DEVELOPMENT OF A MECHANISTIC KINETIC-MODEL OF THE HIGHER ALCOHOL SYNTHESIS OVER A CS-DOPED ZN CR/O CATALYST .2. ANALYSIS OF CHEMICAL ENRICHMENT EXPERIMENTS/
A. Beretta et al., DEVELOPMENT OF A MECHANISTIC KINETIC-MODEL OF THE HIGHER ALCOHOL SYNTHESIS OVER A CS-DOPED ZN CR/O CATALYST .2. ANALYSIS OF CHEMICAL ENRICHMENT EXPERIMENTS/, Industrial & engineering chemistry research, 35(7), 1996, pp. 2154-2160
A previously developed kinetic model of higher alcohol synthesis over
Cs-doped Zn/Cr/O catalysts is tested against chemical enrichment exper
iments. By simulating the addition of selected reaction intermediates
to the CO/H-2 feed stream and comparing predicted and measured effects
on the product distribution, novel pieces of evidence are gained conc
erning the mechanistic consistency of the model. The adequacy of the k
inetic scheme is confirmed. However, inaccuracies due to the lack of p
revious information and to the numerical complexity of the model have
been identified. In particular, an overestimation of the contribution
of ketones in the chain-growth process of aldehydes and primary alcoho
ls has been detected. Such inaccuracies were well disguised by the sat
isfactory fit of the model to standard kinetic data and by the chemica
l consistency of the parameter estimates and could be put into light o
nly by the present perturbative analysis of the model.