Search results for "Arrhenius equation"

Diffusion of oxygen in nickel: A variable charge molecular dynamics study

2010

Abstract Variable charge molecular dynamics have been performed to study the diffusion mechanisms of oxygen atoms (O) in nickel (Ni) in the temperature range 950 K–1600 K. It is observed that oxygen does not diffuse via jumps of oxygen through interstitial sites but via a vacancy diffusion mechanism. The oxygen diffusivity can be well described by an Arrhenius law over the temperature range considered. The oxygen diffusion coefficient has been analysed and indicates a value of E a = 1.99 eV for the activation energy and D 0 = 39.2 cm 2 s − 1 for the pre-exponential factor. Our numerical results were compared with a compilation of experimental and theoretical studies, and exhibit a good agre…

Role of vitreous matrix on the optical activity of Ge-doped silica

2003

Abstract We report an experimental study on the relationship between the optical activity of Ge-oxygen deficient centers and dynamic properties and conformational heterogeneity of vitreous matrix in silica. We focus our attention on the absorption band at ∼5.2 eV (B 2β ) and on the two related emissions at ∼4.2 eV (α E ) and at ∼3.1 eV (β). From the temperature dependence of B 2β band we estimate a mean energy value of 26 meV for local vibrational modes coupled to the electronic transition, suggesting that the chromophore and its surrounding have access to low frequency dynamics. From the thermal behavior of the two emissions we distinguish the two competitive relaxation processes from the …

Space charge and induced dipole relaxation in solid electrolytes

1996

The space charge relaxation and induced dipole relaxation in solid electrolytes is discussed. The di-electric responses of these relaxations gives a satisfactory fit to the universal conductivity behaviours in the frequency range from DC to infrared.

Reorientations and translations in a fragile glass-former: magnetic resonance studies of meta-fluoroaniline

1999

Abstract The rotational dynamics in supercooled liquid and glassy meta-fluoroaniline was studied using proton and fluorine spin-lattice relaxation times. It is shown that while proton relaxation is dominated by homonuclear relaxation, for fluorine heteronuclear relaxation prevails. The results could be well described using a distribution of correlation times. The mean correlation times show pronounced deviations from the simple Arrhenius law. In addition translational self-diffusion coefficients were measured for T>200 K using a static magnetic field gradient technique.

The Electrical Properties of Ba1-ySryZrxTi1-xO3Solid Solution

2011

A lead-free solid solution Ba0.80Sr0.20Ti0.75Zr0.25O3 was prepared by a conventional technology. The structure and morphology of investgated samples were characterised by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The studies of electric conductivity were performed depending on temperature and frequency of electric measuring field. The activation energy was calculated from the Arrhenius plots.

Dependence of O2 diffusion dynamics on pressure and temperature in silica nanoparticles

2013

An experimental study of the molecular O2 diffusion process in high purity non-porous silica nanoparticles having 50 m2/g BET specific surface and 20 nm average radius was carried out in the temperature range from 127 to 177 °C at O2 pressure in the range from 0.2 to 66 bar. The study was performed by measuring the volume average interstitial O2 concentration by a Raman and photoluminescence technique using a 1,064 nm excitation laser to detect the singlet to triplet emission at 1,272 nm of the molecular oxygen in silica. A dependence of the diffusion kinetics on the O2 absolute pressure, in addition to temperature dependence, was found. The kinetics can be fit by the solution of Fick’s dif…

Photoconductivity in the columnar phases of a glassy discotic twin

1995

Energy Barrier: Focus on the Essential: Extracting the Decisive Energy Barrier of a Complex Process (Adv. Mater. Interfaces 20/2019)

2019

A theory ofnonverticaltriplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from π,π* triplet donors to 1,3,5…

2004

Triplet energy transfer (TET) from aromatic donors to 1,3,5,7-cyclooctatetraene (COT) is an extreme case of "nonvertical" behavior, where the transfer rate for low-energy donors is considerably faster than that predicted for a thermally activated (Arrhenius) process. To explain the anomalous TET of COT and other molecules, a new theoretical model based on transition state theory for nonadiabatic processes is proposed here, which makes use of the adiabatic potential energy surfaces (PES) of reactants and products, as computed from high-level quantum mechanical methods, and a nonadiabatic transfer rate constant. It is shown that the rate of transfer depends on a geometrical distortion paramet…

Broadband dielectric spectroscopy of 0.4PMN-0.3PSN-0.3PZN ceramics

2007

In this paper, results of the broadband dielectric spectroscopy of 0.4PbMg1/3Nb2/3O3-0.3PbZn1/3Nb2/3O3-0.3PbSc1/2Nb1/2O3(0.4PMN-0.3PZN-0.3PSN) are presented. Dielectric spectra of these solutions were investigated in a broad frequency range from 20 Hz to 100 GHz. Very strong and broad dielectric relaxation was analyzed in terms of distribution of relaxations times, using Tichonov regularization method. It revealed slowing down of the longest relaxation and the mean relaxation times in the agreement with the Vogel-Fulcher law and the Arrhenius law, respectively.