A C1microkinetic model for methane conversion to syngas on Rh/Al2O3

A Kinetic Investigation of the Catalytic Partial Oxidation of Propylene over a Rh/Al2O3 Catalyst

A fundamental investigation of gas/solid mass transfer in open-cell foams using a combined experimental and CFD approach

A kinetic analysis of the partial oxidation of C3H8 over a 2% Rh/Al2O3 catalyst in annular microreactor

A multiregion operator-splitting CFD approach for coupling microkinetic modeling with internal porous transport in heterogeneous catalytic reactors

A systematic procedure for the virtual reconstruction of open-cell foams

article published in 2017

A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces

scientific article published on 20 December 2018

Catalytic partial oxidation of CH4 and C3H8: experimental and modeling study of the dynamic and steady state behavior of a pilot-scale reformer

Comparison among structured and packed-bed reactors for the catalytic partial oxidation of CH4 at short contact times

Coupling CFD-DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems.

scientific article published in June 2018

Design and testing of an operando-Raman annular reactor for kinetic studies in heterogeneous catalysis

Development and Assessment of a Criterion for the Application of Brønsted-Evans-Polanyi Relations for Dissociation Catalytic Reactions at Surfaces

scientific article published on 04 June 2019

Dominant Reaction Pathways in the Catalytic Partial Oxidation of CH4 on Rh

Escaping the trap of complication and complexity in multiscale microkinetic modelling of heterogeneous catalytic processes

scientific article

First-Principles Simulation of Raman Spectra of Adsorbates on Metal Surfaces

scientific article published on 01 June 2017

First-principles theoretical assessment of catalysis by confinement: NO-O2 reactions within voids of molecular dimensions in siliceous crystalline frameworks.

scientific article published in June 2018

Gaining insight into the kinetics of partial oxidation of light hydrocarbons on Rh, through a multiscale methodology based on advanced experimental and modeling techniques

Hierarchical Refinement of Microkinetic Models: Assessment of the Role of the WGS and r-WGS Pathways in CH4 Partial Oxidation on Rh

Investigation of pressure drop in 3D replicated open-cell foams: Coupling CFD with experimental data on additively manufactured foams

Microkinetic analysis of CH4 CPO tests with CO2-diluted feed streams

Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams

Optimal design of a CH4 CPO-reformer with honeycomb catalyst: Combined effect of catalyst load and channel size on the surface temperature profile

Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling

scientific article published on 01 June 2018

Role of gas-phase chemistry in the rich combustion of H2 and CO over a Rh/Al2O3 catalyst in annular reactor

Semiempirical rate constants for complex chemical kinetics: first-principles assessment and rational refinement.

scientific article published on 22 December 2010

Steady-state and transient analysis of a CH4-catalytic partial oxidation reformer

Synergy of Homogeneous and Heterogeneous Chemistry Probed by In Situ Spatially Resolved Measurements of Temperature and Composition

article

Two-dimensional detailed modeling of fuel-rich H 2 combustion over Rh / Al 2 O 3 catalyst