Partition Function of CO2 at 1000K - Database?

In summary, the conversation is about the existence of a database for the partition function at different temperatures. The person asking the question is specifically looking for the partition function of C02 at T=1000K. The other participants clarify that the partition function does not only vary with temperature, but also depends on other parameters such as vibrational and rotational constants. They also mention that the partition function is the same for each species, but the population of energy levels changes with temperature. The conversation ends with the discovery of a file that produces partition function values for different species and isotopes.
  • #1
nordmoon
68
0
Does there exist a database for the Partition function at different temperatures? As I understand it it only varies with temperature and is otherwise the same for the species. I am looking for the partition function for C02 at T=1000K.
 
Physics news on Phys.org
  • #2
Recall that the (canonical) partition function, Q=Q(N,V,T), i.e. no it does not only vary with temperature.
 
  • #3
Maybe he intended partition coefficient?
 
  • #4
The total "partition function" or "state sum" of the molecule is what I meant. According to the book "Spectrophysics" by A. Thorne, U. Litzen, S. Johnsson (and other books in molecular and atomic spectroscopy) the partition function only depends on temperature (i.e. is a function of T). At least they write Q(T) in the book?? There are expressions for the vibrational, rotational and electronic partition functions which can be approximated to something that requires some other parameters like vibrational constant, rotational constant and such. But again, this is not the total internal state sum. My understanding is that the partition function is the same for each species (there are same amounts of energy levels in the atom or molecule) and that only changes is the population of these levels with the temperature and thus it only varies on the temperature?? But I could be wrong...

Today I actually found a file (TIPS) which produces the partition function values for different species and isotopes in the hitran database (which they have obtained and is fitted with Lagrange 4 points fitting) with the input of the temperature.

Thank you all for trying to help me.
 

1. What is the partition function of CO2 at 1000K?

The partition function of CO2 at 1000K is a measure of the number of ways that a molecule of CO2 can distribute its energy among its different vibrational, rotational, and translational modes at a given temperature. It is an important factor in calculating the thermodynamic properties of CO2, such as its heat capacity and enthalpy.

2. Why is it important to have a database of the partition function of CO2 at 1000K?

A database of the partition function of CO2 at 1000K is important for various scientific and engineering applications, such as modeling atmospheric and combustion processes, designing energy systems, and predicting chemical reactions. It provides accurate and reliable data for calculating the thermodynamic properties of CO2 at a specific temperature, which is crucial for understanding and predicting its behavior in different environments.

3. How is the partition function of CO2 at 1000K calculated?

The partition function of CO2 at 1000K is calculated using quantum mechanical principles and statistical mechanics. It involves summing over all the possible energy states of the molecule, taking into account its vibrational, rotational, and translational degrees of freedom. This calculation can be complex and time-consuming, which is why having a database of pre-calculated values is beneficial for researchers and engineers.

4. Can the partition function of CO2 at 1000K vary at different pressures?

Yes, the partition function of CO2 at 1000K can vary at different pressures. This is because pressure affects the spacing and energy levels of the molecule's vibrational and rotational modes. However, for most practical purposes, the variation in the partition function with pressure is relatively small and can be approximated by assuming a constant value.

5. Is the partition function of CO2 at 1000K affected by the presence of other molecules?

Yes, the partition function of CO2 at 1000K can be affected by the presence of other molecules, especially in high-pressure environments. This is because the interactions between molecules can alter the energy levels and distribution of energy states, thereby affecting the partition function. However, for low-pressure systems, the influence of other molecules is usually negligible.

Similar threads

Replies
2
Views
1K
  • Other Physics Topics
Replies
1
Views
1K
  • Advanced Physics Homework Help
Replies
1
Views
782
  • Quantum Physics
Replies
2
Views
717
  • Advanced Physics Homework Help
Replies
1
Views
1K
  • Atomic and Condensed Matter
Replies
9
Views
2K
Replies
1
Views
591
  • Advanced Physics Homework Help
Replies
9
Views
3K
Replies
1
Views
725
  • Advanced Physics Homework Help
Replies
1
Views
583
Back
Top