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Thermodynamic Consistency in Microkinetic Development of Surface Reaction Mechanisms

https://doi.org/10.1021/jp034954y
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/aic.690461013openalex-snapshot
Construction and optimization of complex surface‐reaction mechanisms
inferredcites →https://doi.org/10.1006/jcat.1996.0016openalex-snapshot
A Microkinetic Analysis of the Water–Gas Shift Reaction under Industrial Conditions
inferredcites →https://doi.org/10.1006/jcat.1997.1447openalex-snapshot
The Kinetics of Ammonia Synthesis over Ru-Based Catalysts
inferredcites →https://doi.org/10.1006/jcat.1997.1459openalex-snapshot
Intrinsic Activation Barriers as a Guide to Mechanisms of Reactions in the Gas Phase and on Solid Surfaces
inferredcites →https://doi.org/10.1006/jcat.1997.1468openalex-snapshot
Transient Isotopic Studies and Microkinetic Modeling of Methane Reforming over Nickel Catalysts
inferredcites →https://doi.org/10.1006/jcat.2000.3018openalex-snapshot
First-Principles-Based Monte Carlo Simulation of Ethylene Hydrogenation Kinetics on Pd
inferredcites →https://doi.org/10.1007/978-1-4757-9643-8openalex-snapshot
Chemical Kinetics and Catalysis
inferredcites →https://doi.org/10.1007/978-981-10-1128-3openalex-snapshot
Foundations of Molecular Modeling and Simulation
inferredcites →https://doi.org/10.1016/0021-9517(88)90291-6openalex-snapshot
An interpretation of the high-pressure kinetics of ammonia synthesis based on a microscopic model
inferredcites →https://doi.org/10.1016/0021-9517(89)90080-8openalex-snapshot
Kinetic simulation of ammonia synthesis catalysis
inferredcites →https://doi.org/10.1016/0039-6028(82)90703-8openalex-snapshot
Adsorption of nitrogen on potassium promoted Fe(111) and (100) surfaces
inferredcites →https://doi.org/10.1016/0039-6028(88)90566-3openalex-snapshot
The application of surface kinetic data to the industrial synthesis of ammonia
inferredcites →https://doi.org/10.1016/0039-6028(88)90567-5openalex-snapshot
Comment on ‘the application of surface kinetic data to the industrial synthesis of ammonia’ by M. Bowker, I. Parker and K.C. Waugh
inferredcites →https://doi.org/10.1016/0167-5729(91)90011-lopenalex-snapshot
Arrhenius parameters for rate processes on solid surfaces
inferredcites →https://doi.org/10.1016/s0009-2509(02)00592-4openalex-snapshot
Front propagation at low temperatures and multiscale modeling for the catalytic combustion of H2 on Pt
inferredcites →https://doi.org/10.1016/s0021-9517(02)00045-3openalex-snapshot
A C1 mechanism for methane oxidation on platinum
inferredcites →https://doi.org/10.1016/s0039-6028(00)00600-2openalex-snapshot
Oxidation of methanol on platinum, ruthenium and mixed Pt–M metals (M=Ru, Sn): a theoretical study
inferredcites →https://doi.org/10.1016/s0039-6028(01)02025-8openalex-snapshot
Intrinsic activation barriers and coadsorption effects for reactions on metal surfaces: unified formalism within the UBI-QEP approach
inferredcites →https://doi.org/10.1016/s0039-6028(02)01689-8openalex-snapshot
A UBI–QEP microkinetic model for the water–gas shift reaction on Cu()
inferredcites →https://doi.org/10.1016/s0039-6028(98)00663-3openalex-snapshot
CO2-reforming of methane on transition metal surfaces
inferredcites →https://doi.org/10.1016/s0079-6816(00)00019-8openalex-snapshot
Microkinetic simulation of catalytic reactions
inferredcites →https://doi.org/10.1016/s0082-0784(00)80347-1openalex-snapshot
A detailed surface reaction mechanism for CO oxidation on Pt
inferredcites →https://doi.org/10.1016/s0098-1354(01)00695-0openalex-snapshot
A systematic method for reaction invariants and mole balances for complex chemistries
inferredcites →https://doi.org/10.1016/s0098-1354(02)00021-2openalex-snapshot
The role of adsorbate-layer nonuniformities in catalytic reactor design: multiscale simulations for CO oxidation on Pt
inferredcites →https://doi.org/10.1016/s0166-9834(00)84348-1openalex-snapshot
Extrapolation of the kinetics of model ammonia synthesis catalysts to industrially relevant temperatures and pressures
inferredcites →https://doi.org/10.1016/s0167-2991(99)80128-1openalex-snapshot
Catalysis from first principles
inferredcites →https://doi.org/10.1016/s0167-5729(97)00016-2openalex-snapshot
The UBI-QEP method: A practical theoretical approach to understanding chemistry on transition metal surfaces
inferredcites →https://doi.org/10.1016/s0360-0564(08)60364-8openalex-snapshot
