A. Beretta et al., 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/, Industrial & engineering chemistry research, 35(7), 1996, pp. 2144-2153
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.