Keywords: مدل میکروکینتیک; Methane steam reforming; Microkinetic model; Kinetic isotope effect; Nickel; Rhodium;
مقالات ISI مدل میکروکینتیک (ترجمه نشده)
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Keywords: مدل میکروکینتیک; Methanol; Formaldehyde; Heterogeneous catalysis; Density functional theory; Scaling relations; Microkinetic model;
Influence of the concentration of borohydride towards hydrogen production and escape for borohydride oxidation reaction on Pt and Au electrodes - experimental and modelling insights
Keywords: مدل میکروکینتیک; Direct borohydride fuel cells (DBFC); Borohydride oxidation reaction (BOR); Hydrogen generation and escape; Platinum; Gold; Microkinetic model;
Rhenium-promoted selective CO2 methanation on Ni-based catalyst
Keywords: مدل میکروکینتیک; Ni-Re; Bimetallic catalyst; CO2; Methanation; Density functional theory; Microkinetic model;
Catalytic hydrogenation and hydrodeoxygenation of lignin-derived model compound eugenol over Ru/C: Intrinsic microkinetics and transport phenomena
Keywords: مدل میکروکینتیک; Lignin valorization; Catalytic hydrotreatment; HDO vs hydrogenation; Microkinetic model; Biorefinery; Adsorption and desorption;
Influence of the tensile strain on CH4 dissociation on Cu(1Â 0Â 0) surface: A theoretical study
Keywords: مدل میکروکینتیک; Tensile strain; CH4 activation; Catalytic activity; DFT-D2; Microkinetic model;
A first-principles study on the effect of phosphorus-doped palladium catalyst for formic acid dissociation
Keywords: مدل میکروکینتیک; HCOOH activation; DFT-D2; Catalytic activity; CHE model; Microkinetic model;
Microkinetic model for the dry reforming of methane on Rh doped pyrochlore catalysts
Keywords: مدل میکروکینتیک; Dry reforming; Methane; Syngas; Pyrochlore; Microkinetic model; DFT; Reaction mechanism
Kinetic Monte Carlo simulations of the water gas shift reaction on Cu(1 1 1) from density functional theory based calculations
Keywords: مدل میکروکینتیک; Kinetic Monte Carlo; Water gas shift reaction; Density functional theory; Mechanisms; Redox; Associative; Carboxyl; Copper(1 1 1) surface; Microkinetic model; Simulations
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
Keywords: مدل میکروکینتیک; DFT; Dispersion energy; Zeolites; Brønsted acid sites; Reaction mechanism; Microkinetic model
Theoretical insights on the influence of doped Ni in the early stage of graphene growth during the CH4 dissociation on Ni–Cu(1 1 1) surface
Keywords: مدل میکروکینتیک; CH4 dissociation; Catalytic activity; DFT-D2; Microkinetic model; Reaction mechanism; Ni doping
Theoretical investigation of the decarboxylation and decarbonylation mechanism of propanoic acid over a Ru(0 0 0 1) model surface
Keywords: مدل میکروکینتیک; Ruthenium; Density functional theory; Microkinetic model; Deoxygenation; Hydrodeoxygenation; Organic acid
DFT-driven multi-site microkinetic modeling of ethanol conversion to ethylene and diethyl ether on γ-Al2O3(1 1 1)
Keywords: مدل میکروکینتیک; RTZKZFJDLAIYFH-UHFFFAOYSA-N; LFQSCWFLJHTTHZ-UHFFFAOYSA-N; VGGSQFUCUMXWEO-UHFFFAOYSA-N; XLYOFNOQVPJJNP-UHFFFAOYSA-N; γ-Al2O3; Ethanol; Dehydration; Etherification; Ethylene; Diethyl ether; Microkinetic model; Lewis acid; DFT;
NO dissociation and reduction by H2 on Pd(1 1 1): A first-principles study
Keywords: مدل میکروکینتیک; First-principles calculations; Pd(1 1 1); NO reduction mechanism; H2-SCR; (NO)2 dimer; Microkinetic model
DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
Keywords: مدل میکروکینتیک; Degree of coverage; Platinum; Benzene; Aromatics; Horiuti-Polanyi; Ab initio; First principles; Density functional theory; Microkinetic model; Transition state theory;
Kinetics of CO oxidation on palladium using microkinetics coupled with reaction route analysis