The Bond-Order Conservation Approach to Chemisorption and Heterogeneous Catalysis: Applications and Implications
inferredcites →https://doi.org/10.1016/s0920-5861(00)00368-0openalex-snapshot
Micro-kinetic analysis and Monte Carlo simulation in methane partial oxidation into synthesis gas
inferredcites →https://doi.org/10.1016/s0920-5861(99)00114-5openalex-snapshot
Prediction of global reaction kinetics by solution of the Arrhenius parameterised component elementary reactions: microkinetic analysis
inferredcites →https://doi.org/10.1016/s0926-860x(00)00648-7openalex-snapshot
Applications of molecular modeling in heterogeneous catalysis research
inferredcites →https://doi.org/10.1016/s1351-4180(02)00754-7openalex-snapshot
Chemical kinetics and catalysis
inferredcites →https://doi.org/10.1016/s1385-8947(02)00065-7openalex-snapshot
Recent developments on multiscale, hierarchical modeling of chemical reactors
inferredcites →https://doi.org/10.1016/s1540-7489(02)80126-2openalex-snapshot
Surface reaction mechanism development for platinum-catalyzed oxidation of methane
inferredcites →https://doi.org/10.1016/s1874-5970(00)x8001-0openalex-snapshot
Linear Algebra and Linear Operators in Engineering - With Applications in Mathematica
inferredcites →https://doi.org/10.1021/cr60019a001openalex-snapshot
Acid and Basic Catalysis.
inferredcites →https://doi.org/10.1021/i160006a002openalex-snapshot
Independence of Chemical Reactions
inferredcites →https://doi.org/10.1021/ie00057a009openalex-snapshot
Microkinetic analysis of methane dimerization reaction
inferredcites →https://doi.org/10.1021/ie950608uopenalex-snapshot
Microkinetics of Water−Gas Shift over Sulfided Mo/Al 2 O 3 Catalysts
inferredcites →https://doi.org/10.1021/ie960661yopenalex-snapshot
Microkinetics Modeling of the Hydroisomerization of n-Hexane
inferredcites →https://doi.org/10.1021/j100183a067openalex-snapshot
Microkinetic analysis of diverse experimental data for ethylene hydrogenation on platinum
inferredcites →https://doi.org/10.1021/j100193a051openalex-snapshot
Steps in the reaction hydrogen + oxygen .dblharw. water on platinum: hydroxy desorption at high temperatures
inferredcites →https://doi.org/10.1021/ja000674+openalex-snapshot
A Simple Method for Calculating Quantum Effects on the Temperature Dependence of Bimolecular Reaction Rates: Application to H 2 + H → H + H 2 and CH 4 + H → CH 3 + H 2
inferredcites →https://doi.org/10.1021/jp990556copenalex-snapshot
A Statistical Mechanical Perspective on the Temperature Dependence of the Isosteric Heat of Adsorption and Adsorbed Phase Heat Capacity
inferredcites →https://doi.org/10.1021/la981376hopenalex-snapshot
Microkinetic Models of Catalytic Reactions on Nonuniform Surfaces: Application to Model and Real Systems
inferredcites →https://doi.org/10.1039/tf9343001164openalex-snapshot
Exchange reactions of hydrogen on metallic catalysts
inferredcites →https://doi.org/10.1039/tf9383400011openalex-snapshot
Inertia and driving force of chemical reactions
inferredcites →https://doi.org/10.1063/1.1343836openalex-snapshot
CO oxidation on Pt(111)—Scanning tunneling microscopy experiments and Monte Carlo simulations
inferredcites →https://doi.org/10.1063/1.481715openalex-snapshot
Thermodynamic consistency of reaction mechanisms and null cycles
inferredcites →https://doi.org/10.1080/00401706.1988.10488371openalex-snapshot
Empirical Model Building and Response Surfaces
inferredcites →https://doi.org/10.1080/01614949508006451openalex-snapshot
Concepts in Theoretical Heterogeneous Catalytic Reactivity
inferredcites →https://doi.org/10.1098/rspa.1976.0128openalex-snapshot
The experimental and computational determination of complex chemical kinetics mechanisms
inferredcites →https://doi.org/10.1103/physrevlett.55.2502openalex-snapshot
Bridging the "Pressure Gap" between Ultrahigh-Vacuum Surface Physics and High-Pressure Catalysis
inferredcites →https://doi.org/10.1116/1.574677openalex-snapshot
A description of the high-pressure ammonia synthesis reaction based on surface science
inferredcites →https://doi.org/10.2172/6128661openalex-snapshot
Surface CHEMKIN (Version 4. 0): A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface---gas-phase interface

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4835124openalex-extracted
Intrinsic Microkinetic Effects of Spray-Drying and Sic Co-Support on Mn-Na2wo4 Catalyst Used in Oxidative Coupling of Methane
inferred← citeshttps://doi.org/10.1002/9781118843468.ch8openalex-snapshot
Catalytic Kinetics and Dynamics
