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| 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 [Only registered users see links. ] ************************************************** ************************** * * * Disclaimer: I am a guest and *not* a member of the MIT Artificial * * Intelligence Lab. My actions and comments do not reflect * * in any way on MIT. Moreover, I am nowhere near the Boston * * metropolitan area. * * * ************************************************** ************************** |
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| 1500 , function , h2o , partition |
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