On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results

• Дата: 2015
• Автори: Galicia-Andrés, E., Dominguez, H., Pusztai, L., Pizio, O.
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики конденсованих систем НАН України 2015
• Назва видання: Condensed Matter Physics
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/155275
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: 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.

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...