inferred← citeshttps://doi.org/10.1002/9783527610044.hetcat0079openalex-snapshot
Theoretical Modelling of Catalytic Reactions
inferred← citeshttps://doi.org/10.1002/9783527610044.hetcat0097openalex-snapshot
Computational Fluid Dynamics Simulation of Catalytic Reactors
inferred← citeshttps://doi.org/10.1002/9783527639878.ch4openalex-snapshot
Modeling the Rate of Heterogeneous Reactions
inferred← citeshttps://doi.org/10.1002/9783527639878.ch7openalex-snapshot
Evaluation of Models for Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1002/9783527645824.ch10openalex-snapshot
Microkinetic Analysis of Complex Chemical Processes at Surfaces
inferred← citeshttps://doi.org/10.1002/aic.11767openalex-snapshot
A C1 microkinetic model for methane conversion to syngas on Rh/Al2O3
inferred← citeshttps://doi.org/10.1002/aic.14322openalex-snapshot
Advanced solution methods for microkinetic models of catalytic reactions: A methanol synthesis case study
inferred← citeshttps://doi.org/10.1002/aic.15520openalex-snapshot
Investigating dry reforming of methane with spatial reactor profiles and particle‐resolved CFD simulations
inferred← citeshttps://doi.org/10.1002/cite.201100125openalex-snapshot
Model‐Based Optimization of Urea Dosage for SCR Catalysts
inferred← citeshttps://doi.org/10.1002/cite.201100133openalex-snapshot
High Temperature Catalysis: Efficient Way for Chemical Conversion of Logistic Fuels
inferred← citeshttps://doi.org/10.1002/cite.201700155openalex-snapshot
New Approach for the Non‐redundant Modeling of Complex Chemical Reactions
inferred← citeshttps://doi.org/10.1002/jcc.26861openalex-snapshot
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions
inferred← citeshttps://doi.org/10.1002/kin.20772openalex-snapshot
Time‐Varying Flexible Least Squares for Thermal Desorption of Gases
inferred← citeshttps://doi.org/10.1007/978-3-319-44680-6_5openalex-snapshot
Microkinetic Modeling of Surface Catalysis
inferred← citeshttps://doi.org/10.1007/978-3-319-49347-3_27openalex-snapshot
Modeling Refining Processes
inferred← citeshttps://doi.org/10.1007/978-3-319-50257-1_5-1openalex-snapshot
Microkinetic Modeling of Surface Catalysis
inferred← citeshttps://doi.org/10.1007/978-3-642-30367-8_11openalex-snapshot
Numerical Simulation of Catalytic Reactors by Molecular-Based Models
inferred← citeshttps://doi.org/10.1007/978-3-662-56434-9_22openalex-snapshot
Reaktoren für Fluid-Feststoff-Reaktionen: Festbettreaktoren
inferred← citeshttps://doi.org/10.1007/978-3-662-56444-8_22-1openalex-snapshot
Reaktoren für Fluid-Feststoff-Reaktionen: Festbettreaktoren
inferred← citeshttps://doi.org/10.1007/978-3-662-69921-8_18openalex-snapshot
Reactors for Fluid-Solid Reactions: Fixed Bed Reactors
inferred← citeshttps://doi.org/10.1007/s10562-014-1431-1openalex-snapshot
Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase
inferred← citeshttps://doi.org/10.1007/s10874-015-9312-6openalex-snapshot
Determination of aldehydes and acetone in fog water samples via online concentration and HPLC
inferred← citeshttps://doi.org/10.1007/s11244-009-9369-zopenalex-snapshot
A Fast Approach to Predictive Models: NO-Oxidation in Exhaust Gas Aftertreatment Systems
inferred← citeshttps://doi.org/10.1007/s11244-011-9702-1openalex-snapshot
Steam Reforming of Methane Over Nickel: Development of a Multi-Step Surface Reaction Mechanism
inferred← citeshttps://doi.org/10.1007/s11244-012-9805-3openalex-snapshot
Estimating the Thermochemistry of Adsorbates Based Upon Gas-Phase Properties
inferred← citeshttps://doi.org/10.1007/s11244-018-1087-yopenalex-snapshot
Formaldehyde Oxidation Over Platinum: On the Kinetics Relevant to Exhaust Conditions of Lean-Burn Natural Gas Engines
inferred← citeshttps://doi.org/10.1007/s11426-017-9066-9openalex-snapshot
Challenges and perspectives of combustion chemistry research
inferred← citeshttps://doi.org/10.1016/b978-0-12-386874-9.00001-4openalex-snapshot
Fuel Processing for Fuel Cells
inferred← citeshttps://doi.org/10.1016/b978-0-12-800422-7.00002-9openalex-snapshot
Spatial Resolution of Species and Temperature Profiles in Catalytic Reactors
inferred← citeshttps://doi.org/10.1016/j.apcata.2011.02.031openalex-snapshot
Modeling the simultaneous oxidation of CO and H2 on Pt – Promoting effect of H2 on the CO-light-off
inferred← citeshttps://doi.org/10.1016/j.apcata.2025.120571openalex-snapshot
Experimental and microkinetic investigation of thermo-catalytic ammonia decomposition over a Ba-promoted Ru/Ni-BCZY catalyst for use in ammonia-fed protonic ceramic cells
