Lennard-Jones Potential: Equilibrium Distance and Dissociation Work

In summary, the Lennard-Jones equation gives the potential energy of two atoms separated by a distance r. The distance between atoms at the condition of stable equilibrium is r_0*2^(1/6), and the minimum work needed to completely dissociate the molecule by separating the atoms at equilibrium is U_0.
  • #1
postfan
259
0

Homework Statement


The Lennard-Jones equation shown below gives the potential energy of two atoms when they are separated by a distance r.
U(r)=4 U_0 \left[\left(\frac{r_0}{r}\right)^{12}-\left(\frac{r_0}{r}\right)^6\right]

a)What is the distance between atoms at the condition of stable equilibrium? (Enter r sub 0 or U sub 0 by typing r_0 or U_0). If you choose to give an approximate answer, be sure to give your answer to at least 4 digits after the decimal.

b)What is the minimum work needed to completely dissociate the molecule by separating the atoms from each other if they are initially at equilibrium? (Enter r sub 0 or U sub 0 by typing r_0 or U_0)

Homework Equations


The Attempt at a Solution


Honestly this looks like Ancient Greek to me. I have no shadow of inking of an idea on how to even start on this problem. If someone could help me that would be awesome!
 
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  • #2
postfan said:

Homework Statement


The Lennard-Jones equation shown below gives the potential energy of two atoms when they are separated by a distance r.
##U(r)=4 U_0 \left[\left(\frac{r_0}{r}\right)^{12}-\left(\frac{r_0}{r}\right)^6\right]##

a)What is the distance between atoms at the condition of stable equilibrium? (Enter r sub 0 or U sub 0 by typing r_0 or U_0). If you choose to give an approximate answer, be sure to give your answer to at least 4 digits after the decimal.

b)What is the minimum work needed to completely dissociate the molecule by separating the atoms from each other if they are initially at equilibrium? (Enter r sub 0 or U sub 0 by typing r_0 or U_0)

Homework Equations





The Attempt at a Solution


Honestly this looks like Ancient Greek to me. I have no shadow of inking of an idea on how to even start on this problem. If someone could help me that would be awesome!

What is the condition of stable equilibrium?
 
  • #3
Where there are no forces acting on an object.
 
  • #4
postfan said:
Where there are no forces acting on an object.

You mean the net force is zero.

If the force is zero, what can be said about the potential energy? How are they related?
 
  • #5
If the force is 0 then the potential energy is zero?
 
  • #6
postfan said:
If the force is 0 then the potential energy is zero?

Why would that happen?

Again, what is the relation between force and potential energy?
 
  • #7
I don't know.
 
  • #8
postfan said:
I don't know.

What is the definition of "potential energy"?

Given potential energy, can you determine the force?
 
  • #9
Potential energy is the energy of an object or a system due to the position of the body or the arrangement of the particles of the system.

No you can't determine the force from the potential energy.
 
  • #10
Wait a minute : U(\vec{r}) = - \int_{\vec{r}_{ref}}^{\vec{r}}\vec{F}\cdot d\vec{r}
 
  • #11
You need a review on potential energy and force. You seem to remember something, which is good, but you do not seem to have a solid understanding of the relationship between force and potential energy.
 
  • #12
Wait, F(x) = -\frac{dU}{dx}
 
  • #13
You might want to look at my questions in #4 again.
 
  • #14
If the force is 0 then the potential energy is 0.
 
  • #15
postfan said:
If the force is 0 then the potential energy is 0.

Does this follow from #12?
 
  • #16
I figured it out, the answer to the first part is r_0*2^(1/6) and the second part is u_0. Thanks for your help!
 

1. What is the Lennard-Jones potential?

The Lennard-Jones potential is a mathematical model used to describe the interactions between neutral particles, such as atoms or molecules, in a system. It takes into account both the attractive and repulsive forces between the particles, and is commonly used in molecular dynamics simulations.

2. How is the Lennard-Jones potential calculated?

The Lennard-Jones potential is calculated using the equation:
V(r) = 4ε[(σ/r)^12 - (σ/r)^6]
where r is the distance between the particles, ε is the depth of the potential well, and σ is the distance at which the potential is zero. This equation is based on the assumption that the interactions between particles can be described by a combination of a repulsive term (proportional to r^-12) and an attractive term (proportional to r^-6).

3. What is the significance of the parameters ε and σ in the Lennard-Jones potential?

The parameters ε and σ represent the strength and size of the interactions between particles, respectively. The value of ε determines the depth of the potential well, which affects the strength of the attractive forces between particles. The value of σ determines the distance at which the potential is zero, and therefore affects the distance at which the particles are in equilibrium.

4. What are some limitations of the Lennard-Jones potential?

The Lennard-Jones potential is a simplified model that does not take into account all of the complex interactions between particles, such as electrostatic interactions. It also assumes that the particles are neutral and non-polar, which may not be the case in all systems. Additionally, the potential is only accurate for a specific range of distances and may not accurately predict behavior at longer distances.

5. How is the Lennard-Jones potential used in scientific research?

The Lennard-Jones potential is commonly used in molecular dynamics simulations to study the behavior of particles in a system. It is particularly useful for studying non-covalent interactions between molecules, such as van der Waals forces. It is also used in the development of new materials and in the study of phase transitions and other phenomena in condensed matter physics.

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