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Advanced fundamental modeling of the kinetics of Fischer–Tropsch synthesis
Author(s) -
Zhou Liping,
Froment Gilbert F.,
Yang Yong,
Li Yongwang
Publication year - 2016
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.15141
Subject(s) - fischer–tropsch process , chemistry , product distribution , catalysis , kinetics , olefin fiber , alkene , transition state theory , alkane , hydrogen , thermodynamics , reaction rate constant , organic chemistry , physics , quantum mechanics , selectivity
The kinetic modeling of Fischer–Tropsch Synthesis on an iron catalyst starting from experimental data collected in a spinning basket reactor and proceeding through the Single Event approach to limit the number of independent parameters is reported. The elementary steps are based on the carbide mechanism with hydrogen assisted CO insertion and CH 2 as the growth monomer. The evolution with the chain length of alkane‐, alkene‐, and alcohol‐selectivities in the synthesis product and their exponential‐like behavior is fundamentally generated by accounting for the effect of the structure of reactants and transition state intermediates on the rate coefficients. The olefin readsorption is included in the model but its influence on the product distribution is found to be negligible. © 2016 American Institute of Chemical Engineers AIChE J , 62: 1668–1682, 2016