Partition Function of CO2 at 1000K - Database?

Click For Summary
SUMMARY

The discussion centers on the partition function of CO2 at 1000K, emphasizing its dependence on temperature and the need for accurate databases. The canonical partition function, Q=Q(N,V,T), varies with temperature and is not species-specific. The book "Spectrophysics" by A. Thorne, U. Litzen, and S. Johnsson confirms that the partition function is a function of temperature, Q(T). A relevant resource mentioned is the HITRAN database, which provides partition function values for various species and isotopes based on temperature input.

PREREQUISITES
  • Understanding of canonical partition functions in statistical mechanics
  • Familiarity with molecular spectroscopy concepts
  • Knowledge of the HITRAN database and its applications
  • Basic principles of vibrational and rotational constants
NEXT STEPS
  • Research the HITRAN database for partition function values and their applications
  • Study the derivation and significance of the canonical partition function Q(N,V,T)
  • Explore vibrational and rotational partition functions and their calculations
  • Read "Spectrophysics" by A. Thorne, U. Litzen, and S. Johnsson for deeper insights into molecular spectroscopy
USEFUL FOR

Researchers in physical chemistry, molecular physicists, and anyone involved in the study of thermodynamic properties of gases, particularly those focusing on CO2 and its behavior at high temperatures.

nordmoon
Messages
65
Reaction score
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
Recall that the (canonical) partition function, Q=Q(N,V,T), i.e. no it does not only vary with temperature.
 
Maybe he intended partition coefficient?
 
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.
 

Similar threads

High School Microcanonical vs. Canonical Partition Functions: What's the Difference?
  • · Replies 2 ·
Replies
2
Views
2K
Undergrad Partition Function: 2 Approaches & Questions Answered
  • · Replies 9 ·
Replies
9
Views
3K
Partition Function for system with 3 energy levels
  • · Replies 1 ·
Replies
1
Views
2K
Rotational partition function for CO2 molecule
  • · Replies 1 ·
Replies
1
Views
2K
Undergrad Partition function for continuous spectrum
  • · Replies 2 ·
Replies
2
Views
2K
Graduate Hydrogen partition function and degeneracy
  • · Replies 1 ·
Replies
1
Views
3K
Graduate Partition function for one particle
  • · Replies 1 ·
Replies
1
Views
2K
Undergrad Average magnetic moment of atom in magnetic field ##B##
  • · Replies 1 ·
Replies
1
Views
1K
Partition function of 2 bosons in two energy level 0 and E
  • · Replies 9 ·
Replies
9
Views
5K
Graduate Partition Function for Phonons
  • · Replies 1 ·
Replies
1
Views
5K