In this concise review paper, we will address recent studies based on the generalized-gradient approximation (GGA) of the density functional theory (DFT) and on the periodic slab approach devoted to the understanding of the Fischer-Tropsch synthesis process on transition metal catalysts. As it will be seen, this computational combination arises as a very adequate strategy for the study of the r...

Synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and Reverse Monte Carlo simulations is used to determine the atomic-scale structure of Ru nanoparticle catalysts for the Fischer-Tropsch reaction. The rate of CO hydrogenation strongly correlates with the abundance of surface atoms with coordination numbers of 10 and 11. DFT calculations confirm that CO dissocia...

Advanced biofuels are produced by upgrading the syncrude from biomass gasification and subsequent Fischer-Tropsch (FT) synthesis. The technology is termed to liquid process (BtL) can be categorized into conventional BtL novel processes. utilizes a water gas shift reaction, while an external energy source meet H 2 demand in FT Six different routes, two based on four with solid oxide electrolyzer...

fischer-tropsch catalysts with high activity and selectivity for olefins were produced using mordenite type sio2/al2o3= 12, 20, 28, 62 zeolite supported iron carbonyl compounds and were characterized by x-ray powder diffraction. the adsorptionof volatile fe(co)5 on the support surface was carried out under vacuum at room temperature. reduction les were monitored by vibrating sample magnetometer...

A well-known observation in the Fe-catalyzed Fischer-Tropsch (FT) reaction is that Fe-carbide catalysts deactivate due to carbon deposition. In comparison, influence of such deposits on product distribution has been less widely reported. The present work investigates relationship between kinetics FT for a carburized Raney-Fe model catalyst and composition catalytic surface with focus deposits. ...

While Fischer-Tropsch synthesis (FTS) using coal and natural gas in conventional reactors is an almost well-established technology, the production of liquid hydrocarbons from syngas obtained from biomass is in its preliminary stages of commercialization in countries like Germany. With concerns about global warming and ways of disposing of CO2 being searched for, CO2 hydrogenation using FTS to l...

A method for systematic reactor design, described by Hillestad [1], is applied to the Fischer-Tropsch synthesis. The reactor path is sectioned into stages and design functions are optimized to maximize an objective function. Two different objective functions are considered: the yield of wax and a measure of the profitability. With the chosen kinetic model [2] and the path temperature constraine...

the effects of electronic properties of inner and outer surfaces of carbon nano tubes (cnts) on the deactivation of cobalt fischer-tropsch (ft) catalysts were studied. the comparative characterization of the fresh and used catalysts by tem, xrd, tpr, bet and h2 chemisorption showed that cobalt re-oxidation, cobalt-support interactions and sintering are the main sources of catalyst deactivation....

the kinetic of fischer-tropsch synthesis over a co-precipitated fe-ce catalyst was investigated in a fixed bed micro reactor. experimental conditions were varied as follow: reaction pressure 1-15bar, h¬¬¬2/co feed ratio of 1-3 and space velocity of 3600-5400 h-1 at the temperature range of 270-310°c. 4 models according to the langmuir-hinshelwood-hougen-watson (lhhw) type rate equation were der...