PartFunc

PartFunc - Partition Functions = t + r + v + e q/NA = (qt...

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Colby College Partition Functions ε = ε t + ε r + ε v + ε e q/N A = (q t /N A ) q r q v q e q t 2245 10 28 10 29 V/L t /N A 2245 10 6 – 10 7 q r 2245 10 – 100 q v 2245 1 – 10 ε r = B ~ hc J(J+1) g J = 2J+1 ε v = h ν o ( v + 1 / 2 ) Vibration: q v = v =0 e - h ν o ( v + 1 / 2 ) /kT = e - h ν o /2kT v =0 e - h ν o v /kT let a = e –h ν o /kT then e – h ν o v /kT = a v 1 + a + a 2 + a 3 + . .. = 1 1– a q v = e - h ν o /2kT 1 – e - h ν o /kT q v = q mode1 q mode2 q mode3 .... q v = 1 1 – e h ν o /kT = 1 1 – e hc ν ~ o /kT at T c kT hc = 207.2 cm -1 q v = 1 1 – e ν ~ o /207.2 cm -1 Rotation: q r = J=0 (2J+1) e B ~ hc J(J+1)
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This document was uploaded on 02/22/2012.

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