On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-methanol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient conditions. The SPC/E and TIP4P/Ew water models are used in combinatio...
Gespeichert in:
| Veröffentlicht in: | Condensed Matter Physics |
|---|---|
| Datum: | 2015 |
| Hauptverfasser: | Galicia-Andrés, E., Dominguez, H., Pusztai, L., Pizio, O. |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2015
|
| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/155275 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results / E. Galicia-Andrés, H. Dominguez, L. Pusztai, O. Pizio // Condensed Matter Physics. — 2015. — Т. 18, № 4. — С. 43602: 1–14. — Бібліогр.: 46 назв. — англ. |
Institution
Digital Library of Periodicals of National Academy of Sciences of UkraineÄhnliche Einträge
-
On the composition dependence of the microscopic structure, thermodynamic, dynamic and dielectric properties of water-dimethyl formamide model mixtures. Molecular dynamics simulation results
von: Dominguez, H., et al.
Veröffentlicht: (2017) -
Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields
von: Cruz Sanchez, M, et al.
Veröffentlicht: (2019) -
Temperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results
von: Galicia-Andrés, E., et al.
Veröffentlicht: (2015) -
Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures
von: Gujt, J., et al.
Veröffentlicht: (2017) -
On the properties of a single OPLS-UA model curcumin molecule in water, methanol and dimethyl sulfoxide. Molecular dynamics computer simulation results
von: Patsahan, T., et al.
Veröffentlicht: (2017)