Abstract
High-performance supercomputer computing technologies have been developed to model and identify the parameters of complex n-component competitive adsorption processes in nanoporous cybersystems with feedback. Using the Laplace transform and the Heaviside operating method with the decomposition of a nonlinear system with Langmuir-type adsorption equilibrium conditions, an efficient parallelization of the vector components of the model solution is proposed. The results of numerical experiments based on parallel computations using multicore computers are presented.
Similar content being viewed by others
References
B. Puértolas, M. V. Navarro, J. M. Lopez, R. Murillo, A. M. Mastral, and T. Garcia, “Modelling the heat and mass transfers of propane onto a ZSM-5 zeolite,” Separation and Purification Technology, Vol. 86, 127–136 (2012). https://doi.org/10.1016/j.seppur.2011.10.036.
N. K. Kanellopoulos, Nanoporous Materials: Advanced Techniques for Characterization, Modeling, and Processing, CRC Press, London (2011).
K. D. Hammond and W. C. Conner Jr., “Chapter one — analysis of catalyst surface structure by physical sorption,” Advances in Catalysis, Vol. 56, 1–101 (2013). https://doi.org/10.1016/B978-0-12-420173-6.00001-2.
J. Karger, D. M. Ruthven, and D. N. Theodorou, Diffusion in Nanoporous Materials,Weinheim,Wiley-VCH (2012).
R. Krisnha and J. M. van Baten, “Investigating the non-idealities in adsorption of CO2-bearing mixtures in cation-exchanged zeolites,” Separation and Purification Technology,” Vol. 206, 208–217 (2018). https://doi.org/10.1016/j.seppur.2018.06.009.
S. Leclerc, M. Petryk, D. Canet, and J. Fraissard, “Competitive diffusion of gases in a zeolite using proton NMR and slice selection procedure,” Catalysis Today, Vol. 187, No. 1, 104–107 (2012). https://doi.org/10.1016/j.cattod.2011.09.007.
M. Petryk, S. Leclerc, D. Canet, and J. Fraissard, “Modeling of gas transport in a microporous solid using a slice selection procedure: Application to the diffusion of benzene in ZSM5,” Catalysis Today, Vol. 139, No. 3, 234–240 (2008). https://doi.org/10.1016/j.cattod.2008.05.034.
M. Petryk, S. Leclerc, D. Canet, I. V. Sergienko, V. S. Deineka, and J. Fraissard, “Competitive diffusion of gases in a zeolite bed: NMR and slice selection procedure, modeling, and parameter identification,” J. Phys. Chem. C, Vol. 119, No. 47, 26519–26525 (2015). https://doi.org/10.1021/acs.jpcc.5b07974.
I. V. Sergienko, M. R. Petryk, S. Leclerc, and J. Fraissard, “Highly efficient methods of the identification of competitive diffusion parameters in heterogeneous media of nanoporous particles,” Cybern. Syst. Analysis, Vol. 51, No. 4, 529–546 (2015). https://doi.org/10.1007/s10559-015-9744-7.
M. R. Petryk, I. V. Boyko, O. M. Khimich, and M. M. Petryk, “High-performance supercomputer technologies of simulation of nanoporous feedback systems for adsorption gas purification,” Cybern. Syst. Analysis, Vol. 56, No. 5, 835–847 (2020). https://doi.org/10.1007/s10559-020-00304-y.
M. Petryk, M. Ivanchov, S. Leclerc, D. Canet, and J. Fraissard, “Competitive adsorption and diffusion of gases in a microporous solid,” in: K. Margeta and A. Farkas (eds.), Zeolites — New Challenges, IntecOpen, London (2019), pp. 1–23. URL: https://www.intechopen.com/online-first/competitive-adsorption-and-diffusion-of-gases-in-a-microporous-solid.
O. M. Khimich, M. R. Petryk, D. M. Mikhalyk, I. V. Boyko, O. V. Popov, and V. A. Sydoruk, Methods of Mathematical Modeling and Identification of Complex Processes and Systems on the Basis of High-Performance Calculations [in Ukrainian], National Academy of Sciences of Ukraine, Kyiv (2019).
M. R. Petryk, A. Khimich, M. M. Petryk, and J. Fraissard, “Experimental and computer simulation studies of dehydration on microporous adsorbent of natural gas used as motor fuel,” Fuel, Vol. 239, 1324–1330 (2019). https://doi.org/10.1016/j.fuel.2018.10.134.
D. Mykhalyk, M. Petryk, M. M. Petryk, O. Petryk, and I. Mudryk, “Mathematical modeling of hydrocarbons adsorption in nanoporous catalyst media using nonlinear Langmuir’s isotherm using activation energy,” in: Proc. 9th International Conference on Advanced Computer Information Technologies (ACIT’2019) (Budejovice, Czech Republic, 5–7 June, 2019), Budejovice (2019), pp. 72–75.
M. A. Lavrent’ev and B. V. Shabat, Methods of the Theory of Functions of Complex Variable [in Russian], Nauka, Moscow (1973).
V. V. Nemytskii and V. V. Stepanov, Qualitative Theory of Differential Equations (New Edition), Dover Publications Inc., New York (1990).
Microsoft Visual Studio C++ Documentation. URL: https://docs.microsoft.com/en-us/cpp/parallel/parallel-programming-in-visual-cpp?view=vs-2019 [Accessed Nov 12, 2019].
Author information
Authors and Affiliations
Corresponding author
Additional information
Translated from Kibernetyka ta Systemnyi Analiz, No. 2, March–April, 2021, pp. 170–183.
Rights and permissions
About this article
Cite this article
Petryk, M.R., Boyko, I.V., Khimich, O.M. et al. High-Performance Supercomputer Technologies of Simulation and Identification of Nanoporous Systems with Feedback for n-Component Competitive Adsorption. Cybern Syst Anal 57, 316–328 (2021). https://doi.org/10.1007/s10559-021-00357-7
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10559-021-00357-7