The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensor technique

Motivated by the various applications of the trapping diffusion-influenced reaction theory in physics, chemistry, and biology, this paper deals with irreducible Cartesian tensor (ICT) technique within the scope of the generalized method of separation of variables (GMSV). We provide a survey from the basic concepts of the theory and highlight the distinctive features of our approach in contrast to similar techniques documented in the literature. The solution to the stationary diffusion equation under appropriate boundary conditions is represented as a series in terms of ICT. By means of proved translational addition theorem, we straightforwardly reduce the general boundary value diffusion problem for N spherical sinks to the corresponding resolving infinite set of linear algebraic equations with respect to the unknown tensor coefficients. These coefficients exhibit an explicit dependence on the arbitrary three-dimensional configurations of N sinks with different radii and surface reactivities. Our research contains all relevant mathematical details such as terminology, definitions, and geometrical structure, along with a step by step description of the GMSV algorithm with the ICT technique to solve the general diffusion boundary value problem within the scope of Smoluchowski's trapping model.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-08-15
DOI
https://doi.org/10.1063/5.0226416
Citations
2
Primary Topic
Advanced Thermodynamics and Statistical Mechanics
Type
article
Field-Weighted Citation Impact
0.56
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article

The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensor technique

Sergey D. Traytak
2 citations
The Journal of Chemical Physics
Advanced Thermodynamics and Statistical Mechanics
0.56
article

The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensor technique

Sergey D. Traytak
article en
2 citations

Abstract

Motivated by the various applications of the trapping diffusion-influenced reaction theory in physics, chemistry, and biology, this paper deals with irreducible Cartesian tensor (ICT) technique within the scope of the generalized method of separation of variables (GMSV). We provide a survey from the basic concepts of the theory and highlight the distinctive features of our approach in contrast to similar techniques documented in the literature. The solution to the stationary diffusion equation under appropriate boundary conditions is represented as a series in terms of ICT. By means of proved translational addition theorem, we straightforwardly reduce the general boundary value diffusion problem for N spherical sinks to the corresponding resolving infinite set of linear algebraic equations with respect to the unknown tensor coefficients. These coefficients exhibit an explicit dependence on the arbitrary three-dimensional configurations of N sinks with different radii and surface reactivities. Our research contains all relevant mathematical details such as terminology, definitions, and geometrical structure, along with a step by step description of the GMSV algorithm with the ICT technique to solve the general diffusion boundary value problem within the scope of Smoluchowski's trapping model.

The Journal of Chemical PhysicsVol. 161(7)
Semenov Institute of Chemical Physics (RU)
Openalex Percentile: Top 36%
Advanced Thermodynamics and Statistical Mechanics
0.56
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The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensor technique — Sergey D. Traytak · The Journal of Chemical Physics (2024) | TGRS Research Map | TGRS