Sketching this function for potential energy of two atoms in a molecule

In summary: This is helpful. In summary, the Morse function can be used to approximate the potential energy of two atoms in a molecule. The equation can be rewritten as e^{R/S-r/S}, where R/S is a dimensionless variable that becomes infinite as r/R approaches 1. The function is accurate in the region near R/S=1, but becomes inaccurate as r/R gets smaller.
  • #1
Nano-Passion
1,291
0

Homework Statement



The potential energy of two atoms in a molecule can sometimes be approximated by the Morse function, where r is the distance between the two atoms and A, R, And positive constants with S<<R. Sketch this function for 0<r<∞...

##U(r) = A ( (e^{(R-r)/(S)}-1)^2 - 1) ##

This is just one part of the problem but it is the part bothering me so I'll leave out the rest of the problem. This should be an easy problem, as indicated by the (*).

The Attempt at a Solution



##U(r) = A ( (e^{(R-r)/(S)}-1)^2 - 1) ##
I rewrite ##e^{(R-r)S}## as ##e^{R/S-r/S}##

The only way I can think about graphing this is to ignore all other things except for ##e^{R/S-r/S}## and manipulating R/S

Since S<<R, ##R/S→∞##

But then that just gives me nonsense! What else can I do?

Expanding ##(e^{R/S-r/S})^2## does not help either. Ignoring all constants and values except for r does not help either because ##e^{R/S-r/S}## = e^-r which will give me the wrong sketch.
 
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  • #2
Plot U/A as a function of r/R, with R/S as a parameter for each curve. Try a value of R/S equal to 10 to start with. Play with different values of R/S.
 
  • #3
Chestermiller said:
Plot U/A as a function of r/R, with R/S as a parameter for each curve. Try a value of R/S equal to 10 to start with. Play with different values of R/S.

As a function of r/R? I'm not following and I don't understand the motivation behind this. =/
 
  • #4
Nano-Passion said:
As a function of r/R? I'm not following and I don't understand the motivation behind this. =/

You'd like to be able to display all the information about this function on a single graph. You can do this if you use the dimensionless variables U/A, r/R, and R/S. When r/R = 1, U/A = -1; thus, this point should be the same on all the curves, irrespective of R/S. Rewrite the equation in the form:

(U/A) = (exp(-R/S (r/R -1)) -1)2 -1

You can explore the behavior in the region r close to R by expanding in a Taylor series in (1-r/R):

(U/A) ~ ((1 - (R/S)(1-r/R)) -1)2 -1 = -1 + (R/S)2(1-r/R)2

At very small r/R, you approach

(U/A) ~ exp (2R/S)

At very large r/R, you approach

(U/A) ~ -2 exp(-R/S (r/R))
 
  • #5
Chestermiller said:
You'd like to be able to display all the information about this function on a single graph. You can do this if you use the dimensionless variables U/A, r/R, and R/S. When r/R = 1, U/A = -1; thus, this point should be the same on all the curves, irrespective of R/S. Rewrite the equation in the form:

(U/A) = (exp(-R/S (r/R -1)) -1)2 -1

You can explore the behavior in the region r close to R by expanding in a Taylor series in (1-r/R):

(U/A) ~ ((1 - (R/S)(1-r/R)) -1)2 -1 = -1 + (R/S)2(1-r/R)2

At very small r/R, you approach

(U/A) ~ exp (2R/S)

At very large r/R, you approach

(U/A) ~ -2 exp(-R/S (r/R))

Thanks.
 

Related to Sketching this function for potential energy of two atoms in a molecule

1. What is potential energy in a molecule?

Potential energy in a molecule is the stored energy that a molecule possesses due to its position and arrangement of atoms. It is a form of energy that can be released or absorbed during chemical reactions.

2. How is potential energy calculated for two atoms in a molecule?

The potential energy of two atoms in a molecule can be calculated using the equation E = k(Q1Q2)/r, where k is the Coulomb constant, Q1 and Q2 are the charges of the two atoms, and r is the distance between them.

3. How does potential energy affect the stability of a molecule?

The potential energy of a molecule determines its stability. A lower potential energy indicates a more stable molecule, as the atoms are held together more tightly. A higher potential energy indicates a less stable molecule, as the atoms are more likely to separate.

4. Can potential energy be changed in a molecule?

Yes, the potential energy of a molecule can be changed. It can be altered through changes in the distance between atoms, as well as changes in the charges of the atoms. Chemical reactions can also change the potential energy of a molecule.

5. How is potential energy represented in a sketch for two atoms in a molecule?

In a sketch for potential energy of two atoms in a molecule, the y-axis represents the potential energy while the x-axis represents the distance between the two atoms. The curve of the graph shows how the potential energy changes as the distance between the atoms changes.

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