Simulation of automotive NH3 oxidation catalysts based on pre-computed rate data from mechanistic surface kinetics
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Logarithmic transformations have been used for gas-phase mass fractions, and preprocessing data as log(r), log(p_i) and 1/T is well known to facilitate modeling of surface kinetics.
“Logarithmic transfor-mations have been used for gas-phase mass fractions 6,11,37 while preprocessing data as log(r), log(p i ) and 1/T is well known to facilitate modeling of surface kinetics 14,15,17,19,27,29 .”
From Efficient neural network models of chemical kinetics using a latent asinh rate transformation (2023) · cites this paper as [15]
For heterogeneous catalysis, timescales of surface reactions and the gas phase are usually separable via the steady state approximation.
“For heterogeneous catalysis, timescales of surface reactions and the gas phase are usually separable via the steady state approximation.2,[14][15][16][17]”
From Efficient neural network models of chemical kinetics using a latent asinh rate transformation (2023) · cites this paper as [15]
Surrogate models like splines have been extensively used to map pre-computed steady-state solutions of chemical kinetics for accelerating reactor simulations or subsystems of the reactor.
“Surrogate models like splines have been extensively used to map pre-computed steady-state solutions of chemical kinetics for accelerating reactor simulations 14,15,19,[26][27][28][29] or even subsystems of the reactor 30,31 .”
From Efficient neural network models of chemical kinetics using a latent asinh rate transformation (2023) · cites this paper as [15]
Cites
NEW METHOD FOR PREDICTION OF BINARY GAS-PHASE DIFFUSION COEFFICIENTS
Fuller, E. N., Schettler, P. D., & Giddings, J. C. (1966) · Industrial & Engineering Chemistry · doi:10.1021/ie50677a007 · Cited by 2,515 · see citing works
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Modeling the simultaneous oxidation of CO and H2 on Pt – Promoting effect of H2 on the CO-light-off
Hauptmann, W., Votsmeier, M., Vogel, H., & Vlachos, D. G. (2011) · Applied Catalysis A: General · doi:10.1016/j.apcata.2011.02.031 · Cited by 55 · see citing works
Self-citationComputational Fluid Dynamics of Reacting Flows at Surfaces: Methodologies and Applications
Micale, D., Ferroni, C., Uglietti, R., Bracconi, M., & Maestri, M. (2022) · Chemie Ingenieur Technik · doi:10.1002/cite.202100196 · Cited by 41 · see citing works
Döppel, F. A., & Votsmeier, M. (2022) · Chemical Engineering Science · doi:10.1016/j.ces.2022.117964 · Cited by 38 · see citing works
Self-citationEfficient neural network models of chemical kinetics using a latent asinh rate transformation
Döppel, F. A., & Votsmeier, M. (2023) · Reaction Chemistry & Engineering · doi:10.1039/d3re00212h · Cited by 24 · see citing works
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- Authors
- Votsmeier, M., Scheuer, A., Drochner, A., Vogel, H., & Gieshoff, J.
- Affiliations
- Umicore (Germany) (DE)
- Technische Universität Darmstadt (DE)
- Corresponding author
- Votsmeier, M.
- Venue
- Catalysis Today
- Publisher
- Elsevier BV
- Published
- 2010-06
- Volume
- 151
- Issue
- 3-4
- Pages
- 271-277
- ISSN
- 0920-5861 (ISSN-L)
- OpenAlex
- W2007822606
- Cited by
- 52
- References
- 1
- Citations by year
- 2026: 4 · 2025: 3 · 2024: 6 · 2023: 2 · 2022: 4 · 2021: 4 · 2020: 1 · 2018: 3 · 2017: 1 · 2016: 3 · 2015: 2 · 2014: 7 · 2013: 2 · 2012: 3
- FWCI
- 1.89
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Catalysis Today (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Catalytic Processes in Materials Science
- Physical Sciences › Engineering › Computational Mechanics › Heat and Mass Transfer in Porous Media
- Physical Sciences › Chemical Engineering › Fluid Flow and Transfer Processes › Advanced Combustion Engine Technologies
- Keywords
- ammonia oxidation catalysts, automotive exhaust aftertreatment, spline interpolation, reactor modeling, monolith reactor, diffusion limitation, N2O selectivity, NO selectivity
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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
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Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
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