Calculation of the melting point of NaCl by molecular simulation.
No === We report a numerical calculation of the melting point of NaCl. The solid-liquid transition was located by determining the point where the chemical potentials of the solid and liquid phases intersect. To compute these chemical potentials, we made use of free energy calculations. For the solid...
| Main Authors: | , , |
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| Language: | en |
| Published: |
2009
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| Subjects: | |
| Online Access: | http://hdl.handle.net/10454/3975 |