Development of Consistent Kinetic Models Derived from a Microkinetic Model of the Methanol Synthesis

Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO2-rich syngas

“…Kinetic description of the direct DME synthesis is based on the six-parameter model for the MeOH synthesis from Lacerda de Oliveira Campos et al , 34 which has been extended to include the MeOH dehydration step.…”

“…Still, in our operating region of interest (CO 2 /CO x between 0.40 and 0.90), we assumed that the zinc coverage change is small enough for a simplified constant value to be considered. Therefore, we followed the approach of Lacerda de Oliveira Campos et al 34 of considering a constant zinc coverage value of 0.50.…”

Computer‐aided process intensification of natural gas to methanol process

“…The WGS kinetics is represented by the Amadeo and Laborde 41 model. Several kinetic models (e.g., Graaf et al, 42 Slotboom et al, 43 Lacerda et al, 44 Bisotti et al, 45 among others) are available for the MeOH reaction. We employ the Bussche and Froment model 46 as it shows good agreement with industrial reactor data 47,48 .…”

A CO2 valorization plant to produce light hydrocarbons: Kinetic model, process design and life cycle assessment

“…However, the integration of ab initio-based kinetics with reactor design models makes the mathematical problem too complex to incorporate into a plant simulation [32]. Simplifications of microkinetic models have been proposed with the aim of reproducing experimental observations of product distribution [33], but lumped macrokinetic models based on reactor performance are the optimal approach to design and simulate reactors [34][35][36]. Herein, we present a kinetic model that efficiently predicts the performance of our previously introduced PdZn/ZrO 2 + SAPO-34 catalyst.…”