inferred← citeshttps://doi.org/10.1016/j.apcatb.2009.02.012openalex-snapshot
Microkinetic modeling for hydrocarbon (HC)-based selective catalytic reduction (SCR) of NO on a silver-based catalyst
inferred← citeshttps://doi.org/10.1016/j.apcatb.2009.09.008openalex-snapshot
Inverse hysteresis during the NO oxidation on Pt under lean conditions
inferred← citeshttps://doi.org/10.1016/j.apcatb.2011.10.032openalex-snapshot
Dual layer automotive ammonia oxidation catalysts: Experiments and computer simulation
inferred← citeshttps://doi.org/10.1016/j.apcatb.2012.08.021openalex-snapshot
A detailed microkinetic model for diesel engine emissions oxidation on platinum based diesel oxidation catalysts (DOC)
inferred← citeshttps://doi.org/10.1016/j.apcatb.2013.12.043openalex-snapshot
Oxidative coupling of methane: catalytic behaviour assessment via comprehensive microkinetic modelling
inferred← citeshttps://doi.org/10.1016/j.apcatb.2015.10.004openalex-snapshot
Modeling of three-way catalytic converter performance with exhaust mixture from natural gas-fueled engines
inferred← citeshttps://doi.org/10.1016/j.apcatb.2016.06.019openalex-snapshot
Quantitative screening of an extended oxidative coupling of methane catalyst library
inferred← citeshttps://doi.org/10.1016/j.apcatb.2016.11.005openalex-snapshot
Dynamic oxygen storage modeling in a three-way catalyst for natural gas engines: A dual-site and shrinking-core diffusion approach
inferred← citeshttps://doi.org/10.1016/j.apcatb.2017.08.025openalex-snapshot
Microkinetic modeling of H2SO4 formation on Pt based diesel oxidation catalysts
inferred← citeshttps://doi.org/10.1016/j.apcatb.2020.119408openalex-snapshot
On the kinetics of the co-methanation of CO and CO2 on a co-precipitated Ni-Al catalyst
inferred← citeshttps://doi.org/10.1016/j.cattod.2005.04.003openalex-snapshot
Is the water–gas shift reaction on Pt simple?
inferred← citeshttps://doi.org/10.1016/j.cattod.2008.01.017openalex-snapshot
Autothermal reforming of tetradecane (C14H30): A mechanistic approach
inferred← citeshttps://doi.org/10.1016/j.cattod.2008.02.026openalex-snapshot
Microkinetics of methane oxidative coupling
inferred← citeshttps://doi.org/10.1016/j.cattod.2011.03.081openalex-snapshot
Optimal design of a CH4 CPO-reformer with honeycomb catalyst: Combined effect of catalyst load and channel size on the surface temperature profile
inferred← citeshttps://doi.org/10.1016/j.cattod.2022.04.002openalex-snapshot
Kinetics-informed neural networks
inferred← citeshttps://doi.org/10.1016/j.cej.2015.01.015openalex-snapshot
Experimental and modeling study of selective ammonia oxidation on multi-functional washcoated monolith catalysts
inferred← citeshttps://doi.org/10.1016/j.cej.2016.12.042openalex-snapshot
Kinetic model for the reversible deactivation of a Pt/Al2O3 catalyst during NO oxidation
inferred← citeshttps://doi.org/10.1016/j.cej.2020.126023openalex-snapshot
Single-event kinetic model for methanol-to-olefins (MTO) over ZSM-5: Fundamental kinetics for the olefin co-feed reactivity
inferred← citeshttps://doi.org/10.1016/j.cej.2021.129377openalex-snapshot
TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments
inferred← citeshttps://doi.org/10.1016/j.cej.2021.130493openalex-snapshot
Ethylene production by direct conversion of methane over isolated single active centers
inferred← citeshttps://doi.org/10.1016/j.cej.2023.144623openalex-snapshot
Unraveling the promoter role of Ba in Co–Ce catalysts for ammonia decomposition using microkinetic modeling
inferred← citeshttps://doi.org/10.1016/j.ces.2006.02.038openalex-snapshot
Experimental and numerical investigation of the catalytic partial oxidation of CH4/O2 mixtures diluted with H2O and CO2 in a short contact time reactor
inferred← citeshttps://doi.org/10.1016/j.ces.2008.02.024openalex-snapshot
Two-dimensional detailed modeling of fuel-rich H2 combustion over Rh/Al2O3 catalyst
inferred← citeshttps://doi.org/10.1016/j.ces.2011.05.050openalex-snapshot
A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior
inferred← citeshttps://doi.org/10.1016/j.ces.2011.07.007openalex-snapshot
Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells
inferred← citeshttps://doi.org/10.1016/j.ces.2012.05.017openalex-snapshot
Microkinetic modeling and analysis of ethanol partial oxidation and reforming reaction pathways on platinum at short contact times
inferred← citeshttps://doi.org/10.1016/j.ces.2012.11.004openalex-snapshot
