arXiv subjects

B. Zilbergleyt

Publications and source records attributed to B. Zilbergleyt.

21 records · Page 2Linked to original sources

arXiv2002

Chaotic Temperatures vs Coefficients of Thermodynamic Activity: The Advantage of the Method of Chemical Dynamics

The article compares traditional coefficients of thermodynamic activity as a parameter related to individual chemical species to newly introduced reduced chaotic temperatures as system characteristics, both regarding their usage in thermodynamic simulation of open chemical systems. Logical and mathematical backgrounds of both approaches are discussed. It is shown that usage of reduced chaotic temperatures and the Method of Chemical Dynamics to calculate chemical and phase composition in open chemical systems is much less costly, easier to perform and potentially leads to better precision.

physics.chem-ph↗

arXiv2000

Dynamics of Chemical Reactions: Open Equilibrium

Dynamic properties of chemical reactions and appropriate relationships for open chemical equilibrium are discussed in approach of the chemical dynamics. New way to calculate composition of chemical systems in open equilibrium, based on the amended equation for the change of Gibbs' free energy, was exemplified using reactions of cobalt double oxides with sulfur. Evaluated this way equilibrium reaction extents had a good match with values found by direct thermodynamic simulation. The developed method allows us to perform analysis of complex chemical systems without coefficients of thermodynamic activity. In cases when the coefficients are in need or just desirable, the method offers a simple way to calculate them. Possible systems to apply method of chemical dynamics are discussed.

physics.chem-ph↗

arXiv2000

Thermodynamic Equilibrium in Open Chemical Systems

The article presents new model of equilibrium in open chemical systems suggesting a linear dependence of the reaction shift from equilibrium in presence of the external thermodynamic force. Basic equation of this model contains traditional logarithmic term and a non-traditional parabolic term. At isolated equilibrium the non-traditional term equals to zero turning the whole equation to the traditional form of constant equation. This term coincides with the excessive thermodynamic function revealing linear relationship between logarithm of the thermodynamic activity coefficient and reaction extent at open equilibrium. Discovered relationship prompts us to use in many systems a combination of the linearity coefficient and reaction shift from true equilibrium rather then activity coefficients. The coefficient of linearity can be found by thermodynamic computer simulation while the shift is an independent variable defining the open equilibrium state. Numerical data obtained by various simulation techniques proved premise of the method of chemical dynamics.

physics.chem-ph↗