Origin of 12th power dependency of Pauli repulsion?

In summary, the Lennard-Jones potential involves a 6th power dependency for dipole dipole interactions and a 12th power dependency for Pauli repulsion. While the 6th power dependency has a theoretical justification, the 12th power dependency does not. It is simply chosen for mathematical convenience. At small distances, the Pauli repulsion dominates over the dipole dipole attraction, but at larger distances it is the other way around. The two free parameters can be used to adjust the location of the region where the potentials are of comparable size.
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I was reading about the Lennard-Jones potential, and I believe I understand the derivation of the 6th power dependency of dipole dipole interactions (Van der Waal forces) well. The most I have been able to find about the 12th power dependency of Pauli repulsion is that is has no theoretical justification but approximates repulsion at short ranges due to overlapping electron orbitals well and happens to be the square of the Van der Waals term. I was wondering if there is any more detail to this. Does a 12th power dependency work better than a 10th power dependency, for instance? Is the difference great enough to matter? In what way did this term of the Lennard-Jones potential come about exactly?
 
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The twelfth power dependence has no physical justification. Any high power or exponential dependence will do. However it is mathematical convenient to choose the repulsive term as the square of the attractive term.
 
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Seeing that the Lennard Jones potential involves the Pauli repulsion term minus an inverse 6th power dependency as a summation of potentials, doesn't the relative value of the Pauli repulsion to the dipole dipole attraction matter greatly? How is it that they can just choose "any high power or exponential dependence"?
 
  • #4
The Pauli repulsion dominates completely at small distances over the dipole dipole attraction, while at larger distances it is the other way round. There is only a small region where the two potentials are of comparable size and the location of this region can be fixed by the two free parameters.
 

1. What is the origin of the 12th power dependency in Pauli repulsion?

The 12th power dependency in Pauli repulsion, also known as the "Pauli repulsion barrier", is a result of the quantum mechanical properties of electrons. Specifically, it arises from the Pauli exclusion principle, which states that no two electrons can occupy the same quantum state. This exclusion leads to a strong repulsion between electrons, resulting in the 12th power dependency.

2. How is the 12th power dependency of Pauli repulsion calculated?

The 12th power dependency of Pauli repulsion is calculated using the Lennard-Jones potential, which is a mathematical model that describes the interaction between two neutral atoms or molecules. The potential includes a term that accounts for the Pauli repulsion, which is proportional to the 12th power of the distance between the two particles.

3. Why is the 12th power dependency important in chemistry?

The 12th power dependency of Pauli repulsion is important in chemistry because it is a fundamental force that determines the stability and properties of molecules. It plays a crucial role in determining the structure of molecules and how they interact with each other. Without the 12th power dependency, atoms and molecules would be able to get much closer together, leading to a completely different chemical landscape.

4. Can the 12th power dependency be modified or eliminated?

No, the 12th power dependency of Pauli repulsion cannot be modified or eliminated. As it is a fundamental force of nature, it is an essential part of the laws that govern the behavior of particles at the atomic and molecular level. However, scientists have been able to manipulate this force to a certain extent through the use of external forces, such as pressure or temperature.

5. Is the 12th power dependency the only factor contributing to repulsion between particles?

No, while the 12th power dependency is a significant factor in repulsion between particles, it is not the only one. Other factors, such as electrostatic repulsion between charged particles, also play a role in determining the overall repulsion between particles. However, the 12th power dependency is often the dominant factor in determining the stability and behavior of molecules.

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