TY - JOUR
T1 - Analysis of tortuosity in compacts of ternary mixtures of spherical particles
AU - Zharbossyn, Assem
AU - Berkinova, Zhazira
AU - Boribayeva, Aidana
AU - Yermukhambetova, Assiya
AU - Golman, Boris
N1 - Funding Information:
Funding: This research was partially funded under the program BR05236789 “Innovative Materials and Systems for Energy Conversion and Storage” by the Ministry of Education and Science of the Republic of Kazakhstan.
Publisher Copyright:
© 2020 by the authors. Licensee MDPI, Basel, Switzerland.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/10/2
Y1 - 2020/10/2
N2 - Herein, an approach is proposed to analyze the tortuosity of porous electrodes using the radical Voronoi tessellation. For this purpose, a series of particle compacts geometrically similar to the actual porous electrode were generated using discrete element method; the radical Voronoi tessellation was constructed for each compact to characterize the structural properties; the tortuosity of compact porous structure was simulated by applying the Dijkstra’s shortest path algorithm on radical Voronoi tessellation. Finally, the relationships were established between the tortuosity and the composition of the ternary particle mixture, and between the tortuosity and the radical Voronoi cell parameters. The following correlations between tortuosity values and radical Voronoi cell parameters were found: larger faces and longer edges of radical Voronoi cell leads to the increased fraction of larger values of tortuosity in the distribution, while smaller faces and shorter edges of radical Voronoi cell contribute to the increased fraction of smaller tortuosity values, being the tortuosity values more uniform with narrower distribution. Thus, the compacts with enhanced diffusion properties are expected to be obtained by packing particle mixtures with high volume fraction of small and medium particles. These results will help to design the well-packed particle compacts having improved diffusion properties for various applications including porous electrodes.
AB - Herein, an approach is proposed to analyze the tortuosity of porous electrodes using the radical Voronoi tessellation. For this purpose, a series of particle compacts geometrically similar to the actual porous electrode were generated using discrete element method; the radical Voronoi tessellation was constructed for each compact to characterize the structural properties; the tortuosity of compact porous structure was simulated by applying the Dijkstra’s shortest path algorithm on radical Voronoi tessellation. Finally, the relationships were established between the tortuosity and the composition of the ternary particle mixture, and between the tortuosity and the radical Voronoi cell parameters. The following correlations between tortuosity values and radical Voronoi cell parameters were found: larger faces and longer edges of radical Voronoi cell leads to the increased fraction of larger values of tortuosity in the distribution, while smaller faces and shorter edges of radical Voronoi cell contribute to the increased fraction of smaller tortuosity values, being the tortuosity values more uniform with narrower distribution. Thus, the compacts with enhanced diffusion properties are expected to be obtained by packing particle mixtures with high volume fraction of small and medium particles. These results will help to design the well-packed particle compacts having improved diffusion properties for various applications including porous electrodes.
KW - Dijkstra’s shortest path algorithm
KW - Discrete element method
KW - Particle compact
KW - Radical Voronoi tessellation
KW - Ternary mixtures of spherical particles
KW - Tortuosity
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U2 - 10.3390/ma13204487
DO - 10.3390/ma13204487
M3 - Article
AN - SCOPUS:85093959468
SN - 1996-1944
VL - 13
SP - 1
EP - 14
JO - Materials
JF - Materials
IS - 20
M1 - 4487
ER -