Vibrational free energy in the high temperature limit

In summary, the conversation discusses the free energy of the vibrational degrees of freedom of a diatomic ideal gas and the result for the high temperature regime where \hbar\omega \ll T. The result is given as F_{\text{vib}} = -NT\log{T} + NT \log{(\hbar\omega)} - N \frac{1}{2} \hbar\omega, but the individual steps to arrive at this result are unclear. The person suggests rewriting the expression and expanding it in terms of \hbar\omega/T, but this only leads to the first and second order terms without a clear way to separate them. The person also mentions trying to use limits, but this does not
  • #1
mSSM
33
1
This doesn't really qualify as a proper physics question, but I don't know where to put this... I have been thinking about this for about 2 hours now, and just don't get the correct approximation.

For the free energy of the vibrational degrees of freedom of a diatomic ideal gas I have:
[tex]
F_{\text{vib}} = NT \log{\left( 1 - \mathrm{e}^{-\hbar\omega/T} \right) }
[/tex]

Now, for the high temperature regime, [itex]\hbar\omega \ll T[/itex], I know the result looks like:
[tex]
F_{\text{vib}} = -NT\log{T} + NT \log{(\hbar\omega)} - N \frac{1}{2} \hbar\omega
[/tex]

But I have no idea how to arrive there... I thought, one could rewrite it, to see where the terms should arrive from:
[tex]
F_{\text{vib}} = NT \log{\left( \frac{\hbar\omega}{T} \right)} - N T \left( \frac{1}{2} \frac{\hbar\omega}{T} \right)
[/tex]

But also that didn't get me far... since we have [itex]\hbar\omega/T \ll 1[/itex], I thought I could give it a try and expand the argument of the logarithm in terms of [itex]\hbar\omega/T[/itex] around [itex]0[/itex], but that only gave me the first part (upon expansion to first order; the zeroth order, obviously, drops):
[tex]
F_{\text{vib}} = NT \log{\left( \frac{\hbar\omega}{T} \right)}
[/tex]

Expanding to second order gives the one-half term, but everything else then doesn't quite make sense, since I can't just separate that...:
[tex]
F_{\text{vib}} = NT \log{\left( \frac{\hbar\omega}{T} - \frac{1}{2} \left( \frac{\hbar\omega}{T} \right)^2 \right)}
[/tex]

I also thought about working with limits, but I figure that does not really make sense (first, unit wise, and second it didn't lead me anywhere sensible).Any ideas?EDIT: Just to add: I am aware that in the high-temperature limit I can get the above expression by replacing the sum in the partition function for the vibrational states by an integral over the momenta and coordinates. (I didn't write the parition function down explicitly, but it is precursor of the first free energy I wrote down - the argument of the logarithm in that expression can be written as a geometric series, which then gives the partition function.)
 
Last edited:
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  • #2
However, I am interested in the derivation from the expression F_{\text{vib}} = NT \log{\left( 1 - \mathrm{e}^{-\hbar\omega/T} \right) }.
 

1. What is vibrational free energy in the high temperature limit?

Vibrational free energy in the high temperature limit refers to the energy associated with the vibrations of molecules in a substance at temperatures that are significantly higher than its melting point.

2. How is vibrational free energy in the high temperature limit calculated?

Vibrational free energy in the high temperature limit can be calculated using statistical thermodynamics, specifically through the use of the equipartition theorem which states that each degree of freedom in a molecule contributes 0.5kT to the total energy, where k is the Boltzmann constant and T is the temperature.

3. What is the significance of understanding vibrational free energy in the high temperature limit?

Understanding vibrational free energy in the high temperature limit is important in various fields such as material science, chemistry, and physics. It allows us to predict the behavior and properties of substances at high temperatures, which is crucial in developing new materials and understanding chemical reactions.

4. Can vibrational free energy in the high temperature limit be measured experimentally?

Yes, vibrational free energy in the high temperature limit can be measured experimentally through techniques such as calorimetry or spectroscopy. These methods involve measuring the energy changes or the frequencies of the molecular vibrations, respectively.

5. How does vibrational free energy in the high temperature limit relate to other thermodynamic properties?

Vibrational free energy in the high temperature limit is closely related to other thermodynamic properties such as entropy and enthalpy. It is affected by changes in temperature, pressure, and molecular interactions, and can be used to calculate these properties in conjunction with other thermodynamic equations.

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