Impact of kinetic models on methanol synthesis reactor predictions: in silico assessment and comparison with industrial data

F Bisotti, M Fedeli, K Prifti, A Galeazzi… - Industrial & …, 2022 - ACS Publications
The reactor is one of the most important equipment to be designed for optimal process
operations. An appropriate reactor modeling leads to an efficient and optimal process …

A Detailed Process and Techno-Economic Analysis of Methanol Synthesis from H2 and CO2 with Intermediate Condensation Steps

B Lacerda de Oliveira Campos, K John, P Beeskow… - Processes, 2022 - mdpi.com
In order to increase the typically low equilibrium CO2 conversion to methanol using
commercially proven technology, the addition of two intermediate condensation units …

Screening kinetic models for CO2-to-methanol over CuO–ZnO–ZrO2–Al2O3 (CZZA) and CuO–ZnO–ZrO2 (CZZ): Are they consistent with the experimental evidence …

F Bisotti, E Moioli, F Manenti - Chemical Engineering Journal, 2024 - Elsevier
The present Letter to the Executive Editors of the subject section of Chemical Reaction
Engineering of the Chemical Engineering Journal presents a scientific reply addressing the …

Combined role of Ce promotion and TiO2 support improves CO2 hydrogenation to methanol on Cu catalysts: Interplay between structure and kinetics

T Vergara, D Gómez, BL de Oliveira Campos… - Journal of …, 2023 - Elsevier
Ce promotion increases the rate of methanol formation by two orders of magnitude
compared to Cu/TiO 2 and Cu/SiO 2 catalysts. The promotion proceeds via the generation of …

Disclosing the Reaction Mechanism of CO2 Hydrogenation to Methanol over CuCeOx/TiO2: A Combined Kinetic, Spectroscopic, and Isotopic Study

T Vergara, D Gómez… - ACS …, 2023 - ACS Publications
Recent studies have focused on the promotion of methanol synthesis by CeO2 and the
inhibition of the reverse water gas shift reaction (r-WGSR) by TiO2 support from the …

Catalytic resonance theory: Circumfluence of programmable catalytic loops

MA Murphy, SR Gathmann, CJ Bartel… - Journal of …, 2024 - Elsevier
Chemical reactions on heterogeneous catalyst surfaces exhibit complex networks of
elementary reactions with multiple pathways to fluid phase products, sometimes leading to …

Catalytic resonance theory: forecasting the flow of programmable catalytic loops

MA Murphy, K Noordhoek, SR Gathmann… - Digital …, 2025 - pubs.rsc.org
Chemical transformations on catalyst surfaces occur through series and parallel reaction
pathways. These complex networks and their behavior can be most simply evaluated …

[HTML][HTML] Experimental study and comprehensive kinetic modeling of the direct dimethyl ether synthesis on Cu/ZnO/ZrO2 and H-FER-20

GR Niquini, BL de Oliveira Campos… - Chemical Engineering …, 2024 - Elsevier
In the direct dimethyl ether (DME) synthesis, the combination of Cu/ZnO/ZrO 2 (CZZ) and H-
FER-20 (FER) has shown high selectivity and productivity for a broad range of CO 2/CO X …

Comparative evaluation of the power-to-methanol process configurations and assessment of process flexibility

S Mbatha, X Cui, PG Panah, S Thomas… - Energy …, 2024 - pubs.rsc.org
This paper compares different power-to-methanol process configurations encompassing the
electrolyser, adiabatic reactor (s) and methanol purification configurations. Twelve different …

Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO 2-rich syngas

S Wild, BL de Oliveira Campos, TA Zevaco… - Reaction Chemistry & …, 2022 - pubs.rsc.org
Experimental kinetics studies and model-based optimization were performed for the direct
synthesis of dimethyl ether (DME) in a wide range of process conditions, including various …