Contribution to the heat capacity of vibrational energy levels.

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Homework Help Overview

The problem involves calculating the contribution of vibrational energy levels to the molar heat capacity of carbon dioxide gas at a temperature of 400 K. The original poster presents the vibrational energy levels and relevant equations but expresses uncertainty regarding their applicability to polyatomic molecules like carbon dioxide.

Discussion Character

  • Exploratory, Assumption checking, Problem interpretation

Approaches and Questions Raised

  • Participants discuss the nature of the vibrational energy levels and the equations provided by the original poster. Questions are raised about the applicability of these equations to polyatomic molecules compared to diatomic ones. There is also inquiry into how energy is partitioned at the specified temperature.

Discussion Status

The discussion is ongoing, with participants exploring different interpretations of the problem and the equations involved. Some guidance has been offered regarding the calculation of the partition function, but no consensus has been reached on the correct approach for carbon dioxide specifically.

Contextual Notes

There is a noted lack of relevant examples in literature for polyatomic molecules, which contributes to the uncertainty in the original poster's approach. The distinction between diatomic and polyatomic molecules is also a point of discussion.

lxazy
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Homework Statement


The carbon-dioxide has nondegenerate vibrational energies εr=(h/2π)ω(r+1);r=0,1,2..., where ω=(1.26*10^14)s^-1. What is the contribution of these vibrational modes to the molar heat capacity of carbon-dioxide gas at T=400K?


Homework Equations



Z=∑exp(-(h/2π)ω(r+1)/k_BT)

F=-k_BTlnZ

Cv=-T(d^2F/dT^2) keeping the volume constant

The Attempt at a Solution



I checked in some books, but did not find any relevant examples about this type of problems.

I found some formulas and process for solving this kind of question, but for diatomic molecules. Could someone please tell me whether these equations are the ones needed in this problem, if not, please let me know the correct equations and method. THANK YOU!

Z=∑exp(-(h/2π)ω(r+1)/k_BT)

F=-k_BTlnZ

Cv=-T(d^2F/dT^2) keeping the volume constant
 
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What is the energy (heat capacity) in a mole?

How many molecules in a mole? How much energy is in the lowest energy state of one molecule? Then the next? . . . .

Or who would one expect the energy to be partitioned at 400 K?
 
You should be able to calculate Z explicitly, it is a geometric series, right?

With the equations you've listed it's basically just mathe-magic from there, I think.

What is it you've found for diatomic molecules?
 
kloptok said:
You should be able to calculate Z explicitly, it is a geometric series, right?

With the equations you've listed it's basically just mathe-magic from there, I think.

What is it you've found for diatomic molecules?

Thanks for your reply! For diatomic molecules I would have used these steps and formulas to calculate the heat capacity. However, it was carbon-dioxide in this problem, which was a polyatomic molecule, and I did not find anything relevant from the statistical physics books. That is why I tried to seek for help on what procedure and formulas and techniques that should be used to solve this kind of problem.
 

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