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Quantum kinetic theory of a Bose-Einstein gas confined in a lattice
(American Physical Society, 2005-12)
We extend our earlier work on the nonequilibrium dynamics of a Bose-Einstein condensate initially loaded into a one-dimensional optical lattice. From the two-particle-irreducible (2PI) closed-time-path (CTP) effective ...
Modeling ammonia oxidation over a Pt (533) surface
(Elsevier Science, 2012-01)
We present a new reaction model for ammonia oxidation on a Pt (533) surface and perform numerical simulations using mean field equations. Kinetic parameters were taken from experiments and Density Functional Theory (DFT) ...
Hard versus soft dynamics for adsorption-desorption kinetics: Exact results in one-dimension
(American Physical Society, 2009-11-12)
The adsorption-desorption kinetics is discussed in the framework of the kinetic lattice-gas model. The master equation formalism has been introduced to describe the evolution of the system, where the transition probabilities ...
Study of the Extraction Kinetics of Lithium by Leaching β-Spodumene with Hydrofluoric Acid
(Molecular Diversity Preservation International, 2016-09)
Parameters affecting the kinetics of the dissolution of β-spodumene with hydrofluoric acid have been investigated. The experimental tests were carried out in a closed vessel. The influence of several parameters, such as ...
Theoretical kinetics study of the reactions CHClBr + HBr ⇄ CH2ClBr + Br, CCl2Br + HBr ⇄ CHCl2Br + Br and CClBr2 + HBr ⇄ CHClBr2 + Br
(Elsevier Science, 2018-03)
The kinetics of CHClBr + HBr ⇄ CH2ClBr + Br (1, -1), CCl2Br + HBr ⇄ CHCl2Br + Br (2, -2) and CClBr2 + HBr ⇄ CHClBr2 + Br (3, -3) reactions at 293–787 K has been studied by using the canonical transition state theory with ...
Theoretical calculations of the kinetics of the oh reaction with 2-methyl-2-propen-1-ol and its alkene analogue
(Royal Society of Chemistry, 2014-04)
In this work, the first and rate determining steps on the mechanism of the OH addition to 2-methyl-2-propen-1-ol (MPO221) and methylpropene (M2) have been studied at the DFT level, employing the BHandHLYP functional and ...
Surface super-roughening driven by spatiotemporally correlated noise
(IOP Publishing, 2020-03)
We study the simple, linear, Edwards-Wilkinson equation that describes surface growth governed by height diffusion in the presence of spatiotemporally power-law decaying correlated noise. We analytically show that the ...
Determining rate coefficients for ion adsorption at the solid/water interface: Better from desorption rate than from adsorption rate
(Royal Society of Chemistry, 2020-04-23)
One of the most common approaches in the adsorption kinetic literature is to compare the fitting performance of several empirical or non-empirical equations (pseudo-first order, pseudo-second order, Elovich, parabolic ...
A kinetic approach to assess oxidative metabolism related features in the bivalve Mya arenaria
(Springer, 2012-12)
Electron paramagnetic resonance uses the resonant microwave radiation absorption of paramagnetic substances to detect highly reactive and, therefore, shortlived oxygen and nitrogen centered radicals. Previously, steady ...
Twisted-light-induced optical transitions in semiconductors: Free-carrier quantum kinetics
(American Physical Society, 2010-09)
We theoretically investigate the interband transitions and quantum kinetics induced by light carrying orbital angular momentum, or twisted light, in bulk semiconductors. We pose the problem in terms of the Heisenberg ...