REDUCTION OF THE GAS-PHASE REACTION MECHANISM OF ISO-OCTANE FOR THE CPOX AND NON-CATALYTIC APPLICATIONS
Huseyin Karadeniz Hakan Serhad Soyhan Cem Sorusbay
AbstractIn this study, skeletal mechanisms for the CPOX of iso-octane and non-catalytic study of gas composition after CPOX process are developed. Skeletal mechanisms are obtained and validated for the numerical prediction of reactants, products and by-products for different operating conditions within batch and plug flow reactor in the DETCHEM software. It is shown that skeletal mechanisms with 61-62% less species and 57-59% less reactions than the detailed mechanism allow accurate prediction of the species distributions in the batch reactor. Additionally, selected skeletal mechanism is simulated for the numerical prediction of isooctane, hydrogen and soot-precursors within the plug flow reactor after reforming. Plug flow simulations also proved the applicability of the skeletal mechanism for the considered noncatalytic cases.