Kinetic study, modeling, Fischer-Tropsch synthesis

Detailed Kinetic Study and Modeling of the Fischer-Tropsch Synthesis over a State-of-the-Art Cobalt-Based Catalyst... 

Kinetic Study and Modeling of the Fischer-Tropsch Synthesis... 

This paper discusses research efforts towards the prediction of hydrocarbon product distribution for the Fischer-Tropsch synthesis (FTS) on a cobalt-based catalyst using a micro-kinetic model taken fiom the literature. In the first part of the study, a MATLAB code has been developed which uses the Genetic Algorithm Toolbox to estimate parameter values for the kinetic model. The second part of the study describes an ongoing experimental campaign to validate the model predictions of the fixed-bed reactor FTS product distribution in both conventional (gas phase) and non-conventional (near-critical and supercritical phase) reaction media. 

This study explores the potential of periodic operation for the Fischer-Tropsch synthesis aiming at Diesel range products. The approach followed is modeling the process in a dynamic form using a simple CSTR reactor configuration. The kinetic scheme is based on steady-state data reported in literature. The steady-state behavior is in agreement with experimental observations reported earlier by various research groups. 

The catalytically active phase was assumed to be exclusively a-Fe, and Fe304 was assumed not to be active for the Fischer-Tropsch reaction. Kinetic parameters for the simulations were obtained independently in separate oxidation/reduction studies. Balancing the oxidation and reduction rates for the CO/CO2 and the H2/H2O systems independently and describing the rate of synthesis in Fischer-Tropsch reactions by a standard expression, Caldwell could predict the oscillations with a simplified model for a tubular reactor fairly well. 

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