Department of Chemical engineering and technical chemistry (ceased 1-2-2017)
1571 publications
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Development of an integrated informatics toolbox: HT kinetic and virtual screening
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DC magnetron sputter deposited vanadia catalysts for oxidation processes
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New supported vanadia catalysts for oxidation reactions prepared by sputter deposition
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The rise and fall of direct mechanisms in methanol-to-olefin catalysis: An overview of theoretical contributions
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Photocatalytic activity of dc magnetron sputter deposited amorphous TiO2 thin films
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Effect of microstructure and crystallinity on the photocatalytic activity of TiO2 thin films deposited by dc magnetron sputtering
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Simulation of pilot- and industrial-scale vinyl chloride batch suspension polymerization reactors
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Multiscale modeling of turbulent combustion and NOx emission in steam crackers
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Theoretical study of the thermodynamics and kinetics of hydrogen abstractions from hydrocarbons
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Impact of radiation models in CFD simulations of steam cracking furnaces
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Zeolite shape-selectivity in the gem-methylation of aromatic hydrocarbons
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Ab initio thermochemistry and kinetics for carbon-centered radical addition and beta-scission reactions
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Noise in temporal analysis of products (TAP) pulse responses
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Quantifying the relative importance of the elementary steps involved in the cracking of (cyclo)alkanes via a microkinetic analysis
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Experimental investigation of a rotating fluidized bed in a static geometry
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Microkinetic analysis of methane oxidative coupling
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- Conference Paper
- C3
- open access
Microkinetic analysis of Fischer-Tropsch synthesis on Fe and Co catalysts
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Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks
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- PhD Thesis
- open access
Unraveling the Reaction Mechanism of Industrial Processes in Zeolite Catalysis: a Quantum Chemical Approach
(2007) -
Temporal analysis of products (TAP) study on low temperature carbon monoxide oxidation on supported Au catalysts