Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures
Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4PEw water models and the modified TraPPE model for DME were applied. Our principal focus w...
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| Published in: | Condensed Matter Physics |
|---|---|
| Date: | 2017 |
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2017
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/157010 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures / J. Gujt, H. Dominguez, S. Sokolowski, O. Pizio // Condensed Matter Physics. — 2017. — Т. 20, № 3. — С. 33603: 1–14. — Бібліогр.: 66 назв. — англ. |