Kinetic modelling of methanol synthesis over commercial catalysts: A critical assessment

Understanding catalytic CO2 and CO conversion into methanol using computational fluid dynamics

“…The same applies to reaction mechanisms, especially since the errors of the various kinetic models increase outside the operating range for which they were defined. 53 In the current model comparison, some discrepancies could be seen in feed 23 This can help validate the two KMs better and increase our understanding of the overall kinetics. After further validation, the CFD model can also be used as a predictive tool for the identification of temperature hotspots or for process optimisation, e.g.…”

“…Methanol synthesis from a mixture of CO 2 /CO/H 2 has been widely studied for its kinetics and reactions equilibrium. In this paper, two of the available kinetic models in the literature, those of Park et al 46 and of Nestler et al, 53 are compared using a CFD simulation. The kinetic models are validated, based on previously published experimental results, in terms of their mechanistic predictions within the catalytic bed.…”

“…To identify which of the available models is better suited to predict experimental results, several works have compared them. Nestler et al 53 and Wilkinson et al 43 both compared the Bussche and Graaf KMs, though did not consider Park's KM. 46 Both concluded that Bussche's KM is more accurate, as the kinetic constants of Graaf's model were derived for an older, less active version of the commercial MeOH synthesis catalyst.…”

“…46 Both concluded that Bussche's KM is more accurate, as the kinetic constants of Graaf's model were derived for an older, less active version of the commercial MeOH synthesis catalyst. 53 Following this, Nestler et al 53 insisted that these KMs are only suitable for the specific range of pressures, stoichiometric numbers and CO/CO 2 ratios from which they were derived. They should not be extrapolated outside this range to minimise the simulation errors.…”

Isomorphous substitution method to fabricating pure phase Al‐doped zinc malachite: defects driven promotion improvement and enhanced synergy between Cu−ZnO

“…Among these, coprecipitation technique is widely utilised owing to its ease of synthesis [3] . However, the complexity of the process leads to the mixed phase precursors, viz., malachite, rosasite, hydrozincite, hydrotalcite and aurichalcite, that lead to a declined catalytic performance [4–5] . As a result, the development of a new synthetic strategy for methanol synthesis catalyst from phase pure precursor is of great interest.…”