MODELING AND SIMULATION OF ISO-OCTANE PRODUCTION KINETIC BY USING NONLINEAR LEAST SQUARES METHOD

Experimental reaction data must be fitted into a useful reaction rate equation in order to use in the simulation of reactor design and sizing. The optimization techniques of experimental data of homogenous reaction are well established, many challenges are encountered when experimental data are of catalytic reactions. A computer simulation tool has been developed to accept experimental reaction data and fit the data into a nonlinear reaction rate equation. Five mathematical models have been developed of heterogeneous chemical reaction of iso-octene with hydrogen. Then nonlinear regression for these models done depending on the experimental data produced by Hougen and Watson (1959). Regression done by using Polymath V6.1 to evaluate the kinetic constants of the models. Results reveal the adsorption of hydrogen and iso-octene occur firstly on different active sites of a catalyst surface followed by a surface chemical reaction, and the hydrogenation chemical reaction is limiting by a surface reaction step according to dual sites mechanism. So it can be concluded that a Polymath program is a powerful tool to solve the optimization problem in heterogeneous catalysis.