On the properties of methanolic NaCl solution by molecular dynamics simulations
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields for methanol are involved. Concerning ion solutes we used t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2020-05-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.5488/CMP.23.23602 |