problem_set4 - 10.34 Fall 2006 Homework #4 Due Date:...

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Unformatted text preview: 10.34 Fall 2006 Homework #4 Due Date: Monday, Oct. 2 nd , 2006 7 PM (Turn in hard copies in class or at the TA help session Monday evening.) Problem 1: Do problem 3.A.3 in Beerss textbook. Problem 2: The heat capacity of many organic molecules is dominated by the torsions or internal-rotations about C-C single bonds, but unfortunately this is a bit tricky to calculate. Often a good approach is to first find the eigenvalues {E} of this 1-D Schrdinger equation: + V h 2 d 2 ( ) ( ) = E ( ) Eq.(1) 8 2 I d 2 where , which runs from 0 to 2 , is the dihedral angle between substituents on the two carbon atoms making the single bond, V ( ) is the potential energy associated with this torsional motion, and I is its effective reduced moment of inertia. With the { E }, one can then compute the heat capacity using the statistical-mechanics formula C T = k T 2 Eq.(2) ( ) ( B E j exp ( E j k T 2 E j exp ( E j k T B ) where: E = B ) and E 2 = exp ( E k T exp ( j...
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This note was uploaded on 11/27/2011 for the course CHEMICAL E 10.302 taught by Professor Clarkcolton during the Fall '04 term at MIT.

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problem_set4 - 10.34 Fall 2006 Homework #4 Due Date:...

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