Syed Naqvi - Selective Homogeneous Oxidation System for Producing Hydroperoxides Concentrate: Kinetic Simulation of Catalytic Oxidation of Gas Oils

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  Publication Details (including relevant citation   information):

  Ind. Eng. Chem. Res. 49, 7210 (2010)


  Homogeneous production of hydroperoxides concentrate has been   simulated via multivariate calibration of yield data, obtained   during an earlier study [Naqvi S. M. D.; Khan F. Ind. Eng.   Chem. Res. 2009, 48, 5642] made on the air   oxidation of diluted gas oils in the presence of chemically   generated redox couple Co(III)/Co(II). Principal component   analysis has been applied to abstract dynamic hydroperoxides   yield data that provides the basis for the simulation. A novel   chemometric technique, inverse nonlinear principal component   regression, has been introduced to simulate experimental yield   profiles with exceptional accuracy (R2 = 0.9841).   Simulated yield profiles have then been subjected to   Levenberg-Marquardt method in order to estimate the rate   constants for formation and decomposition of hydroperoxides.   These estimations have permitted the development of two   reasonably accurate multivariate global models that relate the   specific rates, for formation (R2 = 0.8873) and   decomposition (R2 = 0.9504) of hydroperoxides, to   process and composition variables. Construction of such models   allows the specific rates to be optimized so that the reactor   could be operated at an oil conversion (up to ≈ 5%) that is   almost proportional to the yield of hydroperoxides ensuring   selectivity ≈ 88%.

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