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For a CO molecule, the constant ϵis approximately 0.00024eV. (This number is measured using microwave spectroscopy, that is, by measuring the microwave frequencies needed to excite the molecules into higher rotational states.) Calculate the rotational partition function for a COmolecule at room temperature (300K), first using the exact formula 6.30 and then using the approximate formula 6.31.

Short Answer

Expert verified

The rotational partition function for a CO molecule at room temperature is 107.7.

The exact value of rotational partition function of a CO molecule is 108.03.

Step by step solution

01

Step 1. Given Information.

We are given that the value of constantεis 0.00024eV.

02

Step 2. Calculating rotational partition function.

The rotational partition function of a heterogeneous diatomic molecule is,

Zrot=∑j=0∞(2j+1)exp-j(j+1)∈kT

At higher temperatures, for kT≫>∈, the rotational partition function becomes as follows,

Zrot=kTϵ

Substitute 8.617×10-5eV/K for k, 300K for T, and 0.00024eVin the equation Zrot=kTϵ, we get

Zrot=8.617×10-5eV/K(300K)0.00024eV=107.7

Therefore, the rotational partition function of a CO molecule is 107.7.

03

Step 3. Calculating the exact rotational partition function.

The rotational partition function of a heterogeneous diatomic molecule is,

Zrot=∑j=0∞(2j+1)exp-j(j+1)∈kT

Expand the above summation from j=0to j=50,

role="math" Zrot=1+3exp-2ϵkT+5exp-6ϵkT+7exp-12ϵkT+…101exp-2550ϵkT

Substitute 107.7for kTϵ in the above equation,

Zrot=1+3exp-2107.7+5exp-6107.7+7exp-12107.7=108.03

Hence, the exact value of rotational partition function of a CO molecule is 108.03.

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Most popular questions from this chapter

Consider a hypothetical atom that has just two states: a ground state with energy zero and an excited state with energy 2 eV. Draw a graph of the partition function for this system as a function of temperature, and evaluate the partition function numerically at T = 300 K, 3000 K, 30,000 K, and 300,000 K.

For a diatomic gas near room temperature, the internal partition function is simply the rotational partition function computed in section 6.2, multiplied by the degeneracy Zeof the electronic ground state.

(a) Show that the entropy in this case is

S=NkInVZeZrotNvQ+72.

Calculate the entropy of a mole of oxygen at room temperature and atmospheric pressure, and compare to the measured value in the table at the back of this book.

(b) Calculate the chemical potential of oxygen in earth's atmosphere near sea level, at room temperature. Express the answer in electron-volts

Derive equation 6.92 and 6.93 for the entropy and chemical potential of an ideal gas.

In the real world, most oscillators are not perfectly harmonic. For a quantum oscillator, this means that the spacing between energy levels is not exactly uniform. The vibrational levels of an H2 molecule, for example, are more accurately described by the approximate formula

En≈ϵ1.03n-0.03n2,n=0,1,2,…

where ϵ is the spacing between the two lowest levels. Thus, the levels get closer together with increasing energy. (This formula is reasonably accurate only up to about n = 15; for slightly higher n it would say that En decreases with increasing n. In fact, the molecule dissociates and there are no more discrete levels beyond n ≈15.) Use a computer to calculate the partition function, average energy, and heat capacity of a system with this set of energy levels. Include all levels through n = 15, but check to see how the results change when you include fewer levels Plot the heat capacity as a function of kT/ϵ. Compare to the case of a perfectly harmonic oscillator with evenly spaced levels, and also to the vibrational portion of the graph in Figure 1.13.

Estimate the partition function for the hypothetical system represented in Figure 6.3. Then estimate the probability of this system being in its ground state.

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