DEVELOPMENT OF A MECHANISTIC KINETIC-MODEL OF THE HIGHER ALCOHOL SYNTHESIS OVER A CS-DOPED ZN CR/O CATALYST .1. MODEL DERIVATION AND DATA FITTING/

A kinetic model of the synthesis of higher alcohols from CO/H-2 mixtur es (HAS) has been developed. The model is grounded on the chemistry of the synthesis, and its structure closely reflects previous mechanisti c findings in HAS over modified methanol synthesis catalysts. It provi des a detailed description of the product distribution, including CO2, methanol, primary and secondary alcohols up to C-8, the corresponding aldehydes and ketones, methane, and higher hydrocarbons. Isothermal k inetic data over a Cs-promoted Zn/Cr/O catalyst which represent the ef fects of space velocity, reaction pressure, and feed composition (H-2/ CO ratio, CO2 feed content) are successfully fitted using a single set of chemically consistent estimates of the rate parameters. The model is further tested against chemical enrichment experiments in part 2 of the present work.