New Model of Multicomponent Masstransfer Kinetics in Bifunctional Matrix of Nanocomposites and Results of Simulation

作者：Kalinitchev A^*

来源：Protection of Metals and Physical Chemistry of Surfaces, 2013, 49(6): 627-638.

DOI：10.1134/S2070205113060051

• Nano-Composites (NC)
• mass transfer
• concentration waves
• diffusion
• multi-component kinetics
• bi-functional matrix
• active nano-sites

The theoretical investigation is presented with the aim of modeling 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 multi-component mass transfer kinetics in the bi-functional NC materials. This NC Model for the multicomponent mass transfer in the bi-functional 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 W+-concept: propagating multi-component con centration 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 on the basis of solutions of mass balance equations. The results of the calculations for the multicomponent wave concentration distributions are new and illustrated by author's animations showing visually the propagation of the multi-component con centration waves (W) inside the various NC matrixes: r-beads, cylindrical ro-fibers, or planar L-membranes. The every animation is composed from the frames-pictures of the concentration waves obtained by computerized calculations of the NC kinetic process during time-T. There are considered various NC systems for two variants: with one (Variant 1), or (Variant 2) two association-dissociation-reactions at active nano-sites R-0 with the computerized modeling of mass transfer diffusion kinetics in the bi-functional NC matrixes.

• 出版日期2013-11