Department of Chemical engineering and technical chemistry (ceased 1-2-2017)
1571 publications
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First principle study of chain termination reactions during Fischer-Tropsch Synthesis on χ-Fe5C2(010)
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Ultrafast and stable CO2 capture using Alkali metal salt-promoted MgO–CaCO3 sorbents
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Uptake of arsenate by aluminum (hydr)oxide coated red scoria and pumice
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- PhD Thesis
- open access
Cobalt catalyzed Fischer-Tropsch synthesis kinetics via steady state isotopic transient kinetic analysis and multi-scale modeling
(2017) -
Structural and catalytic properties of Au/MgO-type catalysts prepared in aqueous or methanol phase : application in the CO oxidation reaction
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- PhD Thesis
- open access
Atomic layer deposition of metals and metal oxides : towards the synthesis of bimetallic materials
(2017) -
- PhD Thesis
- open access
Rational design of mesoporous adsorbents for the removal of organic pollutants from water
(2017) -
A core-shell structured Fe2O3/ZrO2@ZrO2 nanomaterial with enhanced redox activity and stability for CO2 conversion
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A comprehensive kinetic model for Cu catalyzed liquid phase glycerol hydrogenolysis
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Improving the efficiency of the Diels-Alder process by using flow chemistry and zeolite catalysis
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Experimental and modeling study of the pyrolysis and combustion of 2-methyl-tetrahydrofuran
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Ethylene hydrogenation over Pt/TiO2 : a charge-sensitive reaction
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Understanding and optimization of chemical reactor performance for bimodal reaction sequences
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An update on the pivotal role of kinetic modeling for the mechanistic understanding and design of bulk and solution RAFT polymerization
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Soft templated mesoporous carbons : tuning the porosity for the adsorption of large organic pollutants
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The chemical route to a carbon dioxide neutral world
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Optimization of spray dried attrition-resistant iron based oxygen carriers for chemical looping reforming
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- Journal Article
- A1
- open access
Tuning component enrichment in amino acid functionalized (organo)silicas
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- Journal Article
- A1
- open access
Tuning the acidic-basic properties by Zn-substitution in Mg-Al hydrotalcites as optimal catalysts for the aldol condensation reaction
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- Journal Article
- A1
- open access
Facile synthesis of cooperative acid-base catalysts by clicking cysteine and cysteamine on an ethylene-bridged periodic mesoporous organosilica
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Processing and Characterisation of Oxygen Carriers for Chemical Looping Combustion
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Role of Surface Hydroxyl Groups as hydrogenating species during Fischer-Tropsch Synthesis
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Processing and Characterisation of Fe-based oxygen carriers for chemical looping processes
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Shaping hydrotalcite-like materials into microspheres and their use for sorption applications
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Gas phase anisole hydrodeoxygenation over supported Mo oxide and carbide catalysts as an alternative to mo sulfides
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PdZn active metal impregnation vs. incorporation for ethanol dehydrogenation
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Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
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Continuous flow investigation of 'green' aldol condensations
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A Multi-Scale Modelling Platform applied towards Fischer Tropsch Synthesis on Fe catalysts
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Enhanced catalytic performance of Ni-Fe alloy in methane dry reforming: role of Fe
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Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading
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Fast pyrolysis oil hydrodeoxygenation
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- PhD Thesis
- open access
Advanced microkinetics of reversible addition-fragmentation chain transfer polymerization
(2016) -
The power of reverse phase comprehensive 2D GC for oxygentate analysis in shale oils (Invited Lecture)
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Quantitative analysis of nitrogen containing compounds in micro-algae based bio-oil using GC × GC – NCD/TOF-MS
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- Conference Paper
- C3
- open access
Catalyst structure and C-O activation during FTS : new ideas from computational catalysis
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Chemical and enzymatic modification of sophorolipids
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Hydrogen and carbon monoxide production by chemical looping over iron-aluminium oxides
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The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2
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Evaluation of the transfection efficacies of quaternary ammonium salts prepared from sophorolipids
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Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Sustainable attrition-resistant oxygen carriers for chemical looping reforming by spray drying
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- PhD Thesis
- open access
Innovative sophorolipid analogues with tailor-made physico-chemical and biological properties
(2016) -
- Conference Paper
- C3
- open access
Sophorolipid derivatives : chemical derivatization towards green surfactants for medicinal applications
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- Conference Paper
- C3
- open access
Design of a gas-solid vortex reactor demonstration unit for the fast pyrolysis of lignocellulosic biomass
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- Journal Article
- A1
- open access
Processing of polysulfone to free flowing powder by Mechanical Milling and spray drying techniques for use in selective laser sintering
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A light activated reaction manifold
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The strength of multi-scale modeling to unveil the complexity of radical polymerization
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A novel method for the measurement of accurate degenerative chain transfer coefficients: proof of concept and experimental validation