Kinetics of hydrogen oxidation on Rh/Al2O3 catalysts studied in a stagnation-flow reactor
inferred← citeshttps://doi.org/10.1016/j.ces.2018.12.036openalex-snapshot
Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming
inferred← citeshttps://doi.org/10.1016/j.ces.2020.115746openalex-snapshot
A new way to develop reaction network automatically via DFT-based adaptive kinetic Monte Carlo
inferred← citeshttps://doi.org/10.1016/j.ces.2025.122078openalex-snapshot
On the importance of thermodynamic consistency to DFT-based microkinetic analysis of complex heterogeneous reactions with multiple pathways
inferred← citeshttps://doi.org/10.1016/j.checat.2021.12.006openalex-snapshot
Catalytic resonance theory: Negative dynamic surfaces for programmable catalysts
inferred← citeshttps://doi.org/10.1016/j.cherd.2022.05.030openalex-snapshot
Quo vadis multiscale modeling in reaction engineering? – A perspective
inferred← citeshttps://doi.org/10.1016/j.combustflame.2005.01.019openalex-snapshot
A thermodynamically consistent surface reaction mechanism for CO oxidation on Pt
inferred← citeshttps://doi.org/10.1016/j.combustflame.2007.02.006openalex-snapshot
A reduced mechanism for methane and one-step rate expressions for fuel-lean catalytic combustion of small alkanes on noble metals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2009.07.012openalex-snapshot
Methane ignition catalyzed by in situ generated palladium nanoparticles
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2006.05.033openalex-snapshot
Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2009.12.007openalex-snapshot
Development of a thermodynamically consistent kinetic model for reactions in the solid oxide fuel cell
inferred← citeshttps://doi.org/10.1016/j.cpc.2019.106864openalex-snapshot
A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation
inferred← citeshttps://doi.org/10.1016/j.electacta.2020.135620openalex-snapshot
A detailed kinetic model for the reduction of oxygen on LSCF-GDC composite cathodes
inferred← citeshttps://doi.org/10.1016/j.icheatmasstransfer.2026.112300openalex-snapshot
Transport intensification and thermo-hydraulic optimization of catalytic hydrogen oxidation channel reactors via reacting-wall geometry modification
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2017.03.220openalex-snapshot
Kinetic interplay between hydrogen and carbon monoxide in syngas-fueled catalytic micro-combustors
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2018.05.125openalex-snapshot
Catalytic partial oxidation of methane for the production of syngas using microreaction technology: A computational fluid dynamics study
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2019.07.040openalex-snapshot
Microkinetic modelling and reaction pathway analysis of the steam reforming of ethanol over Ni/SiO2
inferred← citeshttps://doi.org/10.1016/j.isci.2023.107029openalex-snapshot
Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling
inferred← citeshttps://doi.org/10.1016/j.jcat.2005.05.016openalex-snapshot
Hierarchical, multiscale surface reaction mechanism development: CO and H2 oxidation, water–gas shift, and preferential oxidation of CO on Rh
inferred← citeshttps://doi.org/10.1016/j.jcat.2008.08.008openalex-snapshot
Steam and dry reforming of methane on Rh: Microkinetic analysis and hierarchy of kinetic models
inferred← citeshttps://doi.org/10.1016/j.jcat.2008.09.018openalex-snapshot
Kinetic modeling of the oxidation of CO on Fe2O3 catalyst in excess of O2
inferred← citeshttps://doi.org/10.1016/j.jcat.2010.03.012openalex-snapshot
Spatially resolved catalysis in microstructured reactors by IR spectroscopy: CO oxidation over mono- and bifunctional Pt catalysts
inferred← citeshttps://doi.org/10.1016/j.jcat.2010.08.007openalex-snapshot
Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams
inferred← citeshttps://doi.org/10.1016/j.jcat.2011.08.009openalex-snapshot
Microkinetic modeling of the fast selective catalytic reduction of nitrogen oxide with ammonia on H-ZSM5 based on first principles
inferred← citeshttps://doi.org/10.1016/j.jcat.2016.03.013openalex-snapshot
Effect of errors in linear scaling relations and Brønsted–Evans–Polanyi relations on activity and selectivity maps
inferred← citeshttps://doi.org/10.1016/j.jcat.2021.12.005openalex-snapshot
Consequences of adsorbate-adsorbate interactions for apparent kinetics of surface catalytic reactions
inferred← citeshttps://doi.org/10.1016/j.jcat.2026.116958openalex-snapshot
