NaCl水溶液における相転移の分子動力学シミュレーション
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概要
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The boiling point of the sodium chloride aqueous solution is examined by molecular dynamics simulation. The boiling point is observed by the internal energy and volume under NTP ensemble simulation at 1 atm. The numbers of molecules in the basic cell are as follows: 200 SPCE water and 20 NaCl. The effect of this salt is found to be too large on the boiling point.
- 2010-06-01