Buchumschlag

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

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 models together with two united atom models for DMF [Chalaris M., Sa...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Condensed Matter Physics
Datum:	2017
Hauptverfasser:	Dominguez, H., Pizio, O.
Format:	Artikel
Sprache:	Englisch
Veröffentlicht:	Інститут фізики конденсованих систем НАН України 2017
Online Zugang:	https://nasplib.isofts.kiev.ua/handle/123456789/157025
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 the microscopic structure, thermodynamic, dynamic and dielectric properties of water-dimethyl formamide model mixtures. Molecular dynamics simulation results / H. Dominguez, O. Pizio // Condensed Matter Physics. — 2017. — Т. 20, № 4. — С. 43602: 1–15 . — Бібліогр.: 61 назв. — англ.

Institution

Digital Library of Periodicals of National Academy of Sciences of Ukraine

Ähnliche Einträge

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)

Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields
von: Cruz Sanchez, M, et al.
Veröffentlicht: (2019)

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)

Picosecond dynamics of molecular entities in lithium salt solutions in dimethyl sulfoxide, propylene carbonate, and dimethyl carbonate
von: M. I. Gorobets, et al.
Veröffentlicht: (2018)

Picosecond dynamics of molecular entities in lithium salt solutions in dimethyl sulfoxide, propylene carbonate, and dimethyl carbonate
von: M. I. Gorobets, et al.
Veröffentlicht: (2018)

Molecular dynamics simulation of thermodynamic and transport properties of H-bonded low-temperature substances
von: Tychengulova, A., et al.
Veröffentlicht: (2015)

Molecular dynamics simulation of thermodynamic and transport properties of H-bonded low-temperature substances
von: A. Tychengulova, et al.
Veröffentlicht: (2015)

Microscopic dynamics in liquid binary alloys: orbital-free \textsl{ab-initio} molecular dynamics studies
von: González, D.J., et al.
Veröffentlicht: (2008)

New optimized algorithms for molecular dynamics simulations
von: Omelyan, I.P., et al.
Veröffentlicht: (2002)

Simulation of reverse micelles by molecular dynamics method
von: A. V. Nevidimov, et al.
Veröffentlicht: (2011)

Atomic dynamics of alumina melt: A molecular dynamics simulation study
von: Jahn, S., et al.
Veröffentlicht: (2008)

Concentration dependences of the dynamic properties of NaCl aqueous solution on the basis of the results of molecular dynamics and quasi-elastic neutron scattering researches
von: N. O. Atamas, et al.
Veröffentlicht: (2015)

Concentration dependences of the dynamic properties of NaCl aqueous solution on the basis of the results of molecular dynamics and quasi-elastic neutron scattering researches
von: N. A. Atamas, et al.
Veröffentlicht: (2015)

Novel morphologies for laterally decorated metaparticles: molecular dynamics simulation
von: Slyusarchuk, A.Y., et al.
Veröffentlicht: (2014)

Molecular Dynamics simulations of supercritical ammonia and metal-ammonia solutions
von: Hannongbua, S., et al.
Veröffentlicht: (2000)

Interaction of carbon nanotubes and S2 molecules: molecular-dynamics simulation
von: D. I. Kushel, et al.
Veröffentlicht: (2011)

Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results Author(s):
von: Hribar-Lee, B., et al.
Veröffentlicht: (2013)

A the study of thermodynamic and elastic properties of nanodiamond monocrystals by the method of classical molecular dynamics
von: V. I. Kushch
Veröffentlicht: (2022)

Molecular dynamics simulations of ultrathin water film confined between flat diamond plates
von: Khomenko, A.V., et al.
Veröffentlicht: (2008)

Car-Parrinello molecular dynamics simulations of Na⁺–Cl⁻ ion pair in liquid water
von: Khalack, J.M., et al.
Veröffentlicht: (2004)

Thermodynamic and dynamic dielectric properties of one-dimensional hydrogen bonded ferroelectric of PbHPO₄-type
von: Zachek, I.R., et al.
Veröffentlicht: (2014)

New technique of identifying the hierarchy of dynamic domains in proteins using a method of molecular dynamics simulations
von: Yesylevskyy, S.O.
Veröffentlicht: (2010)

Hydration change on complexation of aromatic ligands with DNA: molecular dynamics simulations
von: Kostjukov, V.V., et al.
Veröffentlicht: (2010)

Membrane separation study for methane-hydrogen gas mixtures by molecular simulations
von: Kovács, T., et al.
Veröffentlicht: (2017)

Positively and negatively hydrated counterions in molecular dynamics simulations of DNA double helix
von: S. Perepelytsya
Veröffentlicht: (2020)

Positively and negatively hydrated counterions in molecular dynamics simulations of DNA double helix
von: S. Perepelytsya
Veröffentlicht: (2020)

Wavevector- and frequency-dependent shear viscosity of water: the modified collective mode approach and molecular dynamics calculations
von: Omelyan, I.P., et al.
Veröffentlicht: (2005)

Thermodynamic Analysis of Oxygen Gasification of Water-Graphite Mixtures
von: O. V. Snihur, et al.
Veröffentlicht: (2014)

Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals
von: Bhuiyan, G.M., et al.
Veröffentlicht: (2012)

On the heterophase liquid thermodynamics and cooperative dynamics
von: Bakai, O.S.
Veröffentlicht: (2010)

Thermodynamic properties of polydisperse fluid mixtures
von: Leroch, S., et al.
Veröffentlicht: (2004)

Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps
von: S. O. Yesylevskyy, et al.
Veröffentlicht: (2012)

Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps
von: Yesylevskyy, S.O., et al.
Veröffentlicht: (2012)

Features of near-surface layer at monomolecular isotropic adsorption: Nonequilibrium molecular dynamics simulation
von: E. G. Manoilov, et al.
Veröffentlicht: (2017)

Features of near-surface layer at monomolecular isotropic adsorption: Nonequilibrium molecular dynamics simulation
von: E. H. Manoilov, et al.
Veröffentlicht: (2017)

Photo-controllable percolation of decorated nanoparticles in a nanopore: molecular dynamics simulation study
von: J. M. Ilnytskyi, et al.
Veröffentlicht: (2016)

Molecular dynamics and phase transitions behavior of binary mixtures of fatty acids and cetyltrimethylammonium bromide as studied via Davydov splitting of molecular vibrational modes
von: T. A. Gavrilko, et al.
Veröffentlicht: (2013)

Molecular dynamics and phase transitions behavior of binary mixtures of fatty acids and cetyltrimethylammonium bromide as studied via Davydov splitting of molecular vibrational modes
von: T. A. Gavrilko, et al.
Veröffentlicht: (2013)

Collective excitations in dynamics of liquids: a «toy» dynamical model for binary mixtures
von: Bryk, T., et al.
Veröffentlicht: (2007)