Robust extraction of thermodynamically consistent neural-network-based kinetic models from reactor data: Methanation, methanol synthesis, and dimethyl ether synthesis
inferred← citeshttps://doi.org/10.1016/j.jiec.2025.06.040openalex-snapshot
Microkinetic modelling of CO2 and methane conversion into syngas on a low metal-loaded Rh/Al2O3 catalyst: Effect of co-feeding reaction products
inferred← citeshttps://doi.org/10.1016/j.memsci.2010.01.012openalex-snapshot
The effect of heat treatment in air on CO inhibition of a ∼3μm Pd–Ag (23wt.%) membrane
inferred← citeshttps://doi.org/10.1016/j.pecs.2016.04.003openalex-snapshot
Progress in the direct catalytic conversion of methane to fuels and chemicals
inferred← citeshttps://doi.org/10.1016/j.pecs.2018.10.005openalex-snapshot
Progress in non-intrusive laser-based measurements of gas-phase thermoscalars and supporting modeling near catalytic interfaces
inferred← citeshttps://doi.org/10.1016/j.proci.2010.06.121openalex-snapshot
Temperature-dependent gas-surface chemical kinetic model for methane ignition catalyzed by in situ generated palladium nanoparticles
inferred← citeshttps://doi.org/10.1016/j.proci.2018.06.183openalex-snapshot
Combustion research for chemical processing
inferred← citeshttps://doi.org/10.1016/j.proci.2022.06.001openalex-snapshot
Heterogeneous chemical reactions—A cornerstone in emission reduction of local pollutants and greenhouse gases
inferred← citeshttps://doi.org/10.1016/s0167-2991(06)81533-8openalex-snapshot
Automotive applications of chemical reaction engineering and future research needs
inferred← citeshttps://doi.org/10.1016/s1570-7946(06)80022-2openalex-snapshot
Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing
inferred← citeshttps://doi.org/10.1021/acs.analchem.8b00359openalex-snapshot
Highly Sensitive and Exceptionally Wide Dynamic Range Detection of Ammonia Gas by Indium Hexacyanoferrate Nanoparticles Using FTIR Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00394openalex-snapshot
Microkinetic Modeling: A Tool for Rational Catalyst Design
inferred← citeshttps://doi.org/10.1021/acs.iecr.0c02685openalex-snapshot
Microkinetic Modeling and Analysis of CO2 Methanation on Ruthenium
inferred← citeshttps://doi.org/10.1021/acs.iecr.5b00563openalex-snapshot
Density Functional Theory-Assisted Microkinetic Analysis of Methane Dry Reforming on Ni Catalyst
inferred← citeshttps://doi.org/10.1021/acs.iecr.6b00477openalex-snapshot
Spatiotemporal Modeling and Parametric Estimation of Isothermal CO2 Adsorption Columns
inferred← citeshttps://doi.org/10.1021/acs.iecr.6b02701openalex-snapshot
Catalytic Chemistry for Methane Dehydroaromatization (MDA) on a Bifunctional Mo/HZSM-5 Catalyst in a Packed Bed
inferred← citeshttps://doi.org/10.1021/acs.iecr.7b01687openalex-snapshot
Microkinetic Analysis of the Methane Steam Reforming on a Ru-Supported Catalytic Wall Reactor
inferred← citeshttps://doi.org/10.1021/acs.iecr.8b01592openalex-snapshot
Numerical Modeling of Hydroperoxyl-Mediated Oxidative Dehydrogenation of Formic Acid under SCR-Relevant Conditions
inferred← citeshttps://doi.org/10.1021/acs.iecr.8b01957openalex-snapshot
Microkinetic Modeling and Reduced Rate Expression of the Water–Gas Shift Reaction on Nickel
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c02167openalex-snapshot
Influence of Coverage Dependence on the Thermophysical Properties of Adsorbates and Its Impact on Microkinetic Models
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b04525openalex-snapshot
Experimental Study and Mathematical Modeling of Self-Sustained Kinetic Oscillations in Catalytic Oxidation of Methane over Nickel
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c04009openalex-snapshot
Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c04754openalex-snapshot
Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08179openalex-snapshot
Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept
inferred← citeshttps://doi.org/10.1021/acscatal.2c04246openalex-snapshot
Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH3OH–Cu(111)
inferred← citeshttps://doi.org/10.1021/acscatal.4c00864openalex-snapshot
Decoding the Kinetic Complexity of Pt-Catalyzed n-Butane Dehydrogenation by Machine Learning and Microkinetic Analysis
inferred← citeshttps://doi.org/10.1021/acscatal.4c04521openalex-snapshot
Expanding the Reaction Network of Ethylene Epoxidation on Partially Oxidized Silver Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.5b01152openalex-snapshot
Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts
