Based on a typical bond energy of 150 kBT and a typical bond length of 0.15 nm, use dimensional analysis to estimate the frequency of vibration of covalent bonds.
(a) Based on a typical bond energy of 150 kBT and a typical
bond length of 0.15 nm, use dimensional analysis to
estimate the frequency of vibration of covalent bonds.
(b) Assume that the Lennard–Jones potential given by
V(r)=a/r^12 -b/r^6
describes a covalent bond (though real covalent bonds are
more appropriately described by alternatives such as the
Morse potential that are not as convenient analytically).
Using the typical bond energy as the depth of the potential
and the typical bond length as its equilibrium position, find
the parameters a and b. Do a Taylor expansion around this
equilibrium position to determine the effective spring
constant and the resulting typical frequency of vibration.
(c) Based on your results from (a) and (b), estimate the time
step required to do a
protein dynamics.
Trending now
This is a popular solution!
Step by step
Solved in 3 steps with 3 images
