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For a CO molecule, the constant epsilon is approximately 0

Physics Sep 29, 2020

For a CO molecule, the constant epsilon is approximately 0.00024 eV. Calculate the rotational partition function for a CO molecule at room temperature (300 K), first using the exact formula:

(j = 0 to ∞)
Zrot = sum of (2j + 1)e-E(j)/kT = sum of (2j + 1)e-j(j + 1)epsilon/kT,

and then using the approximate formula:
(integral is from 0 to infinity)
Zrot = integrla of (2j + 1)e-j(j + 1)epsilon/kT dj = kT/epsilon.

Expert Solution

Please see the attached file.

For a CO molecule, the constant ? is approximately 0.00024 eV. Calculate the rotational partition function for a CO molecule at room temperature (300 K), first using the exact forumula:

(j = 0 to ∞)
Zrot = Σ(2j + 1)e-E(j)/kT = Σ(2j + 1)e-j(j + 1)?/kT,

and then using the approximate formula:
(integral is from 0 to ∞)
Zrot ≈ ∫(2j + 1)e-j(j + 1)?/kT dj = kT/?.

The constant
The Boltzmann constant
The temperature is
So we define

Here is the plot of (j, Z) till j is larger than 45. The summation up to yields the same Z of 108, (the difference is less than 1%).
The results are listed in the attached excel file.
So using the summation,

Using the approximate formula:

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