inferred← citeshttps://doi.org/10.1021/acscatal.5b02602openalex-snapshot
Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions
inferred← citeshttps://doi.org/10.1021/acscatal.5c07743openalex-snapshot
A Multisite Microkinetic Framework for Describing Interfacial Kinetics in Dry Methane Reforming (DRM) over Ni-CeO 2 Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.5c07967openalex-snapshot
DFT-Based Multiscale Modeling of Heterogeneous (Electro)Catalytic Reactions
inferred← citeshttps://doi.org/10.1021/acscatal.8b00629openalex-snapshot
Kinetic Assessment of the Simultaneous Hydrodesulfurization of Dibenzothiophene and the Hydrogenation of Diverse Polyaromatic Structures
inferred← citeshttps://doi.org/10.1021/acscatal.9b01606openalex-snapshot
Principles of Dynamic Heterogeneous Catalysis: Surface Resonance and Turnover Frequency Response
inferred← citeshttps://doi.org/10.1021/acssuschemeng.9b04929openalex-snapshot
Barium-Promoted Ruthenium Catalysts on Yittria-Stabilized Zirconia Supports for Ammonia Synthesis
inferred← citeshttps://doi.org/10.1021/bk-2013-1132.ch005openalex-snapshot
Interactions of Sulfur Oxides with Diesel Oxidation Catalysts (DOCs)
inferred← citeshttps://doi.org/10.1021/ie030557yopenalex-snapshot
Microreactor Modeling for Hydrogen Production from Ammonia Decomposition on Ruthenium
inferred← citeshttps://doi.org/10.1021/ie070322copenalex-snapshot
A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum
inferred← citeshttps://doi.org/10.1021/ie100364aopenalex-snapshot
Microkinetic Modeling and Reduced Rate Expressions of Ethylene Hydrogenation and Ethane Hydrogenolysis on Platinum
inferred← citeshttps://doi.org/10.1021/ie1006504openalex-snapshot
Hierarchical Multiscale Modeling of Methane Steam Reforming Reactions
inferred← citeshttps://doi.org/10.1021/ie102103wopenalex-snapshot
Stochastic Nonlinear Optimization for Robust Design of Catalysts
inferred← citeshttps://doi.org/10.1021/ie400677bopenalex-snapshot
Momentary Equilibrium in Transient Kinetics and Its Application for Estimating the Concentration of Catalytic Sites
inferred← citeshttps://doi.org/10.1021/ie403160sopenalex-snapshot
Oxidative Coupling of Methane: A Microkinetic Model Accounting for Intraparticle Surface-Intermediates Concentration Profiles
inferred← citeshttps://doi.org/10.1021/ie800343sopenalex-snapshot
Multiscale Model and Informatics-Based Optimal Design of Experiments: Application to the Catalytic Decomposition of Ammonia on Ruthenium
inferred← citeshttps://doi.org/10.1021/ie900144xopenalex-snapshot
Assessment of Overall Rate Expressions and Multiscale, Microkinetic Model Uniqueness via Experimental Data Injection: Ammonia Decomposition on Ru/γ-Al2O3 for Hydrogen Production
inferred← citeshttps://doi.org/10.1021/jacsau.1c00276openalex-snapshot
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO 2 Hydrogenation on Ni(111)
inferred← citeshttps://doi.org/10.1021/jp048698gopenalex-snapshot
Microkinetic Modeling for Water-Promoted CO Oxidation, Water−Gas Shift, and Preferential Oxidation of CO on Pt
inferred← citeshttps://doi.org/10.1021/jp052479topenalex-snapshot
Hierarchical Multiscale Mechanism Development for Methane Partial Oxidation and Reforming and for Thermal Decomposition of Oxygenates on Rh
inferred← citeshttps://doi.org/10.1021/jp100192uopenalex-snapshot
Detailed Kinetic Modeling Study of NOx Oxidation and Storage and Their Interactions over Pt/Ba/Al2O3 Monolith Catalysts
inferred← citeshttps://doi.org/10.1021/jp501538vopenalex-snapshot
SOxOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling
inferred← citeshttps://doi.org/10.1023/b:catl.0000029523.22277.e1openalex-snapshot
The Role of Adsorbate–Adsorbate Interactions in the Rate Controlling Step and the Most Abundant Reaction Intermediate of NH3 Decomposition on Ru
inferred← citeshttps://doi.org/10.1039/9781839165962-00056openalex-snapshot
Microkinetic modeling for heterogeneous catalysis: methods and illustrative applications
inferred← citeshttps://doi.org/10.1039/9781849734776-00048openalex-snapshot
Catalytic reforming of logistic fuels at high-temperatures
inferred← citeshttps://doi.org/10.1039/9781849737203-00001openalex-snapshot
Gaining insight into the kinetics of partial oxidation of light hydrocarbons on Rh, through a multiscale methodology based on advanced experimental and modeling techniques
inferred← citeshttps://doi.org/10.1039/c5cp04671hopenalex-snapshot
Kinetic modeling of the adsorption and desorption of CO 2 on α-Fe 2 O 3
