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

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Homework Help Overview

The discussion revolves around sketching the potential energy function of two atoms in a molecule, specifically using the Morse function. The original poster expresses difficulty in graphing the function defined by U(r) = A((e^{(R-r)/(S)}-1)^2 - 1) due to the complexity introduced by the parameters involved.

Discussion Character

  • Exploratory, Conceptual clarification, Mathematical reasoning

Approaches and Questions Raised

  • Participants discuss the transformation of the equation and the implications of the parameters R and S. The original poster attempts to simplify the expression but finds it challenging to derive a meaningful graph. Others suggest plotting U/A as a function of r/R with R/S as a parameter to visualize the function better.

Discussion Status

Some participants have provided guidance on using dimensionless variables to facilitate the graphing process. There is an ongoing exploration of the function's behavior at various limits, but no consensus has been reached on the best approach to sketch the function.

Contextual Notes

The original poster indicates that S is much smaller than R, which may influence the behavior of the function. There is also mention of the need to display all information on a single graph, highlighting the complexity of the problem.

Nano-Passion
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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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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.
 
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. =/
 
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))
 
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.
 

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