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partition function of H2O at 1500 K

partition function of H2O at 1500 K - Chemistry Forum

partition function of H2O at 1500 K - Chemistry Forum. Discuss chemical reactions, chemistry.


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Old 09-21-2003, 07:39 AM
Allan Adler
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Default partition function of H2O at 1500 K




On p.684 of my copy of Atkins' book, Physical Chemistry (revised and corrected
printing, (c) 1978), he computes the partition function of water at 1 atm and
1500 K. I just worked through this example and noticed that he seems to have
done it incorrectly, namely he omitted a factor of sqrt(pi) in the rotational
partition function. More precisely, he quotes the formula incorrectly, leaving
out the factor sqrt(pi), and then correctly computes his answer from the
incorrect formula. This affects the full partition function by the same
factor and the final computation of F_0(1500) on the following page,
which was the reason for computing the partition function, is
therefore off by the gas constant times the natural log of sqrt(pi).

I think there was at least one more edition of Atkins' book since then.
Was this example still done in the newer edition(s) and was the error
corrected?

Ignorantly,
Allan Adler
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