Competitive diffusion of benzene-hexane mixtures in microporous medium: mathematical modeling and parameters identification
Keywords:
competitive diffusion of gases; adsorption; modeling; diffusion coefficient; microporous zeolite bed; intra- and intracrystallites space; gradient methods of identification
Abstract
In the paper we propose new effective identification procedures for competitive diffusion coefficients of two gases (benzene and hexane) in intra- and inter- crystallite space. This procedure is developed using high-speed gradient methods, mathematical models of competitive as well as monodiffusion, and NMR imaging of adsorbed masses distribution for each component in zeolite crystallite bed. Distributions of diffusion coefficients as functions of time were obtained for different positions along the microspores. The benzene and hexane concentration curves as functions of time were built at every level of crystallite bed for inter crystallite space, based on identified coefficients and developed mathematical models.
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References
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S. Leclerc, G. Trausch, B. Cordier, D. Grandclaude, A. Retournard, J. Fraissard, D. Canet Chemical shift imaging (CSI) by precise object displacement . Magn. Reson. Chem. 44, 311 (2006).
P. N’Gokoli-Kekele, M.-A. Springuel, J.-J. Bonardet, J.-M. Dereppe and J. Fraissard Use of 1H NMR imaging to study the diffusion and co-diffusion of gaseous hydrocarbons in HZSM-5 catalysts. Studies in Surface Science and Catalysis, 135, 93 (2001)
M. Petryk, S. Leclerc, D. Canet, J. Fraissard Modeling of gas transport in a microporous solid using a sclice selection procedure: Application to the diffusion of benzene in ZSM5. Catalysis Today, Elsevier B.V., – Volume 139, Issue 3. – P. 234-240. (2008)
M. Petryk, S. Leclerc, D. Canet, J. Fraissard Mathematical modeling and visualization of gas transport in a zeolite bed using a slice selection procedure. Diffusion Fundamentals. – Volume 4. – P. 11.1-11.23 (2007)
S. Lecler, M. Petryk, D. Canet, J. Fraissard Competitive Diffusion of Gases in a Zeolite Using Proton NMR and Sclice Selection Procedure. Catalysis Today, Elsevier B.V.. – Volume 187, Issue 1. – P. 104-107 (2012).
Sergienko I.V., Deineka V.S. Optimal Control of Distributed Systems with Conjugation Conditions. New York: Kluwer Aсademic Publishers. 400 p. (2005)
V. S. Deineka, M. R. Petryk, J. Fraissard Identifying kinetic parameters of mass transfer in components of multicomponent heterogeneous nanoporous media of a competitive diffusion system. Cybernetics and Systems Analysis; 47(5) (2011)
Ленюк М.П. Інтегральні перетворення Фур’є, Бесселя із спектральним параметром в задачах математичного моделювання масопереносу в неоднорідних середовищах / М.П. Ленюк, М.Р. Петрик. − К: Наукова думка, 2000. − 371с.
Published
2014-03-11
How to Cite
Fraissard, J., Leclerc, S., Mykhalyk, D. M., & Petryk, M. R. (2014). Competitive diffusion of benzene-hexane mixtures in microporous medium: mathematical modeling and parameters identification. Bulletin of V.N. Karazin Kharkiv National University, Series «Mathematical Modeling. Information Technology. Automated Control Systems», 25(1131), 181-191. Retrieved from https://periodicals.karazin.ua/mia/article/view/14240
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