Перегляд за автором "Dominguez, H."

Результати 1-6 з 6

Computational studies on the behaviour of anionic and nonionic surfactants at the SiO₂ (silicon dioxide)/water interface

Nunez-Rojas, E.; Dominguez, H. (Condensed Matter Physics, 2016)

Molecular dynamics simulations to study the behaviour of anionic (Sodium Dodecylsulfate, SDS) and nonionic (Monooleate of Sorbitan, SPAN80) surfactants close to a SiO₂ (silicon dioxide) surface were carried out. Simulations ...
Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures

Gujt, J.; Dominguez, H.; Sokolowski, S.; Pizio, O. (Condensed Matter Physics, 2017)

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 ...
Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields

Cruz Sanchez, M; Dominguez, H.; Pizio, O. (Condensed Matter Physics, 2019)

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united ...
On the composition dependence of the microscopic structure, thermodynamic, dynamic and dielectric properties of water-dimethyl formamide model mixtures. Molecular dynamics simulation results

Dominguez, H.; Pizio, O. (Condensed Matter Physics, 2017)

Isothermal-isobaric molecular dynamics simulations have been performed to examine an ample set of properties of the model water-N,N-dimethylformamide (DMF) mixture as a function of composition. The SPC-E and TIP4P-Ew water ...
On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results

Galicia-Andrés, E.; Dominguez, H.; Pusztai, L.; Pizio, O. (Condensed Matter Physics, 2015)

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 ...
Temperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results

Galicia-Andrés, E.; Dominguez, H.; Pizio, O. (Condensed Matter Physics, 2015)

We have investigated temperature trends of the microscopic structure of the SPC/E and TIP4P-Ew water models in terms of the pair distribution functions, coordination numbers, the average number of hydrogen bonds, the ...

Результати 1-6 з 6

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Перегляд за автором "Dominguez, H."

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