Keywords: مدل میکروکینتیک; LHHW; Langmuir Hinselwood Hougen Watson; RDS; rate determining step; UHV; ultra high vacuum; WGS; water gas shift; RR; reaction route; DFT; density functional theory; UBIQEP; Unity Bond Index Quadratic Exponential Potential; TPD; temperature programmed de
Correlation between catalytic activity and catalytic surface area of a Pt/Al2O3 DOC: An experimental and microkinetic modeling study
Keywords: مدل میکروکینتیک; DOC aging; Pt dispersion; CO oxidation; Structure sensitivity; Microkinetic model;
Adsorbate interactions on surface lead to a flattened Sabatier volcano plot in reduction of oxygen
Keywords: مدل میکروکینتیک; Surface Catalysis; Sabatier principle; Volcano Plot; Oxygen Reduction; Adsorbate interactions; Microkinetic model; First-principles calculations; Sensitivity;
Microkinetic modeling and analysis of ethanol partial oxidation and reforming reaction pathways on platinum at short contact times
Keywords: مدل میکروکینتیک; Ethanol; Oxygenates; Partial oxidation; Reforming; Platinum; Microkinetic model
Optimal design of a CH4 CPO-reformer with honeycomb catalyst: Combined effect of catalyst load and channel size on the surface temperature profile
Keywords: مدل میکروکینتیک; Catalytic partial oxidation; Methane; Rhodium; Optimal design; Hot-spot temperature; Microkinetic model; Spatially resolved measurements; Transport phenomena
Catalyst design based on microkinetic models: Oxidative coupling of methane
Keywords: مدل میکروکینتیک; Methane oxidative coupling; Microkinetic model; Catalyst descriptor; Catalyst design; Simulation
Modeling the simultaneous oxidation of CO and H2 on Pt – Promoting effect of H2 on the CO-light-off
Keywords: مدل میکروکینتیک; CO oxidation; H2 oxidation; Promotion; Pt; Microkinetic model; Light-off; Carboxyl-path
Microkinetic analysis of CH4 CPO tests with CO2-diluted feed streams
Keywords: مدل میکروکینتیک; Catalytic partial oxidation; Methane; Rh; CO2; Microkinetic model; Reverse-WGS
Modeling the effects of Pt loading on NOx storage on Pt/BaO/Al2O3 catalysts
Keywords: مدل میکروکینتیک; NOx; NOx storage; Diesel emissions; Platinum; Barium; Microkinetic model; Kinetics
Steady-state kinetics and mechanism of methane reforming with steam and carbon dioxide over Ni catalyst
Keywords: مدل میکروکینتیک; Ni catalyst; Microkinetic model; Pore diffusions resistance
Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams
Keywords: مدل میکروکینتیک; Catalytic partial oxidation; Methane; Rhodium; Microkinetic model; Spatial profiles; Transport phenomena
Microkinetic modeling for hydrocarbon (HC)-based selective catalytic reduction (SCR) of NOx on a silver-based catalyst
Keywords: مدل میکروکینتیک; NOx; SCR; Microkinetic model; Ethanol; Hydrocarbon; Silver
Effectiveness of in situ NH3 annealing treatments for the removal of oxygen from GaN surfaces
Keywords: مدل میکروکینتیک; Density functional calculations; Microkinetic model; X-ray photoelectron spectroscopy; Surface chemical reaction; Gallium nitride; Oxygen contamination;
Steam and dry reforming of methane on Rh: Microkinetic analysis and hierarchy of kinetic models
Keywords: مدل میکروکینتیک; Methane; Reforming; Water–gas shift reaction; Microkinetic model; Rhodium
CO oxidation and NO reduction over supported Pt-Rh and Pd-Rh nanocatalysts: a comparative study
Keywords: مدل میکروکینتیک; Nanocatalysts; Monte-Carlo (MC) simulation; Microkinetic model; Three-way catalysts;
Microkinetic modelling of the dehydrogenation of ethylbenzene to styrene over unpromoted iron oxides
Keywords: مدل میکروکینتیک; Microkinetic model; Dehydrogenation; Ethylbenzene; Styrene; Iron oxide; Deactivation; Coking; Solid phase transformation;
Trends in low-temperature water-gas shift reactivity on transition metals
Keywords: مدل میکروکینتیک; Water-gas shift; Microkinetic model; Transition metals; Activity; Turnover frequency;