inferred← citeshttps://doi.org/10.1039/d1cp05378gopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d3dd00163fopenalex-snapshot
Automated MUltiscale simulation environment
inferred← citeshttps://doi.org/10.1039/d4cs00768aopenalex-snapshot
Unifying thermochemistry concepts in computational heterogeneous catalysis
inferred← citeshttps://doi.org/10.1039/d4cy01132eopenalex-snapshot
Mechanistic insights into the oxidative coupling of methane over a Li/MgO catalyst: an experimental and microkinetic modeling study
inferred← citeshttps://doi.org/10.1039/d4re00403eopenalex-snapshot
Intrinsic microkinetic effects of spray-drying and SiC co-support on Mn–Na 2 WO 4 /SiO 2 catalysts used in oxidative coupling of methane
inferred← citeshttps://doi.org/10.1039/d5cy00529aopenalex-snapshot
A kinetic model for Pd-based hydrogenation of acetylene-rich streams typical of post-plasma applications
inferred← citeshttps://doi.org/10.1063/1.2748755openalex-snapshot
Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes
inferred← citeshttps://doi.org/10.1063/1.4998926openalex-snapshot
Acceleration and sensitivity analysis of lattice kinetic Monte Carlo simulations using parallel processing and rate constant rescaling
inferred← citeshttps://doi.org/10.1080/01614940802019425openalex-snapshot
Kinetic Modeling of Large‐Scale Reaction Systems
inferred← citeshttps://doi.org/10.1080/08927020410001717245openalex-snapshot
Rational, Hierarchical Parameterization of Complex Zeolite-guest Molecular Models
inferred← citeshttps://doi.org/10.1080/13647830.2026.2625145openalex-snapshot
Thermodynamic consistency of surface reaction mechanisms and its consequences for steady-state solutions
inferred← citeshttps://doi.org/10.1088/0953-8984/27/1/013001openalex-snapshot
Kinetic modelling of heterogeneous catalytic systems
inferred← citeshttps://doi.org/10.1115/1.4069459openalex-snapshot
Effect of Exhaust Gas Recirculation on Combustion Efficiency in a Swirl Stabilized Flame With Blends of Natural Gas and Hydrogen
inferred← citeshttps://doi.org/10.1134/s0023158415060142openalex-snapshot
Mathematical modeling of self-oscillations in ethane oxidation over nickel
inferred← citeshttps://doi.org/10.1134/s0036024417010186openalex-snapshot
Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions
inferred← citeshttps://doi.org/10.1134/s1990793107040057openalex-snapshot
The UBI-QEP method: Mechanistic and kinetic studies of heterogeneous catalytic reactions
inferred← citeshttps://doi.org/10.1146/annurev-chembioeng-060817-084103openalex-snapshot
Microkinetic Analysis and Scaling Relations for Catalyst Design
inferred← citeshttps://doi.org/10.1515/revce-2017-0059openalex-snapshot
Advances in fixed-bed reactor modeling using particle-resolved computational fluid dynamics (CFD)
inferred← citeshttps://doi.org/10.17760/d20416792openalex-snapshot
Application of reaction mechanism generator (RMG) for modeling heterogeneous ammonia oxidation
inferred← citeshttps://doi.org/10.2516/ogst/2009075openalex-snapshot
Extension of the Single-Event Methodology to Metal Catalysis: Application to Fischer-Tropsch Synthesis
inferred← citeshttps://doi.org/10.2516/ogst/2013123openalex-snapshot
Sulfur Deactivation of NOxStorage Catalysts: A Multiscale Modeling Approach
inferred← citeshttps://doi.org/10.3389/fchem.2019.00202openalex-snapshot
A Practical Guide to Surface Kinetic Monte Carlo Simulations
inferred← citeshttps://doi.org/10.3390/catal8120626openalex-snapshot
Kinetic Modeling of Catalytic Olefin Cracking and Methanol-to-Olefins (MTO) over Zeolites: A Review
inferred← citeshttps://doi.org/10.3390/ijms25052528openalex-snapshot
Thiophene Stability in Photodynamic Therapy: A Mathematical Model Approach
inferred← citeshttps://doi.org/10.3929/ethz-a-005478370openalex-snapshot
Experimental and numerical investigation of the catalytic partial oxidation of methane to synthesis gas for power generation applications
inferred← citeshttps://doi.org/10.3929/ethz-a-007593810openalex-snapshot
Model-Based Control of Catalytic Converters
inferred← citeshttps://doi.org/10.5772/39209openalex-snapshot
Rational Asymmetric Catalyst Design, Intensification and Modeling
inferred← citeshttps://doi.org/10.58088/rz7e-ck77openalex-snapshot
Error reduction, uncertainty quantification, and sensitivity analysis methods for microkinetic modeling: application and insights into the catalytic conversion of ethanol on late transition metals
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