Disconnect between Lennard-Jones and Heat of Vaporization

In summary, people say that processes like evaporation and boiling are endothermic because chemical bonds are being broken, but for actual cooling to occur there must a loss in translational kinetic energy of the molecules involved. So I'm asking myself "how can the breaking of bonds lead to a decrease in molecular (translational) kinetic energy?" The obvious answer is that neighboring molecules slow down a molecule as it is escaping a liquid. This means energy is lost by the system as a whole. This does not explain directly how evaporation cools water (since the energy being lost is lost by the escaping molecule, not the molecules left behind), but it at least explains how a closed system can be cooled by evaporation
  • #1
FireBones
103
0
I'm trying to understanding "Heat of Vaporization" in fundamental terms.

People say that processes like evaporation and boiling are endothermic because chemical bonds are being broken, but for actual cooling to occur there must a loss in translational kinetic energy of the molecules involved. So I'm asking myself "how can the breaking of bonds lead to a decrease in molecular (translational) kinetic energy?"

The obvious answer is that neighboring molecules slow down a molecule as it is escaping a liquid. This means energy is lost by the system as a whole. This does not explain directly how evaporation cools water (since the energy being lost is lost by the escaping molecule, not the molecules left behind), but it at least explains how a closed system can be cooled by evaporation/boiling going on inside it.

One could also argue that the molecules that escape are, on average, the faster moving molecules, so the average kinetic energy of the sample goes down because in the process of phase change it is losing its "hotter" particles.


With these notions in mind, I decided to look at the question of "how much energy is actually lost when a molecule escapes?" In other words, how much does the tugging by nearby molecules slow down an escapee? That is when I got very confused.


I looked at typical water simulation models, and it appears that it is far easier to escape nearby molecules than I had thought. Taking the Lennard-Jones as a rough approximation, the potential well formed by a pair of molecules has a depth of about 650 J/mole. If we mentally put 3 neighbors around the molecule, it would seem that the amount of energy necessary for water molecules to escape their neighbors is only about 2kJ/mole, which is well below the enthalpy of vaporization [40 kJ/mole].


In fact, the average water molecule at any temperature [0C to 100C] has more than enough kinetic energy to escape its neighbors according to the L-J model. Even taking into consideration issues like direction of motion, etc., one would expect an unsettling percentage of molecules (about 25 percent) on the surface of a puddle at room temperature to be moving in the right direction and with sufficient momentum to escape at every nanosecond.

Something is not adding up here.

Could someone explain to me:

A. Why is the depth of the L-J potential such a tiny fraction of the energy of vaporization?

B. Why don't puddles evaporate into dry air practically instantaneously since about a quarter of the molecules on their surface at any given instant are moving fast enough and in the right direction to escape from their L-J potential wells?

Thanks
 
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  • #2
Nevermind. The L-J potential does not include hydrogen bonds.
 
  • #3
I think you are correct, it is just that you have calculated the evaporation of helium or a similar noble gas. Water is much more difficult since the interation is dominated by hydrogen bonds. It would be interesting to see if you can get it right if you include the dipole dipole interactions too. The dipole moment of water is probably easy to find.
 

1. What is the Lennard-Jones potential?

The Lennard-Jones potential is a mathematical model that describes the interaction between two neutral atoms or molecules. It takes into account both the attractive and repulsive forces between them, and is commonly used to study the behavior of gases and liquids.

2. How does the Lennard-Jones potential relate to the heat of vaporization?

The Lennard-Jones potential is used to calculate the intermolecular forces between molecules in a substance. These forces play a significant role in determining the heat of vaporization, which is the amount of energy required to convert a liquid into a gas at a constant temperature.

3. Why is there a disconnect between the Lennard-Jones potential and the heat of vaporization?

The Lennard-Jones potential is a simplified model that does not take into account all the factors that contribute to the heat of vaporization. In reality, there are many other factors such as molecular size, shape, and polarity that also influence the heat of vaporization. Therefore, there can be a discrepancy between the predicted value from the Lennard-Jones potential and the actual value.

4. How can the disconnect between the Lennard-Jones potential and the heat of vaporization be explained?

The disconnect can be explained by the limitations of the Lennard-Jones potential, as well as the complexity of intermolecular interactions. Additionally, experimental conditions and variations in molecular properties can also contribute to the discrepancy between the predicted and actual values.

5. How can scientists address the disconnect between the Lennard-Jones potential and the heat of vaporization?

Scientists can use more sophisticated mathematical models that take into account additional factors and interactions to better predict the heat of vaporization. They can also conduct further experimental studies to gather more accurate data and validate the predictions made by these models.

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