How parameters a and b affect equilibrium size of molecule

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Reference no: EM131604392

Question: The Lennard-Jones model predicts the potential energy V (r) of a two-atom molecule as a function of the distance r between the atoms to be

V(r) = (A/r12) - (B/r6), r > 0

where A and B are positive constants.

(a) Evaluate limr→0+ V (r), and interpret your answer.

(b) Find the critical point of V (r). Is it a local maximum or local minimum?

(c) The inter-atomic force is given by F(r) = -V'(r). At what distance r is the inter-atomic force zero? (This is called the equilibrium size of the molecule.)

(d) Describe how the parameters A and B affect the equilibrium size of the molecule.

Reference no: EM131604392

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