Leif C. Kröger

TL;DR: Simulations of the inception stage of methane oxidation are used to demonstrate the agreement of pathways and rates with available literature data that reveals the potential of reactive molecular dynamics studies for developing quantitative reaction models.

TL;DR: In this paper, a detailed chemical reaction model was developed for a comprehensive description of both high and low-temperature oxidation processes of DMM, where the rate coefficients were based on analogies with those for dimethyl ether, diethyl ether and n-pentane oxidation.

TL;DR: The effect of rate constants on the microgel growth process is analyzed, and it is shown that differences in the magnitude of the reaction rate constants are a source of an inhomogeneous cross-linker distribution within the resulting microgel.

TL;DR: This study highlights similarities between computer experiments and laboratory experiments, which are both subject not only to statistical error but also to systematic error.

TL;DR: In this paper, the authors presented a work as part of the Cluster of Excellence for Tailor-Made Fuels from Biomass (EXC 236), which was funded by the Excellence Initiative by the German federal and state governments to promote science and research at German universities.