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International Journal for Multiscale Computational Engineering

Erscheint 6 Ausgaben pro Jahr

ISSN Druckformat: 1543-1649

ISSN Online: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

From Density Functional Theory to Microchemical Device Homogenization: Model Prediction of Hydrogen Production For Portable Fuel Cells

Volumen 2, Ausgabe 2, 2004, 19 pages
DOI: 10.1615/IntJMultCompEng.v2.i2.40
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ABSTRAKT

Microchemical devices exhibit a wide spectrum of length and time scales. In this paper, we discuss hierarchical multiscale simulation of structured microreactors with square posts. Semiempirical models are used in conjunction with density functional theory to develop quantitative microkinetic models. Sensitivity Analysis (SA) and a posteriori zero-order asymptotics are employed to derive a one-step reaction rate expression that enables efficient computational fluid dynamics (CFD) simulations. The effects of catalyst surface area and dimensionality on microreactor performance are discussed. It is shown that the post microreactor exhibits nearly perfect mixing in the transverse direction, but significant back mixing in the longitudinal direction, especially at low Peclet numbers. A 1D diffusion-convection-reaction (DCR) model, with an effective diffusivity computed using homogenization theory, is employed and found to adequately describe the CFD simulations. This 1D DCR reactor model with one-step reaction model could be an efficient means for reactor optimization while retaining features from diverse scales ranging from quantum mechanics to device structural characteristics.

REFERENZIERT VON
  1. Collins Stuart D., Chatterjee Abhijit, Vlachos Dionisios G., Coarse-grained kinetic Monte Carlo models: Complex lattices, multicomponent systems, and homogenization at the stochastic level, The Journal of Chemical Physics, 129, 18, 2008. Crossref

  2. Deshmukh S. R., Vlachos D. G., Novel micromixers driven by flow instabilities: Application to post-reactors, AIChE Journal, 51, 12, 2005. Crossref

  3. Vlachos D.G., Mhadeshwar A.B., Kaisare N.S., Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing, Computers & Chemical Engineering, 30, 10-12, 2006. Crossref

  4. Mhadeshwar A.B., Vlachos D.G., Is the water–gas shift reaction on Pt simple?, Catalysis Today, 105, 1, 2005. Crossref

  5. Salciccioli M., Stamatakis M., Caratzoulas S., Vlachos D.G., A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior, Chemical Engineering Science, 66, 19, 2011. Crossref

  6. Yin Shuang-Feng, Xu Bo-Qing, Wang Shui-Ju, Au Chak-Tong, Nanosized Ru on high-surface-area superbasic ZrO2-KOH for efficient generation of hydrogen via ammonia decomposition, Applied Catalysis A: General, 301, 2, 2006. Crossref

  7. Koehle Maura, Mhadeshwar Ashish, Microkinetic modeling and analysis of ethanol partial oxidation and reforming reaction pathways on platinum at short contact times, Chemical Engineering Science, 78, 2012. Crossref

  8. Ungerböck Birgit, Pohar Andrej, Mayr Torsten, Plazl Igor, Online oxygen measurements inside a microreactor with modeling of transport phenomena, Microfluidics and Nanofluidics, 14, 3-4, 2013. Crossref

  9. Merotto L., Fanciulli C., Dondè R., De Iuliis S., Study of a thermoelectric generator based on a catalytic premixed meso-scale combustor, Applied Energy, 162, 2016. Crossref

  10. Merotto L., Dondè R., De Iuliis S., Study of the performance of a catalytic premixed meso-scale burner, Experimental Thermal and Fluid Science, 73, 2016. Crossref

  11. Izadi Mahtab, Rahimi Masoud, Beigzadeh Reza, An investigation of mixing performance in helically coiled microchannels by the Villermaux/Dushman reaction, Chemical Engineering Research and Design, 134, 2018. Crossref

  12. Goyal Himanshu, Vlachos Dionisios G., Multiscale modeling of microwave-heated multiphase systems, Chemical Engineering Journal, 397, 2020. Crossref

  13. Motagamwala Ali Hussain, Dumesic James A., Microkinetic Modeling: A Tool for Rational Catalyst Design, Chemical Reviews, 121, 2, 2021. Crossref

  14. Deshmukh S. R., Vlachos D. G., CFD Simulations of Coupled, Countercurrent Combustor/Reformer Microdevices for Hydrogen Production, Industrial & Engineering Chemistry Research, 44, 14, 2005. Crossref

  15. Mhadeshwar A. B., Vlachos D. G., Hierarchical Multiscale Mechanism Development for Methane Partial Oxidation and Reforming and for Thermal Decomposition of Oxygenates on Rh, The Journal of Physical Chemistry B, 109, 35, 2005. Crossref

  16. Mhadeshwar A. B., Vlachos D. G., A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum, Industrial & Engineering Chemistry Research, 46, 16, 2007. Crossref

  17. Alfadhel Khaled, Kothare Mayuresh V., Modeling of Multicomponent Concentration Profiles in Membrane Microreactors, Industrial & Engineering Chemistry Research, 44, 26, 2005. Crossref

  18. Goyal Himanshu, Chen Tai-Ying, Chen Weiqi, Vlachos Dionisios G., A review of microwave-assisted process intensified multiphase reactors, Chemical Engineering Journal, 430, 2022. Crossref

  19. Kaisare Niket S., Stefanidis Georgios D., Vlachos Dionisios G., Transport Phenomena in Microscale Reacting Flows, in Micro Process Engineering, 2009. Crossref

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