High-Performance Supercomputer Technologies of Simulation of Nanoporous Feedback Systems for Adsorption Gas Purification
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SOFTWARE–HARDWARE SYSTEMS HIGH-PERFORMANCE SUPERCOMPUTER TECHNOLOGIES OF SIMULATION OF NANOPOROUS FEEDBACK SYSTEMS FOR ADSORPTION GAS PURIFICATION M. R. Petryk,1† I. V. Boyko,1‡ O. M. Khimich,2 and M. M. Petryk1††
UDC 519.6
Abstract. High-performance methods and computer technologies for modeling of non-isothermal gas adsorption in nanoporous cyber-feedback systems based on the Heaviside operating method and Landau’s linearization approach to Langmuir’s nonlinear adsorption equilibrium using decomposition in a convergent series at the temperature transition point with subsequent efficient parallelization of the model over a small parameter are developed. The results of numerical experiments based on high-speed parallel computations on multicore computers are presented. Keywords: nanoporous feedback systems, adsorption and desorption of gases, Langmuir adsorption equilibrium function, Heaviside operational method. INTRODUCTION Introduction of the modern nanoporous cyber-physical systems (NCPSs) absorbing the harmful carbon compounds emitted by power industry facilities and traffic is a key to solving the worldwide global warming problem, improving people’s health and environment, and realizing the safe energy plan [1]. The quality of mathematical models of adsorption processes of carbon compounds in NCPSs taking into consideration nanophysical feedback factors, which limit adsorption kinetics in nanopores, as well as that of high-performance solution-constructing methods obtained using these models, which are oriented on the architecture of modern computing systems, determines the efficiency of technological solutions for neutralizing gas emissions, whose volume increases sharply constituting global warming [2]. A great amount of experimental and theoretical research of these processes has been conducted in the present time, in particular, the research concerning the improvement of their mathematical models taking into account the influence of different limiting factors of the inner adsorption kinetics in nanoporous media [2–8]. However, these models do not completely reflect the entirety of notions of the inner kinetic nanoprocesses, they do not provide sufficient consideration for a number of key factors, in particular, the linear interaction factors in nanoflow media over the radial micro- and nanopores that are present in particles. In this case, the adsorption equilibrium conditions are mostly defined by the simplified quasi-steady and isothermal relations with no consideration given to the Lennard-Jones energy potential as the main element of the energy of activation, etc. In the present day, there exist no strict mathematical models that take into complete consideration the physical limiting factors of feedback in the process of nanoadsorption, as well as any high-performance realization methods.
1
Ternopil Ivan Puluj National Technical University, Ternopil, Ukraine, †[email protected]; [email protected]; ††[email protected]. 2V. M. Glushkov Institute of Cybernetics, National Academy
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