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Chain transfer in degenerative RAFT polymerization revisited: a comparative study of literature models
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A single-event microKinetic model for the cobalt catalyzed fischer-tropsch synthesis
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
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Understanding the reactivity of unsaturated alcohols: experimental and kinetic modeling study of the pyrolysis and oxidation of 3-methyl-2-butenol and 3-methyl-3-butenol
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Modeling of monomer sequences along copolymer chains
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Advanced data analysis and modelling in chemical engineering
(2016) -
One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation
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Rate-reactivity model: a new theoretical basis for systematic kinetic characterization of heterogeneous catalysts
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On-line analysis of nitrogen containing compounds in complex hydrocarbon matrixes
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Deactivation study of Fe2O3−CeO2 during redox cycles for CO production from CO2
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Volume-of-fluid simulations of bubble dynamics in a vertical Hele-Shaw cell
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Key role of surface hydroxyl groups in C−O activation during fischer−tropsch synthesis
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Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Computational fluid dynamic design of jet stirred reactors for measuring intrinsic kinetics of gas-phase and gas-solid reactions
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Carbon gasification from Fe-Ni catalysts for methane dry reforming
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Pyridine hydrodenitrogenation kinetics over a sulphided NiMo/γ-Al2O3 catalyst
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The role of hydrogen during Pt-Ga nanocatalyst formation
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Kinetic assessment of dry reforming of methane on Pt + Ni containingcomposite of fluorite-like structure
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New insights in the treatment of waste water with graphene: dual-site adsorption by sodium dodecylbenzenesulfonate
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Quantitative analysis of nitrogen containing compounds in microalgae based bio-oils using comprehensive two-dimensional gas-chromatography coupled to nitrogen chemiluminescence detector and time of flight mass spectrometer
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Kinetic study of the thermal and catalytic cracking of waste motor oil to diesel-like fuels
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Multiscale aspects in hydrocracking : from reaction mechanism over catalysts to kinetics and industrial application
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Quantitative first-principles kinetic modeling of the aza-Michael addition to acrylates in polar aprotic solvents
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Model-based design to push the boundaries of sequence control
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1D model for coupled simulation of steam cracker convection section with improved evaporation model
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Oxidative coupling of methane : opportunities for microkinetic model-assisted process implementations
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Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor
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Diels–Alder attachment of a planar organic molecule to a dangling bond dimer on a hydrogenated semiconductor surface
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Single-molecule rotational switch on a dangling bond dimer bearing
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Ni-Cu hydrotalcite-derived mixed oxides as highly selective and stable catalysts for the synthesis of beta-branched bioalcohols by the Guerbet reaction
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Computational Investigation of the Aminolysis of RAFT Macromolecules
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An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization
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Kinetics of multi-step redox processes by time-resolved In situ X-ray diffraction
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Super-dry reforming of methane intensifies CO2 utilization via Le Chatelier's principle
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Atomic layer deposition route to tailor nanoalloys of noble and non-noble metals
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- PhD Thesis
- open access
Bioethanol conversion to hydrocarbons : from laboratory to industrial scale
(2016) -
- PhD Thesis
- open access
Bio-butanol dehydration and butene isomerization in zeolites : ab initio and microkinetic modelling
(2016) -
In situ performance of various metal doped catalysts in micro-pyrolysis and continuous fast pyrolysis
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Mechanistic Study of of Zeolite Catalyzed Dehydration of Bio-alcohols: Density Functional Theory and Microkinetic Analysis
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From microkinetic understanding to industrial reactor simulation for Fischer-Tropsch synthesis
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First principles based kinetic model for biomass fast pyrolysis: cyclic model compounds
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Experimental study on the initial thermal decomposition of resorcinol
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Multi-objective optimization of feeding rates and temperature program for nitroxide mediated (co)polymerization of styrene and n-butyl acrylate
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Insights into the activity of supported Mo oxide and their carbide analogues in catalytic conversion of biomass derived oxygenates
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Design and construction of an experimental setup for measuring intrinsic kinetics of biomass fast pyrolysis
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Single event microkinetic modeling of lignin fast pyrolysis: a study on anisole as model compound
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First principles based kinetic modeling of biomass fast pyrolysis
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- Conference Paper
- C3
- open access
A gas-solid vortex reactor for the fast pyrolysis of biomass
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Spontaneous formation of cobalt nano-islands and kinetic role of hydroxyl species during Fischer-Tropsch synthesis
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Microkinetic model validation for the Fischer - tropsch synthesis based on transient experiments
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A Unified Aromatic Hydrogenation Kinetic Model Accounting for Ring Substituents
