Related papers: Molecular Properties of Butan-1-ol With Acetic Aci…
Relative permittivities at 1 MHz, $\varepsilon_{\text{r}}$, at 0.1 MPa and (293.15-303.15) K and refractive indices, $n_{\text{D}}$, at similar conditions have been measured for the alkan-1-ol (methanol, propan-1-ol, butan-1-ol, pentan-1-ol…
Densities ($\rho$), speeds of sound ($c$), relative permittivities at 1 MHz ($\varepsilon_{\text{r}}$) and refractive indices at the sodium D-line ($n_{\text{D}}$) at $T$ = (293.15 K to 303.15 K) and $p$ = 0.1 MPa are reported for binary…
Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…
Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated based on a whole set of thermophysical properties available in the literature: excess molar functions (enthalpies,…
The molecular dynamics in the ambient-pressure solid phase of (1,1,2)-trichloroethane is studied by means of broadband dielectric spectroscopy and molecular dynamics simulations. The dielectric spectra of polycrystalline samples obtained by…
Values of density ($\rho$), speed of sound ($c$) and refractive index ($n_{\text{D}}$) for N,N-dimethylformamide (DMF) + N-propylpropan-1-amine (DPA) or + butan-1-amine (BA) mixtures at (293.15-303.15) K, and for DMF + N-butylbutan-1-amine…
The complex electric modulus and the ac conductivity of carbon nanoonion/polyaniline composites were studied from 1 mHz to 1 MHz at isothermal conditions ranging from 15 K to room temperature. The temperature dependence of the electric…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Relative permittivities, $\varepsilon_{r}$, and refractive indixes, $n_{D}$, have been measured at (288.15-308.15) K and (293.15-303.15) K, respectively, for the mixtures 1-pentanol + octane, or + dibutyl ether and dibutyl ether + octane.…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
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 TIP4P-Ew water models and the…
Complex electrical permittivity measurements in (1-x)[Pb(Mg1/3 Nb2/3)O3]-xPbTiO3 ceramics for 0.10 x 0.40 were performed in the frequency and temperature range from 1 kHz to 100 kHz and from 15 to 600 K, respectively. Unexpected dielectric…
Isothermal crystallization of the mono-hydroxyl alcohol n-butanol was studied with dielectric spectroscopy in real time. The crystallization was carried out using two different sample cells at 15 temperatures between 120 K and 134 K. For…
The optical, elastic anisotropic and thermodynamic properties of TiN in the NaCl (B1) structure are analyzed in detail in the temperature range from 0 to 2000 K and the pressure range from 0 to 20 GPa. From the calculated dielectric…
We report a thorough dielectric characterization of the alpha relaxation of glass forming glycerol with varying additions of LiCl. Nine salt concentrations from 0.1 - 20 mol% are investigated in a frequency range of 20 Hz - 3 GHz and…
Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…
1-Alkanol + alkanenitrile systems have been studied by means of the DISQUAC, ERAS and UNIFAC (Dortmund) models. DISQUAC and ERAS parameters for the alkanol/nitrile interactions are reported. DISQUAC describes a whole set of thermodynamic…
Temperature dependent hydrogen bond energetics and dynamical features, such as the diffusion coefficient and reorientational times, have been determined for ethanol-water mixtures with 10, 20 and 30 mol % of ethanol. Concerning pairwise…
Relative permittivities at 1 MHz, $\varepsilon_{\text{r}}$, and at (293.15-303.15) K, are reported for the binary systems N,N-dimethylformamide (DMF) + N-propylpropan-1-amine (DPA), + N-butylbutan-1-amine (DBA), + butan-1-amine (BA) or +…
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of…