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Efficient implementation of detailed surface chemistry into reactor models using mapped rate data
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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 [14]
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 [14]
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 [14]
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Research works printed but not linked: 26
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Self-citation
Metadata
- Authors
- Votsmeier, M.
- Affiliations
- Umicore (Germany) (DE)
- Corresponding author
- Votsmeier, Martin
- ORCID
- Votsmeier, Martin
- Venue
- Chemical Engineering Science
- Publisher
- Elsevier BV
- Published
- 2009-04
- Volume
- 64
- Issue
- 7
- Pages
- 1384-1389
- ISSN
- 0009-2509 (ISSN-L)
- OpenAlex
- W2066704740
- Cited by
- 58
- References
- 0
- Citations by year
- 2026: 3 · 2025: 5 · 2024: 5 · 2023: 1 · 2022: 5 · 2021: 3 · 2020: 1 · 2019: 2 · 2018: 5 · 2017: 3 · 2016: 4 · 2015: 4 · 2014: 2 · 2013: 3 · 2012: 5
- FWCI
- 1.19
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Chemical Engineering Science (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Catalytic Processes in Materials Science
- Physical Sciences › Chemical Engineering › Fluid Flow and Transfer Processes › Advanced Combustion Engine Technologies
- Physical Sciences › Engineering › Computational Mechanics › Heat and Mass Transfer in Porous Media
- Keywords
- spline interpolation, methane oxidation, platinum catalysts, monolith reactor, washcoat, reactor simulation, computational efficiency, CFD coupling
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