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Use a computer to sum the rotational partition function (equation 6.30) algebraically, keeping terms through j = 6. Then calculate the average energy and the heat capacity. Plot the heat capacity for values ofkT/ ranging from 0 to 3. Have you kept enough terms in Z to give accurate results within this temperature range?

Short Answer

Expert verified

The average energy is E=j(j+1)(2j+1)e-j(j+1)/t(2j+1)e-j(j+1)/tand

The average heat capacity is C=k(2j+1)e-j(j+1)/tj2(j+1)2(2j+1)e-j(j+1)/tt(2j+1)e-j(j+1)/t2-kj(j+1)(2j+1)e-j(j+1)/t2t(2j+1)e-j(j+1)/t2

Step by step solution

01

Given information

Heat capacity for values kT/ranging from 0 to 3.

j = 6

02

Explanation

Rotational partition function is:

Z=(2j+1)e-j(j+1)/kT

Let,

t=kT

Therefore,

Z=(2j+1)e-j(j+1)/t(1)

The average energy is:

E=-1ZZ(2)

By chain rule:

Z=ZttZ=Ztt-1

But =1/kT, hence=1/thence,

Z=t(2j+1)e-j(j+1)/tt1t-1Z=j(j+1)(2j+1)e-j(j+1)/t1t2-1t2-1Z=-j(j+1)(2j+1)e-j(j+1)/t

Substitute into (2)

role="math" localid="1647453692824" E=j(j+1)(2j+1)e-j(j+1)/t(2j+1)e-j(j+1)/t(3)

The partial derivative of total energy with respect to temperature equals the heat capacity, which is:

C=ETC=kEt

Substitute from (3):

role="math" localid="1647454207193" C=ktj(j+1)(2j+1)e-j(j+1)/t(2j+1)e-j(j+1)/tC=k(2j+1)e-j(j+1)/tj2(j+1)2(2j+1)e-j(j+1)/tt(2j+1)e-j(j+1)/t2-kj(j+1)(2j+1)e-j(j+1)/t2t(2j+1)e-j(j+1)/t2

03

Explanation

Using python to plot a function between t and C/k. The code is given below:

The graph is:

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