Degrees of freedom of a water molecule

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SUMMARY

The discussion centers on the degrees of freedom of a water molecule, establishing that it possesses a total of 12 degrees of freedom. This includes three translational degrees in the xyz space, six vibrational degrees from normal modes, and three rotational degrees due to its nonlinear structure, specifically the 105-degree angle between H-O bonds. The conversation emphasizes that while potential and kinetic energy are associated with vibrational modes, they do not constitute separate degrees of freedom. The equipartition theorem is referenced to clarify the counting of these degrees of freedom.

PREREQUISITES
  • Understanding of molecular geometry, specifically nonlinear molecules
  • Familiarity with degrees of freedom in physics
  • Knowledge of the equipartition theorem
  • Basic concepts of vibrational and rotational energy in molecules
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  • Research the equipartition theorem in detail
  • Explore molecular geometry and its impact on degrees of freedom
  • Study vibrational modes in nonlinear molecules
  • Examine the implications of rotational degrees of freedom in thermodynamics
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Students and professionals in chemistry, physics, and materials science, particularly those interested in molecular dynamics and thermodynamics of water molecules.

LCSphysicist
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Homework Statement
List all the degrees of freedom, or as many as you can, for a
molecule of water vapor. (Think carefully about the various ways in which the
molecule can vibrate.)
Relevant Equations
There is no.
Well, first of all is really good to say that we don't can appeal to quantum mechanics...
So, i can see:
Three degree of freedoms in translation on a space xyz +3 degree
Three normal modes of vibration, but each normal mode has with it a potential and vibrational kinetic energy, so +6 degree

The problem is rotation, how can i know what directions can i molecule rotation?
 
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LCSphysicist said:
but each normal mode has with it a potential and vibrational kinetic energy
Yes, but the two forms of energy do not constitute separate modes.

Wrt rotation, I believe water molecules are sufficiently nonlinear to be counted as having three rotational degrees of freedom.
 
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haruspex said:
Yes, but the two forms of energy do not constitute separate modes.

Wrt rotation, I believe water molecules are sufficiently nonlinear to be counted as having three rotational degrees of freedom.
The H-O bonds enclose 105 degrees, so the molecule is definitely nonlinear. The rotational modes are around three axes, two of them in the molecular plane and one perpendicular to it.
1595575540537.png

http://www.xaktly.com/Water.html
 
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haruspex said:
Yes, but the two forms of energy do not constitute separate modes.
It does if you're counting degrees of freedom for the equipartition theorem.
 
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haruspex said:
Yes, but the two forms of energy do not constitute separate modes.

Wrt rotation, I believe water molecules are sufficiently nonlinear to be counted as having three rotational degrees of freedom.
As @vela said, i need to account the two types of energy, potential and kinect ;)
ehild said:
The H-O bonds enclose 105 degrees, so the molecule is definitely nonlinear. The rotational modes are around three axes, two of them in the molecular plane and one perpendicular to it.
View attachment 266777
http://www.xaktly.com/Water.html
This is a really good image, so nonlinear molecules always has three degree wrt rotation?

...

Well, with this +3 deegre, we get 12, the answer...
 
LCSphysicist said:
This is a really good image, so nonlinear molecules always has three degree wrt rotation?
yes.
 
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vela said:
It does if you're counting degrees of freedom for the equipartition theorem.
Ah, yes - I see why that is so. Thanks.
 
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any free rigid body has 6 degrees of freedom
 
wrobel said:
any free rigid body has 6 degrees of freedom
Yes, but my (limited) understanding is that for the purposes of equipartition a molecule that is essential a rod is not accorded one for a spin about that axis.
 

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