Traditional models chemical kinetics and potentially streaming equation for a closed system

The paper analyzes the communication matrix coefficients reagiruemostey simple subsystems and the coefficient matrix formed independent subsystems simple reagents chemically reacting systems with chemical kinetics. He showed that the coefficient matrix and the matrix of coefficients reagiruemostey f...

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Main Authors: V. I. Bykov, I. E. Starostin
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2014-04-01
Series:Тонкие химические технологии
Subjects:
Online Access:https://www.finechem-mirea.ru/jour/article/view/483
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author V. I. Bykov
I. E. Starostin
author_facet V. I. Bykov
I. E. Starostin
author_sort V. I. Bykov
collection DOAJ
description The paper analyzes the communication matrix coefficients reagiruemostey simple subsystems and the coefficient matrix formed independent subsystems simple reagents chemically reacting systems with chemical kinetics. He showed that the coefficient matrix and the matrix of coefficients reagiruemostey formed independent reagents simple subsystems have the following Items supplied: symmetry; reagiruemostey coefficient matrix in the second subsystem is the sum of simple and symmetric nonnegative definite matrices, at least one of which is positive definite, due to different mechanisms of chemical reactions. Also property of these matrices simple subsystems as matrices susceptibility is positive definiteness of these matrices. The symmetry of these positive- definite matrices follows from the principle of independence stages kinetic mechanism of chemical transformations. Under such constraints matrix corresponds to the general features of the kinetic mechanism of chemical transformations. The paper shows that when comparing potentially streaming method of modeling chemical reactions in a closed system of chemically reacting with traditional chemical kinetics of these two methods are equivalent. Proposed potentially streaming method is preferred in the absence of the detailed mechanism of complex chemically reacting systems. If the total kinetic information is not available, it is preferable to use the proposed potentially streaming method agreed with the non-equilibrium thermodynamics.
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spelling doaj-art-0b353a9aa6ee4385b01b3f0698c00e012025-08-04T10:19:36ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752014-04-01928086477Traditional models chemical kinetics and potentially streaming equation for a closed systemV. I. Bykov0I. E. Starostin1N.M. Emanuel Institute of Biochemical Physics RAS, Moscow, 119991N.M. Emanuel Institute of Biochemical Physics RAS, Moscow, 119991The paper analyzes the communication matrix coefficients reagiruemostey simple subsystems and the coefficient matrix formed independent subsystems simple reagents chemically reacting systems with chemical kinetics. He showed that the coefficient matrix and the matrix of coefficients reagiruemostey formed independent reagents simple subsystems have the following Items supplied: symmetry; reagiruemostey coefficient matrix in the second subsystem is the sum of simple and symmetric nonnegative definite matrices, at least one of which is positive definite, due to different mechanisms of chemical reactions. Also property of these matrices simple subsystems as matrices susceptibility is positive definiteness of these matrices. The symmetry of these positive- definite matrices follows from the principle of independence stages kinetic mechanism of chemical transformations. Under such constraints matrix corresponds to the general features of the kinetic mechanism of chemical transformations. The paper shows that when comparing potentially streaming method of modeling chemical reactions in a closed system of chemically reacting with traditional chemical kinetics of these two methods are equivalent. Proposed potentially streaming method is preferred in the absence of the detailed mechanism of complex chemically reacting systems. If the total kinetic information is not available, it is preferable to use the proposed potentially streaming method agreed with the non-equilibrium thermodynamics.https://www.finechem-mirea.ru/jour/article/view/483mathematical modeling, chemical kinetics and thermodynamics, potential streaming method
spellingShingle V. I. Bykov
I. E. Starostin
Traditional models chemical kinetics and potentially streaming equation for a closed system
Тонкие химические технологии
mathematical modeling, chemical kinetics and thermodynamics, potential streaming method
title Traditional models chemical kinetics and potentially streaming equation for a closed system
title_full Traditional models chemical kinetics and potentially streaming equation for a closed system
title_fullStr Traditional models chemical kinetics and potentially streaming equation for a closed system
title_full_unstemmed Traditional models chemical kinetics and potentially streaming equation for a closed system
title_short Traditional models chemical kinetics and potentially streaming equation for a closed system
title_sort traditional models chemical kinetics and potentially streaming equation for a closed system
topic mathematical modeling, chemical kinetics and thermodynamics, potential streaming method
url https://www.finechem-mirea.ru/jour/article/view/483
work_keys_str_mv AT vibykov traditionalmodelschemicalkineticsandpotentiallystreamingequationforaclosedsystem
AT iestarostin traditionalmodelschemicalkineticsandpotentiallystreamingequationforaclosedsystem