Bothe, D. ; Lojewski, A. ; Warnecke, H.-J. (2010)
Computational analysis of an instantaneous irreversible reaction in a T-microreactor.
In: AIChE J., 56 (6)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We extend and apply a method for the numerical computation of convective and diffusive mixing in liquid systems with very fast irreversible chemical reaction to the case of unequal diffusivities. This approach circumvents the solution of stiff differential equations and, hence, facilitates the direct numerical simulation of flow based reactive mixing with instantaneous reactions like neutralizations or more general ionic reactions. The method is validated by means of the neutralization reaction between hydrochloric acid and sodium hydroxide. This reaction is studied in a T-shaped micromixer and compared with existing experimental data. Due to their large are-to-volume ratio, microreactors provide enhanced mass and energy transport. Hence, they are well suited for fast chemical reactions which are seriously affected by the slow diffusive transport in aqueous media. The simulation results agree very well with given data from laser induced fluorescence measurements. Numerical computations for different reactor dimensions reveal the fact that, in a dimensionless setting, the obtained conversion is independent of the reactor size, if the flow conditions are the same. This corresponds to an increase of space-time-yield proportional to the square of the inverse scale factor.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2010 |
| Autor(en): | Bothe, D. ; Lojewski, A. ; Warnecke, H.-J. |
| Art des Eintrags: | Bibliographie |
| Titel: | Computational analysis of an instantaneous irreversible reaction in a T-microreactor |
| Sprache: | Englisch |
| Publikationsjahr: | 2010 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | AIChE J. |
| Jahrgang/Volume einer Zeitschrift: | 56 |
| (Heft-)Nummer: | 6 |
| Kurzbeschreibung (Abstract): | We extend and apply a method for the numerical computation of convective and diffusive mixing in liquid systems with very fast irreversible chemical reaction to the case of unequal diffusivities. This approach circumvents the solution of stiff differential equations and, hence, facilitates the direct numerical simulation of flow based reactive mixing with instantaneous reactions like neutralizations or more general ionic reactions. The method is validated by means of the neutralization reaction between hydrochloric acid and sodium hydroxide. This reaction is studied in a T-shaped micromixer and compared with existing experimental data. Due to their large are-to-volume ratio, microreactors provide enhanced mass and energy transport. Hence, they are well suited for fast chemical reactions which are seriously affected by the slow diffusive transport in aqueous media. The simulation results agree very well with given data from laser induced fluorescence measurements. Numerical computations for different reactor dimensions reveal the fact that, in a dimensionless setting, the obtained conversion is independent of the reactor size, if the flow conditions are the same. This corresponds to an increase of space-time-yield proportional to the square of the inverse scale factor. |
| Freie Schlagworte: | Quasi-instantaneous chemical reaction, neutralization, reaction-convection-diffusion equation, T-shaped microreactor, 3D fully resolved numerical simulations |
| Fachbereich(e)/-gebiet(e): | Exzellenzinitiative Exzellenzinitiative > Exzellenzcluster 04 Fachbereich Mathematik 04 Fachbereich Mathematik > Analysis 04 Fachbereich Mathematik > Analysis > Mathematische Modellierung und Analysis Zentrale Einrichtungen Exzellenzinitiative > Exzellenzcluster > Center of Smart Interfaces (CSI) 04 Fachbereich Mathematik > Mathematische Modellierung und Analysis (MMA) |
| Hinterlegungsdatum: | 05 Apr 2011 12:32 |
| Letzte Änderung: | 07 Feb 2024 11:55 |
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