Exact(6)
The crucial unclosed term in the PDF description of reactive flows is that associated with subgrid-scale micromixing.
A numerical method is tailored for the solution of a reduced set of model equations developed for the description of reactive flows in chemical reactors.
For this reason, an adequate theoretical description of reactive absorption should be based on the rate-based approach, with the direct consideration of the process rates.
In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations.
Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary.
In the first description of reactive, infection-associated HPS (by Risdall et al. in 1979), 13 of the 19 affected individuals had undergone kidney transplantation [ 12].
Similar(52)
In this paper, a film-model-based description of multicomponent reactive separation is considered and two different approaches to the solution of the reaction mass transfer problem in the liquid film are studied and compared.
The combination of the free energy expression in eq 12.11 with a quantum mechanical description of the reactive proton allows computation of the mixed electron/proton states involved in the PCET reaction mechanism as functions of the solvent coordinates.
The first of these employs a semi-empirical description of the reactive part, using approaches such as AM1/d [75], orthogonalization corrections (OMx-D) [76,77], SCC-DFTB [62,63], or the empirical valence bond (EVB) approach [52,78].
Descriptions of all reactive species quantification protocols followed can be found in [ 28].
These descriptors were used in the characterization and successfully description of the preferred reactive sites and provide a firm explanation for the reactivity of the Naringenin molecule.
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