Abstract
A study of the arrangement of water molecules between charged surfaces was presented using Monte Carlo simulations. The molecular water used the fluctuating charge (FQ) and four- point transferable intermolecular potential (TIP4P), thereby constituting the water model TIP4P-FQ. The results showed that the orientation of water molecules was similar to previous findings, with the oxygen atoms pointing to the positively charged surface (oxygen-down) and the hydrogen atom pointing to the negatively charged surface (oxygen-up).
Original language | English |
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Pages (from-to) | 337-345 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 117 |
Issue number | 1 |
DOIs | |
State | Published - Jul 1 2002 |