From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Thu Feb 08 2007 - 13:13:52 CST
Using a box size of 24.8616 A, and 512 water molecules, I obtain a density of 0.996723749 g/cc for water.
1 water molecule is 18.014 g/mol, and Avogadro's number is 6.022 x 10^23/mol. I get a box having a volume of 1.5366943 x 10^20 cm^3, and a mass of water 1.5316588 x 10^-20 g. Mass/density = 0.996723749 g/cc, or a little less than that at 277 K.
Oh to be a wet chemist!
Richard L. Wood, Ph. D.
Cockeysville, MD 21030
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