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Large Eddy Simulation of Enhanced 3D Pyrolysis Reactors
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Understanding and Optimization of Chemical Reactor Performance for Bimodal Reaction Sequences
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Detailed kinetic analysis of reversible deactivation radical polymerization
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First-Principles Kinetic Model for 2-Methyl-Tetrahydrofuran Pyrolysis and Combustion (Plenary Lecture)
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Evaluation of variable selection approaches for pixel-based analysis of GC×GC data
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Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
(2016) -
Synergy and antagonism in bifunctional heterogeneously catalyzed ethene oligomerization
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Processing and characterization of Fe-based oxygen carriers for chemical looping
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A single-event microKinetic model for ethylene hydroformylation to propanal on Rh and Co based catalysts
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- PhD Thesis
- open access
A single-event microkinetic model for ethylene hydroformylation on Rh and Co
(2016) -
Characterization and comparison of fast pyrolysis bio-oils from pinewood, rapeseed cake, and wheat straw using 13C NMR and comprehensive GC × GC
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Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
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Electronic characterization of a single dangling bond on n-and p-type Si(001)-(2×1): H
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Energy penalty estimates for CO2 capture: comparison between fuel types and capture-combustion modes
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Three-component solids velocity measurements in the outlet section of a riser
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Challenges and opportunities for molecule-based management of chemical processes
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Flexible MgO barrier magnetic tunnel junctions
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Implementation of stereochemistry in automatic kinetic model generation
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Early stages in the formation and burning of graphene on a Pt/Mg(Al)Ox dehydrogenation catalyst: a temperature- and time-resolved study
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Conversion of solid waste to diesel via catalytic pressureless depolymerization: pilot scale production and detailed compositional characterization
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Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5
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- Conference Paper
- C3
- open access
Prediction of turbulent reactive flows by means of numerical simulations applied to anaerobic digesters
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Shape and size of cobalt nano-islands formed spontaneously on cobalt terraces during Fischer-Tropsch synthesis
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- PhD Thesis
- open access
Production of green base chemicals through conventional and emerging pyrolysis processes
(2016) -
Tailor-made mesoporous carbons for the removal of large organic pollutants from water
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Pyrolysis kinetics of fossil and renewable fuels
(2016) -
Stabilization of metal nanoparticles by ion exchange resins and their applications
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CO2 conversion to CO by auto-thermal catalyst-assisted chemical looping
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An experimental and kinetic modeling study of γ-valerolactone pyrolysis
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Potential of genetically engineered hybrid poplar for pyrolytic production of bio-based phenolic compounds
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Functionalized metal-organic-framework CMPO@MIL-101(Cr) as a stable and selective rare earth adsorbent
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- Conference Paper
- C3
- open access
Chemical modification of sophorolipids towards a platform of new derivatives
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Sophorolipid amine oxide production by a combination of fermentation scale-up and chemical modification
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- PhD Thesis
- open access
Hydrodenitrogenation kinetics according to single-event methodology
(2016) -
The impact of processing parameters on the production of monofilaments for artificial turf applications
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Steam cracking of biomass-derived normal and branched alkanes
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Low temperature atomic layer deposition of crystalline In2O3 films
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Optimization of soft templated mesoporous carbon synthesis using Definitive Screening Design
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- Conference Paper
- C3
- open access
Synthesis of porous boron nitride as an adsorbent for bisphenol A
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- Journal Article
- A1
- open access
Tuning the pore geometry of ordered mesoporous carbons for enhanced adsorption of bisphenol-A
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Efficient continuous-flow benzotriazole activation and coupling of amino acids
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- Conference Paper
- C3
- open access
Au/MgO-type catalysts for the cabonylation of glycerol with urea. Effect of the morphology and meso-macroporous structure of the support
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- Conference Paper
- C3
- open access
The effect of dealumination with HCl on MFI and FER type zeolites on the dehydration of n-butanol
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A new class of antimicrobial biosurfactants: quaternary ammonium sophorolipids
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Model-based visualization and understanding of monomer sequence formation in the synthesis of gradient copoly(2-oxazoline)s on the basis of 2-methyl-2-oxazoline and 2-phenyl-2-oxazoline
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First principles‐based design of 3D pyrolysis reactors
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Bridging the gap between kinetics in gas phase and non-ideal liquids exhibiting pronounced polarity effects
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Assessment of the dominant factors in Cu catalyst deactivation in glycerol hydrogenolysis
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Green’ Propylene glycol: kinetic determination for the valorization of biodiesel side stream
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Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering
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Improved livingness and control over branching in RAFT polymerization of acrylates: could microflow synthesis make the difference?
