538.931

нанопористе середовище
самоузгоджений розв’язок
масоперенос
абсорбція
nanoporous media
selfconsistent solution
mass transfer
absorption

Побудовано та досліджено математичну модель нанопористого середовища з дворівневим процесом масопереносу частинок за наявності позитивно заряджених домішок. Для моделі, яку розглядаємо, шляхом знаходження самоузгоджених розв’язків системи рівнянь Фіка-Нернста та Пуассона, розвинено теорію процесу масопереносу та проведено розрахунок електричних полів, що виникають у нанопористому середовищі, залежно від концентрації абсорбованих заряджених часток.
Mathematical model of nanoporous medium with two-level process of particles mass transfer in the presence of positively charged impurities was constructed and investigated. For the considered model, the theory of the process of mass transfer has been developed by finding self-consistent solutions of the Fick-Nernst and Poisson equations, and the electric fields generated in a nanoporous medium depending on the concentration of absorbed charged particles are calculated.

1. Petryk M., Leclerc S., Canet D., Sergienko I.V., Deineka V.S., Fraissard J. The Competitive Diffusion of Gases in a zeolite bed: NMR and Slice Procedure, Modelling and Identification of Parameters. J. Phys. Chem. C, vol. 119, no. 47, pp. 26519 – 26525.
2. Petryk M. Parameter Identification of Competitive Diffusion of Nanoporous Particles Media Using Gradient Method and the Heviside’s Operational Method. Radioelectronics & Informatics Journal, vol. 68, no. 1, pp. 30 – 36.
3. Deineka V., Petryk M., Fraissard J. Identifying Kinetic Parameters of Mass Transfer in Components of Multicomponent Heterogeneous Nanoporous Media of a Competitive Diffusion System. Cybernetics and System Analysis, vol. 47, no. 5, pp. 705 – 723.
4. Krishna R., Van Baten J.M. Diffusion of Hydrocarbon Mixtures in MFI Zeolite: Influence of Intersection Blocking. Chem. Eng. J., vol. 140, no. 1 – 3, pp. 614 – 620.
5. Petryk M., Leclerc S., Canet D., Fraissard J. Modelling of Gas Transport in a Microporous Solid Using a Slice Selection Procedure: Application to the Diffusion of Benzene in ZSM5. Catal. Today, vol. 139, no. 3, pp. 234 – 240.
6. Krishna R., Van Baten J.M. Diffusion of Alkane Mixtures in Zeolites: Validating the Maxwell-Stefan Formulation Using MD Simulations. J. Phys. Chem. B, vol. 109, no. 13, pp. 6386 – 6396.
7. Boyko V., Grynyshyn Yu.B., Seti Ju.O., Tkach M.V. The influence of static and dynamic spatial charges on electronic active conductivity of three-barrier resonant tunneling structures. J. Phys. Stud., vol. 18, no. 4, pp. 4702-1 – 4702-10.
8. Boyko I.V., Petryk M.R. Influence of the Space Charge on Tunneling of Electrons and Their Conductivity by the Resonance Tunneling Structures in the Constant Electric Field. J. Nano- Electron. Phys., vol. 9, no. 3, pp. 03030-1 – 03030-8.
9. Samarskii A. The Theory of Difference Schemes. Marcel Dekker, New York, 2001, 762 p.

1. Petryk M., Leclerc S., Canet D., Sergienko I.V., Deineka V.S., Fraissard J. The Competitive Diffusion of Gases in a zeolite bed: NMR and Slice Procedure, Modelling and Identification of Parameters. J. Phys. Chem. C, vol. 119, no. 47, pp. 26519 – 26525.
2. Petryk M. Parameter Identification of Competitive Diffusion of Nanoporous Particles Media Using Gradient Method and the Heviside’s Operational Method. Radioelectronics & Informatics Journal, vol. 68, no. 1, pp. 30 – 36.
3. Deineka V., Petryk M., Fraissard J. Identifying Kinetic Parameters of Mass Transfer in Components of Multicomponent Heterogeneous Nanoporous Media of a Competitive Diffusion System. Cybernetics and System Analysis, vol. 47, no. 5, pp. 705 – 723.
4. Krishna R., Van Baten J.M. Diffusion of Hydrocarbon Mixtures in MFI Zeolite: Influence of Intersection Blocking. Chem. Eng. J., vol. 140, no. 1 – 3, pp. 614 – 620.
5. Petryk M., Leclerc S., Canet D., Fraissard J. Modelling of Gas Transport in a Microporous Solid Using a Slice Selection Procedure: Application to the Diffusion of Benzene in ZSM5. Catal. Today, vol. 139, no. 3, pp. 234 – 240.
6. Krishna R., Van Baten J.M. Diffusion of Alkane Mixtures in Zeolites: Validating the Maxwell-Stefan Formulation Using MD Simulations. J. Phys. Chem. B, vol. 109, no. 13, pp. 6386 – 6396.
7. Boyko V., Grynyshyn Yu.B., Seti Ju.O., Tkach M.V. The influence of static and dynamic spatial charges on electronic active conductivity of three-barrier resonant tunneling structures. J. Phys. Stud., vol. 18, no. 4, pp. 4702-1 – 4702-10.
8. Boyko I.V., Petryk M.R. Influence of the Space Charge on Tunneling of Electrons and Their Conductivity by the Resonance Tunneling Structures in the Constant Electric Field. J. Nano- Electron. Phys., vol. 9, no. 3, pp. 03030-1 – 03030-8.
9. Samarskii A. The Theory of Difference Schemes. Marcel Dekker, New York, 2001, 762 p.