Abstract
The aim of this theoretical investigation is the description of the multicomponent mass transfer process in the Nano- Composites (NC)—novel materials with the bi-functional matrix. The new theoretical NC Model is assigned for the modern theoretical investigations of the multicomponent mass transfer kinetics in the bi-functional NC materials. This NC Model for the multicomponent mass transfer in the bi-functional NC matrix includes into the consideration the proposed key conception—two co-existing routes: I—chemical reactions onto the active NC centers-sites, and II—diffusion mass transfer inside the bi-functional NC matrix. All the results are presented in the terms of the additional key concept: propagating multicomponent concentration waves (W+) in the NC matrix. The used W+ concept for the description of the multicomponent NC mass transfer kinetics give the clear interpretation of the computerized results. The mass transfer process in the NC matrix has been described theoretically by computerized simulation. The results of the calculations are new and illustrated by author’s animations showing visually the propagation of the multicomponent concentration waves (W) inside the various NC matrixes: r-beads, cylindrical ro-fibers, or planar L-membranes. Two variants of modeling for mass transfer diffusion kinetics in the bi-functional NC matrixes with one (Variant 1), or two (Variant 2) dissociation-association reactions at the active nano-sites (R0) are considered theoretically.
Highlights
The created new theoretical NanoComposite (NC) Model is developed for the modern investigations of the multicomponent mass transfer kinetics in the bi-functional NC materials [1,2]
The computerized simulation of the mass transfer kinetics inside the NC matrix (Sections 4,5) discovers the clear analogies of the multicomponent NC kinetics with the main theoretical basis of the theory of nonlinear multicomponent chromatography [14,19]
The computerized simulations of the nonlinear NC systems on the basis of the Model bring the new results describing the behavior of the multicomponent concentration waves (W) in the bi-functional NC matrixes for the three various shapes: r-bead, ro-fiber, L-membrane
Summary
The created new theoretical NanoComposite (NC) Model is developed for the modern investigations of the multicomponent mass transfer kinetics in the bi-functional NC materials [1,2]. The modern multicomponent kinetic theoretical Model is developed for the NC with the key conception: two coexisting routes—(I) and (II) for the multicomponent mass transfer inside the bi-functional NC matrix-medium [1,2] These two co-existing routes reflect the two simultaneous processes: (Ia,b)—sorption-desorption for the components at the active nano-sites (R0) of the NC matrix and (II)—diffusion of the components in the pores. There are considered two real factors of the multicomponent mass transfer in the NC materials: Diffusion (Di,j) of the i,j-components, together with the Reaction and co-existing routes (Ia,b) for the “sinks & sources” of the masses at the active nano-sites. Consideration of the active nano-sites influence in the bi-functional NC matrix (routes Ia, Ib; Figure 1(c)), at which changes of the mass for the components occur, is especially relevant in the case of the mass transport processes in the new bi-functional NC materials [1,2,3,4]
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