Microkinetics simulations are presented based on DFT-determined elementary reaction steps of the Fischer-Tropsch (FT) reaction. The formation of long-chain hydrocarbons occurs on stepped Ru surfaces with CH as the inserting monomer, whereas planar Ru only produces methane because of slow CO activation. By varying the metal-carbon and metal-oxygen interaction energy, three reactivity regimes are...

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Deactivation of cobalt and nickel catalysts in Fischer-Tropsch synthesis and methanation JAVIER BARRIENTOS Akademisk avhandling som med tillstånd av KTH i Stockholm framlägges till offentlig granskning för avläggande av teknologie doktorsexamen fredagen den 23 september kl. " True wisdom comes to each of us when we realize how little we understand about life, ourselves, and the world around us....

Fischer-Tropsch synthesis: The properties of Co/zeolite bifunctional catalysts were correlated to the product distribution in synthesis. It is observed that both acidity and pore structure play a vital role primary secondary hydrocracking/isomerization reactions.

A review was conducted on the use of thermochemical biomass gasification for producing biofuels, biopower and chemicals. The upstream processes for gasification are similar to other biomass processing methods. However, challenges remain in the gasification and downstream processing for viable commercial applications. The challenges with gasification are to understand the effects of operating co...

Most chemical reactions occur over multiple steps whose identity is elucidated by experiment, yielding a reaction mechanism. Knowledge of cognitive science suggests that mechanism elucidation can be viewed as a knowledge-guided search within a combinatorial space. The MECHEM computer program searches this space comprehensively for the simplest plausible mechanisms. We use MECHEM to find mechani...

The distribution of organic species is explored using data acquired from a new dual quadrupole system that routinely measures eighteen gaseous species. The process of condensation and its affect on gas distribution is modeled, and a new discrimination diagram based on total gaseous species and the CO2/N2 ratio is introduced. We conclude that organic species concentrations indicate source; that ...

Dispersed gas-liquid-solid flows are frequently encountered in a variety of industrial processes involving a.o. coating, granulation, drying and synthesis of fuels (Fischer Tropsch) and base chemicals. The dynamics of these flows is dictated by the motion of the individual phases and the complex mutual interactions and as a direct consequence thereof CFD-based modelling of these systems has pro...

Seven phenolic acids and many nonphenolic organic acids, including large amounts of meta-hydroxy (3-hydroxy) benzoic acid and 3-hydroxy-1,5-benzene-dicarboxylic acid, were obtained from the organic polymer of the Murchison C2 chondrite upon oxidation with alkaline cupric oxide. The phenolic acids apparently were derived from phenolic ethers in the polymer, which in turn probably were formed fro...