نتایج جستجو برای: chemical equilibrium

تعداد نتایج: 499294  

2002
A. S. Botvina

It is shown that the chemical equilibrium condition of the system can be unambiguously identified by analyzing the isospin evolution of fragments produced in nuclear multifragmentation process. As far as the chemical equilibrium is established, the isotope production can be used for finding properties of nuclear matter and fragments in the freeze-out volume, for example, via the isoscaling phen...

Nanocomposite of polyaniline (PAn) containing nanometre size Sb2O3 was prepared in aqueous media in situ chemical oxidative polymerization method at room temperature in the presence of hydroxypropylcellulose (HPC) as a surfactant. The ability of product to removal of lead ions from aqueous solution was studied. The chemical structure and morphology were studied by fourier transform infrared (FT...

Journal: :Journal of chemical theory and computation 2014
Tamar Zelovich Leeor Kronik Oded Hod

We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville-von-Neumann equation approach of Sánchez et al. [J. Chem. Phys. 2006, 124, 214708] and Subotnik et al. [J. Chem. Phys. 2009, 130, 144105]. A key ingredient of our approa...

Journal: :Physical chemistry chemical physics : PCCP 2010
D Bedeaux I Pagonabarraga J M Ortiz de Zárate J V Sengers S Kjelstrup

We show how the law of mass action can be derived from a thermodynamic basis, in the presence of temperature gradients, chemical potential gradients and hydrodynamic flow. The solution gives the law of mass action for the forward and the reverse contributions to the net chemical reaction. In addition we derive the fluctuation-dissipation theorem for the fluctuating contributions to the reaction...

2004
P. A. Pessôa Filho R. S. Mohamed

Mixtures containing compounds that undergo hydrogen bonding show large deviations from ideal behavior. These deviations can be accounted for through chemical theory, according to which the formation of a hydrogen bond can be treated as a chemical reaction. This chemical equilibrium needs to be taken into account when applying stability criteria and carrying out phase equilibrium calculations. I...

Journal: :Proceedings of the National Academy of Sciences 1969

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