Journal: Chemical Engineering Science

Abbreviation

Chem Eng Sc

Publisher

Elsevier

Journal Volumes

ISSN

0009-2509

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Publications1 - 10 of 199
  • Incremental and simultaneous identification of reaction kinetics: methods and comparison
    Item type: Journal Article
    Bardow, André; Marquardt, Wolfgang (2004)
    Chemical Engineering Science
    Short cut procedures such as the differential method are still popular for the identification of reaction kinetics. Despite their lack of statistical rigor their computational efficiency makes them a valuable tool for initial analysis. A new incremental approach is introduced here to extend the differential method. This identification procedure is split in a sequence of inverse problems, thereby reducing uncertainty and computational complexity. Since error propagation remains critical for the success of such a stepwise approach the influence of error propagation has to be analyzed. Consequently, the performance of the incremental strategy is compared to that of the simultaneous approach which exhibits optimal statistical properties. A pedagogical example is considered in detail to extract general conclusions.
  • 2D lattice-boltzmann method with detailed surface chemistry: conservation of geometrical surface
    Item type: Journal Article
    Hettel , Matthias; Daymo , Eric A.; Sawant , Nilesh; et al. (2026)
    Chemical Engineering Science
    The paper discusses the coupling of detailed surface chemistry to the Lattice-Boltzmann Method and shows an approach on how the geometrical catalytic surface can be preserved. Results from calculations with the 2D LBM code MATRICS for formaldehyde conversion in a channel show good agreement compared to measurements under diffusion-controlled conditions, but not for a kinetically controlled system. Results fit for both modes of operation with results from a Finite-Volume code. Modeling of systems with surface chemistry requires the consideration of the exact geometrical surface. However, basis of LBM is a staircase approximation for interfaces between fluid and solid. Based on theoretical derivations, it was shown that the asymptotic discretization error for circles is 27%. The error of skew lines is maximal for an angle of α = 45° and shows the value of 41%. The discretization error for curvilinear interfaces cannot be diminished by grid refinement. An approach was developed, which allows the use of the exact geometric surface for calculation of surface chemistry. It consists of two steps: 1. Implementation of the species fluxes at surfaces as volumetric sources in wall bounded fluid cells. 2. Segmentation of the original geometrical surface and assignment of line segments to reactive wall cells located nearby. The validation of the approach by calculation of flows around circles and rotated squares shows the discretization errors predicted by theory and allows to suppress the errors due to the incorporation of the exact size of curvilinear or skew geometrical interfaces in the calculation.
  • Esterification of acrylic acid with methanol by reactive chromatography
    Item type: Journal Article
    Ströhlein, Guido; Assunçao, Yolanda; Dube, Nikhil; et al. (2006)
    Chemical Engineering Science
  • The effect of CO2 and salinity on olivine dissolution kinetics at 120°C
    Item type: Journal Article
    Prigiobbe, Valentina; Costa, Giulia; Baciocchi, Renato; et al. (2009)
    Chemical Engineering Science
  • Sensitivity Enhancement and Dynamic Behavior Analysis by Modulation Excitation Spectroscopy
    Item type: Journal Article
    Urakawa, Atsushi; Bürgi, Thomas; Baiker, Alfons (2008)
    Chemical Engineering Science
  • Reactive bed materials for improved biomass gasification in a circulating fluidised bed reactor
    Item type: Journal Article
    Pecho, J.; Schildhauer, Tilman J.; Sturzenegger, Marcel; et al. (2008)
    Chemical Engineering Science
  • Synthesis and Evaluation of Titania Powders for Photocatalysis of Phenol
    Item type: Journal Article
    Fotou, G.P.; Vemury, S.; Pratsinis, Sotiris E. (1994)
    Chemical Engineering Science
  • Design of aerosol particle coating: Thickness, texture and efficiency
    Item type: Journal Article
    Buesser, Beat; Pratsinis, Sotiris E. (2010)
    Chemical Engineering Science
  • CO2 splitting in an aerosol flow reactor via the two-step Zn/ZnO solar thermochemical cycle
    Item type: Journal Article
    Loutzenhiser, Peter G.; Gálvez, M. Elena; Hischier, Illias; et al. (2010)
    Chemical Engineering Science
  • Drop coalescence in planar extensional flow and gravity
    Item type: Journal Article
    Jeelani, S. A.K.; Windhab, Erich J. (2009)
    Chemical Engineering Science
Publications1 - 10 of 199