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DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
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Observation of the mechanism determining the current in Cu(In,Ga)Se2 thin film solar cells via regression analysis of static current voltage measurements
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Radial pressure profiles in a cold-flow gas-solid vortex reactor
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Computational study of the aminolysis of thiolactones
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Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio
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Monomer sequences of individual copoly(2-oxazoline) chains based on 2-Methyl-2-oxazoline and 2-Phenyl-2-Oxazoline: visualization and model-based design
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Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
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Kinetic study of the Aminolysis of Thiolactones
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Combined chemical looping for CO2 conversion
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Ethanol to hydrocarbons over ZSM-5 catalyst: evidenced mechanism from real time transient reaction studies
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Fast pyrolysis oil hydrodeoxygenation kinetics using lignin-derived model compounds
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Nature of the deactivation during redox cycles of Fe2O3-CeO2
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Improved mechanistic insights into radical sulfinyl precursor MDMO-PPV synthesis by combining microflow technology and computer simulations
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Kinetic Monte Carlo optimization of reactant feed control toward tailored gradient copolymers
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Nature of poly(2-oxazoline) gradient copolymers
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Improved simulation of miniemulsion NMP of acrylates: relevance of partitioning and short chain branch formation
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CO adsorption on cobalt: prediction of stable surface phases
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- Journal Article
- A1
- open access
Information-driven catalyst design based on high-throughput intrinsic kinetics
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Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading
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Characterisation studies of waste bio-deroved feedstock
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Mg-Fe-Al-O as novel oxygen storage material for CO2 utilization
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Microkinetics for toluene total oxidation over CuO–CeO2/Al2O3
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CFD-based design of 3D pyrolysis reactors: RANS vs. LES
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- Conference Paper
- C3
- open access
CO2 capture and conversion by combined chemical looping
(2015) p.128-128 -
Guidelines for selecting gas-solid vortex reactor operating conditions based on hydrodynamic characteristics
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Ethanol conversion to hydrocarbons on HZSM-5: reaction Mechanism Elucidation Via Steady State and Transient Experiments
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Enhanced carbon-resistant dry reforming Fe-Ni catalyst: role of Fe
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Microkinetic model development for oxidative coupling of methane (Keynote Speaker)
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DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
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Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5
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Necessity and feasibility of 3D simulations of steam cracking reactors
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Tuning the physisorption properties of amino acid functionalized (Organo)silicas
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A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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Computational fluid dynamics based design of steam cracking reactors
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Innovative sophorolipid analogues with tailor-made physico-chemical properties
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Design a novel material for catalyst-assisted chemical looping process
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A combined experimental and modeling study of the nitroxide mediated polymerization of styrene initiated by BlocBuilderTM
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A comparison of acrylate kinetics in batch and microreactors under RAFT solution polymerization conditions
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Nitroxide mediated polymerization of styrene: from Arrhenius parameters to NMP kinetics and explicit visualization of microstructure
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Ethanol dehydrogenation on PdZn/Mg(Al)Ox: the effect of incorporation and impregnation on the catalyst behavior
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A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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A comparative study of RAFT polymerization of n-butyl acrylate under microflow and batch conditions
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Predicting kinetic dependences and closing the balance: Wei and Prater revisited
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When the final catalyst activity profile depends only on the total amount of admitted substance: theoretical proof
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A theoretical study of standard heat of formation of systems involving in the zinc reduction of silicon tetrachloride
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Selective etherification of beta-citronellene catalyzed by zeolite beta
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Si(100)-2 × 1-H dimer rows contrast inversion in low-temperature scanning tunneling microscope images
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Origin of the formation of Nanoislands on cobalt catalysts during Fischer−Tropsch synthesis
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Kinetic study of the pyrolysis and oxidation of unsaturated alcohols
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- Conference Paper
- C1
- open access
Liquid kinetic study of the catalytic cracking of waste motor oil for obtaining diesel like fuels
