Chemical affinity tensor and chemical reaction front propagation: theory and FE-simulations

Alexander B. Freidin, Igor K. Korolev, Sergey P. Aleshchenko, Elena N. Vilchevskaya

Research output

12 Citations (Scopus)

Abstract

We develop an approach to studying the influence of stresses and strains on the kinetics of chemical reaction fronts based on the expression of the chemical affinity tensor that determines the configurational force acting at the transformation front. For a chemical reaction between diffusive gaseous and deformable solid constituents we formulate a kinetic equation in a form of the dependence of the reaction front velocity on the normal component of the chemical affinity tensor that in turn depends on stresses. We describe a locking effect—blocking the reaction by stresses at the reaction front and define the forbidden stresses or strains at which the chemical reaction cannot go. We develop a finite-element model to describe howstresses affect a chemical reaction front propagation.To demonstrate how the model works we consider a chemical front propagation in a plate with a groove assuming that the solid constituents are linear elastic. Comparing the front propagation in the vicinity of the groove top and at th
Original languageEnglish
Pages (from-to)245-259
JournalInternational Journal of Engineering Science
Volume202
Issue number2
DOIs
Publication statusPublished - 2016

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Tensors
Chemical reactions
Reaction kinetics
Kinetics

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Freidin, Alexander B. ; Korolev, Igor K. ; Aleshchenko, Sergey P. ; Vilchevskaya, Elena N. / Chemical affinity tensor and chemical reaction front propagation: theory and FE-simulations. In: International Journal of Engineering Science. 2016 ; Vol. 202, No. 2. pp. 245-259.
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Chemical affinity tensor and chemical reaction front propagation: theory and FE-simulations. / Freidin, Alexander B.; Korolev, Igor K.; Aleshchenko, Sergey P.; Vilchevskaya, Elena N.

In: International Journal of Engineering Science, Vol. 202, No. 2, 2016, p. 245-259.

Research output

TY - JOUR

T1 - Chemical affinity tensor and chemical reaction front propagation: theory and FE-simulations

AU - Freidin, Alexander B.

AU - Korolev, Igor K.

AU - Aleshchenko, Sergey P.

AU - Vilchevskaya, Elena N.

PY - 2016

Y1 - 2016

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AB - We develop an approach to studying the influence of stresses and strains on the kinetics of chemical reaction fronts based on the expression of the chemical affinity tensor that determines the configurational force acting at the transformation front. For a chemical reaction between diffusive gaseous and deformable solid constituents we formulate a kinetic equation in a form of the dependence of the reaction front velocity on the normal component of the chemical affinity tensor that in turn depends on stresses. We describe a locking effect—blocking the reaction by stresses at the reaction front and define the forbidden stresses or strains at which the chemical reaction cannot go. We develop a finite-element model to describe howstresses affect a chemical reaction front propagation.To demonstrate how the model works we consider a chemical front propagation in a plate with a groove assuming that the solid constituents are linear elastic. Comparing the front propagation in the vicinity of the groove top and at th

KW - Chemical affinity tensor · Mechanochemistry · Chemical reaction front kinetics · Forbidden strains/stresses · Finite-element modelling

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