Answered step by step
Verified Expert Solution
Question
1 Approved Answer
I need help with homework please. 3. (20 points total). Consider a molecule with two dihedral angles. For simplicity, suppose each dihedral angle can take
I need help with homework please.
3. (20 points total). Consider a molecule with two dihedral angles. For simplicity, suppose each dihedral angle can take on only 6 values: 0 = 0, 120, 240 (eclipsed, high energy angles) and 0 = 60, 180, 300 (staggered, low energy angles). The amplitude of the dihedral energy function, Kq, is 10 kJ/mol, which means that the energies of the six angles are Uhigh = 10 kJ/mole for the three high energy angles, and Ulow = 0 for the three low energy angles. a) (5 points). How many configurations are possible for the combined set of two dihedral angles? b) (5 points). Make a list of the possible configurational energies that the molecule can achieve 5 (Hint: there are only three). What is the lowest energy configuration for the molecule? What is the highest energy configuration for the molecule? c) (5 points). How many configurations have the highest energy? How many have the middle energy? How many have the lowest energy? d) (5 points). Write an expression for the partition function for this system, and evaluate it at T = 300 K. Hint: each configurational energy level contributes separately to the partition function, even if that energy level occurs more than once. The number of levels having the identical energy is called the degeneracy of that level. e) (5 points). Write an expression for the probability that the molecule will be found at the lowest energy. Do the same for the middle energy and highest energy. Evaluate these probabilities at T = 300 KStep by Step Solution
There are 3 Steps involved in it
Step: 1
Get Instant Access to Expert-Tailored Solutions
See step-by-step solutions with expert insights and AI powered tools for academic success
Step: 2
Step: 3
Ace Your Homework with AI
Get the answers you need in no time with our AI-driven, step-by-step assistance
Get Started