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- Conference Paper
- C1
- open access
A systematic study of radical addition reactions to substituted benzenes reverse beta-scission reactions
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Recent advances (and continuing challenges) in combustion chemistry
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Assessment of catalytic performance for oxidative coupling of methane via comprehensive microkinetic modelling
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Novel heuristics for mediating radical chain reactions: a stochastic simulation of the synthesis of copolymers with tailored monomer sequences
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The nature of vortex breakdown
(2015) p.86-87 -
Towards automated mechanism generation of lignin pyrolysis models: development of Group Additivity parameters for aromatic species
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Abstraction from weak C-H Bond of ortho/paramethylcyclohexadienone isomers critical in improving product distribution in anisole pyrolysis
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Impact of H2 addition on formation of PAH during anisole pyrolysis
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Commensurability versus hierarchy in Chemical Kinetics
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A novel 4-dimensional modeling strategy for optimization of NMP mini- and microemulsion
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Uncovering the formation of Pt-Ga catalysts by wavelet transformed in situ XAS
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Accessibility of Pt sites on fresh, coked, and regenerated Pt-Ga catalysts for alkane dehydrogenation: DRIFTS characterization of adsorbed CO
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Wavelet-based XAS as a tool to disclose mechanistic insight into Pt-In catalyst formation
(2015) -
Chemical reaction engineering for catalytic process design
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Furnace firing control: the key to extending your runlength
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Nature of deactivation for Fe2O3-CeO2 materials in CO2 utilization processes
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- PhD Thesis
- open access
A density functional theory study of alumina atomic layer deposition on alumina and silica
(2015) -
Unraveling the role of sulfur components on coke formation during steam cracking: kinetic modeling and validation
(2015) -
Modellering en simulering van een industriële reactor voor de productie van biodiesel
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Fischer-Tropsch Synthesis SSITKA simulation: balancing between model complexity, computational effort and relevance of the included features
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A single-event microkinetic model for the cobalt catalyzed Fischer-Tropsch synthesis
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Fast pyrolysis of lignocellulosic biomass: design and construction of a micro-pyrolysis setup for intrinsic kinetic measurements
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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Understanding the decomposition of sulfur compounds during steam cracking
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- Conference Paper
- C3
- open access
An experimental and theoretical study of cyclopentadiene-ethene co-pyrolysis: growth of polycyclic aromatic hydrocarbons
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Improving laboratory reactors: computational fluid dynamics and detailed chemical kinetics
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How to apply the method of moments for polymerization reactions to Fischer Tropsch Synthesis (FTS)?
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Experimental study of catalytic coating for reduced coke formation
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The strength of model-based design for nitroxide mediated polymerization
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A new group additive kinetic model for pyrolysis of C2-C4 hydrocarbons
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Numerical simulations of steam cracking test furnace using detailed combustion mechanism for CO and NOx emission
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Rate-reactivity model (RRM): a new basis for non-steady-state kinetic characterization of heterogeneous catalysts
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- Conference Paper
- C1
- open access
Implementation of stereochemistry in automatic kinetic model generation
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Ab initio investigation of surface chemistry of alumina ALD on hydroxylated γ-alumina surface
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Local environment of Fe dopants in nanoscale Fe: CeO2-x oxygen storage material
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Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: ab initio and microkinetic modeling
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MAMA-SG1 initiated nitroxide mediated polymerization of styrene: from Arrhenius parameters to model-based design
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- Conference Paper
- C3
- open access
Synthesis of glycerol carbonate from glycerol and urea by using gold-supported catalysis
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- Conference Paper
- P1
- open access
A MEMS-based solid propellant microthruster array for space and military applications
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Advanced elemental characterization during Pt-In catalyst formation by wavelet transformed X-ray absorption spectroscopy
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The long and the short of radical polymerization
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CFD-based design of 3D pyrolysis reactors
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- Conference Paper
- C3
- open access
Amino acid functionalized periodic mesoporous organosilicas as bifunctional catalysts
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Catalyst-assisted chemical looping for CO2 conversion to CO
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Molecular mechanism of flocculation self-recognition in yeast and its role in mating and survival
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- PhD Thesis
- open access
Sustainable conversion of biomass oxygenates : ab initio based model simulation
(2015) -
- PhD Thesis
- open access
First principles based design of bimetallic catalysts for benzene hydrogenation
(2015) -
- PhD Thesis
- open access
Alternative design of Pt-based catalysts : an X-ray spectroscopic view
(2015)