Tatochenko M. Colloidal processes in systems filled with anisometric particles. Modeling the formation and restructuring processes, analysis of connectivity and percolation behavior. - Qualification scientific work as a manuscript.

Українська версія

Thesis for the degree of Doctor of Philosophy (PhD)

State registration number

0824U003275

Applicant for

Specialization

  • 102 - Хімія

17-10-2024

Specialized Academic Board

Д 26.209.01

F. D. Ovcharenko Institute of Biocolloidal Chemistry NAS of Ukraine

Essay

The dissertation is dedicated to the study of colloidal processes in systems filled with anisometric particles, particularly focusing on modeling the processes of formation and restructuring, as well as analyzing the connectivity and percolation behavior. Adsorption processes play a key role in many natural and anthropogenic processes, such as water purification, creation of adsorbents for gases, and in medicine. In particular, random sequential adsorption (RSA) is a fundamental process that determines the structure and properties of the formed adsorption layers. Understanding the mechanisms of RSA and their impact on material properties is an important task for the development of new technologies. The aim of the work is to study the kinetics of formation and properties of adsorption packings of anisometric particles and to determine the trends of their ordering. The research focuses on the transport properties of percolation connectivity and electrical conductivity of one-dimensional and two-dimensional adsorption systems composed of particles of one or several types. The work also investigates the effect of spatial constraints on the packing nature and explores two-stage models of sedimentation of particle mixtures. The scientific novelty of the work lies in the first-time investigation of the influence of the spatial distribution of particle orientations on the sedimentation kinetics and structure of adsorption sediments; the behavior of spatially constrained RSA packings filled with anisometric particles; percolation effects in RSA packings of discorectangles; the critical thickness of conductive shells for creating electrically conductive adsorption films; and the development of an original two-stage RSA model for mixtures of different types of particles. The practical significance of the work is that the results of theoretical studies can be useful in the development of new nanomaterials with controlled conductive and transport properties. Furthermore, these results may be significant for the development of new electronic and sensor devices. The research methods include computer modeling, numerical methods, and statistical data processing. The main results of the work indicate a significant influence of orientational ordering and the aspect ratio of anisometric particles on the formation kinetics and properties of RSA packings. For 1D RSA models, there is a tendency for particles to order perpendicularly to the line of their centers' placement in saturated packings. For 2D RSA models, the aspect ratio and order parameter significantly affect the structure of saturated packings, the formation of long-range connectivity, and the behavior of electrical conductivity. Introducing spatial constraints for 2D RSA models significantly changes the spatial and orientational distributions of particles. For 2D RSA models of two-stage adsorption of mixtures of disks and discorectangles, there is a possibility for fine-tuning the connectivity and transport properties of the resulting RSA films.

Research papers

N. I. Lebovka, M. O. Tatochenko, N. V. Vygornitskii, and Y. Y. Tarasevich, Paris Car Parking Problem for Partially Oriented Discorectangles on a Line, Phys. Rev. E 102, 012128 (2020).

N. I. Lebovka, M. O. Tatochenko, N. V Vygornitskii, A. V Eserkepov, R. K. Akhunzhanov, and Y. Y. Tarasevich, Connectedness Percolation in the Random Sequential Adsorption Packings of Elongated Particles, Phys. Rev. E 103, 42113 (2021).

N. I. Lebovka, M. O. Tatochenko, N. V. Vygornitskii, and Y. Y. Tarasevich, Relaxation of Saturated Random Sequential Adsorption Packings of Discorectangles Aligned on a Line, Phys. Rev. E 104, 064104 (2021).

N. I. Lebovka, M. O. Tatochenko, N. V. Vygornitskii, and Y. Y. Tarasevich, Confinement Effects on the Random Sequential Adsorption Packings of Elongated Particles in a Slit, Phys. Rev. E 104, 054104 (2021).

N. Lebovka, M. Petryk, M. O. Tatochenko, and N. V. Vygornitskii, Two-Stage Random Sequential Adsorption of Discorectangles and Disks on a Two-Dimensional Surface, Phys. Rev. E 108, 024109 (2023).

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