JUMP DIFFUSION IN THE LATTICE FLUID WITH COMPETING INTERACTIONS ON A SIMPLE CUBIC LATTICE

UDC 531.19

  • Groda Yaroslav Gennad’yevich – PhD (Physics and Mathematics), Associate Professor, Assistant Professor, the Department of Mechanics and Engineering. Belarusian State Technological University (13a, Sverdlova str., 220006, Minsk, Republic of Belarus). E-mail: groda@belstu.by

  • Groda Nadezhda Georgiyevna – head of laboratory, the Department of Physics. Belarusian State Technological University (13a, Sverdlova str., 220006, Minsk, Republic of Belarus). E-mail: gng@tut.by

  • Lasovsky Ruslan Nikolayevich – PhD (Physics and Mathematics), Associate Professor, Assistant Professor, the Department of Mechanics and Engineering. Belarusian State Technological University (13a, Sverdlova str., 220006, Minsk, Republic of Belarus). E-mail: lasovsky@tut.by

  • Bildanau Eldar Emiravich – Master of Engineering, PhD student, the Department of Mechanics and Engineering. Belarusian State Technological University (13a, Sverdlova str., 220006, Minsk, Republic of Belarus). E-mail: eldar.bildanov@gmail.com

  • Gapanjuk Dmitry Vladimirovich – PhD (Physics and Mathematics), Vice-dean of the Chemical Technology and Engineering Faculty. Belarusian State Technological University (13a, Sverdlova str., 220006, Minsk, Republic of Belarus). E-mail: gapdm@mail.ru

DOI: https://doi.org/10.52065/2520-6141-2021-248-2-22-27

Key words: lattice fluid, simple cubic lattice, SALR potential, Monte Carlo algorithm, Zhdanov's expression, diffusion coefficient, activation energy.

For citation: Groda Ya. G., Groda N. G., Lasovsky R. N., Bildanau E. E., Gapanjuk D. V. Jump diffusion in the lattice fluid with competing interactions on a simple cubic lattice. Proceedings of BSTU, issue 3, Physics and Mathematics. Informatics, 2021, no. 2 (248), pp. 22–27 (In Russian). DOI: https://doi.org/10.52065/2520-6141-2021-248-2-22-27.

Abstract

The transport properties of the lattice fluid with the attraction of the nearest neighbors and the repulsion of the third neighbors in the simple cubic lattice system have been studied. Computer simulation by the Monte Carlo method of the diffusion process in a such system has been carried out. The jump and tracer diffusion coefficients are determined. The concentration and temperature dependence of the jump diffusion coefficient has been investigated. The activation energy of the jump diffusion is determined. The possibility of approximate determination of the jump diffusion coefficient of the lattice fluid with competing interactions on a three-dimensional lattice using the Zhdanov's relation based on information on the equilibrium properties of the system and the diffusion coefficient of a Langmuir lattice gas is shown.

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References

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10.05.2021