that the charge of electron is -e). The initial state of the molecule is an excited rotational (1=1) and excited vibrational state (v=1). We consider a molecule with the reduced mass µ = 10,000 a.u. (it is similar to the mass of CO). After emitting a photon, the molecule will go to the 1=0, v=0 state. The first question is about the model potential of the molecule. It is represented by a potential of the form: V(r) = C6 p12 C12 p6 " where r is the distance between A and B in the molecule, C6 and C12 are positive constants (C6 =2 and C₁2-1). This potential has a well meaning that the molecule is bound. The first thing to do is find vibrational states of the…
The diatomic molecule N2 has a rotational constant B(~) = 2.0 cm-1 and a vibrational constant v(~) = 2400 cm-1. The symmetry number for the molecule is 2.  Sorry that I cannot write the symbols properly here for the wavenumber versions of the spectroscopic constants. (a) Calculate the rotational partition function and the vibrational partition function for N2 at T = 298 K assuming the high-temperature limit is valid in both cases. (b) Suppose that a high-temperature limit for a partition function gives the value q = 0.34. Comment on the value and whether the high-temperature limit is valid.
N 2  has a molecular weight of 28.02 g/mol a bit larger than that of a Ne atom, 20.18 g/mol. (a) At a particular temperature, Z trans= 1.90 x 10 26 for Ne in a specific container. What is the translational partition function for a N2 molecule in this container at the same temperature? (b) At 100 K, the rotational partition function for N2is found to be 17.39. What would you expect it to be at 500 K?
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