Machine learning-driven catalyst design, synthesis and performance prediction for CO2 hydrogenation

M Asif, C Yao, Z Zuo, M Bilal, H Zeb, S Lee… - Journal of Industrial and …, 2024 - Elsevier
Atmospheric concentrations of CO 2 must be lowered to mitigate climate change and rising
global temperatures. CO 2 utilization is the most promising approach for the sustainable …

Recent progress in direct DME synthesis and potential of bifunctional catalysts

S Banivaheb, S Pitter, KH Delgado… - Chemie Ingenieur …, 2022 - Wiley Online Library
PtX technologies are one major building block of the future energy system based on
renewables sources. Dimethyl ether (DME) is an important PtX product that can be used as …

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 …

Machine learning applications in catalytic hydrogenation of carbon dioxide to methanol: A comprehensive review

EG Aklilu, T Bounahmidi - International Journal of Hydrogen Energy, 2024 - Elsevier
The catalytic hydrogenation of carbon dioxide (CO 2) to methanol presents a significant
opportunity for both mitigating climate change and producing a valuable chemical feedstock …

[HTML][HTML] A comprehensive study on production of methanol from wind energy

I Sharma, V Shah, M Shah - Environmental Technology & Innovation, 2022 - Elsevier
Methanol is a promising new alternative fuel that emits significantly less carbon dioxide than
gasoline. Traditionally, methanol was produced by gasifying natural gas and coal. Syn-Gas …

Recent advances in bifunctional synthesis gas conversion to chemicals and fuels with a comparison to monofunctional processes

L Weber, CH Mejía, K de Jong… - Catalysis Science & …, 2024 - pubs.rsc.org
In order to meet the climate goals of the Paris Agreement and limit the potentially
catastrophic consequences of climate change, we must move away from the use of fossil …

Modification strategies of heterogeneous catalysts for water–gas shift reactions

X Gao, X Lin, X Xie, J Li, X Wu, Y Li… - Reaction Chemistry & …, 2022 - pubs.rsc.org
Featuring high energy density, hydrogen has been deemed as a clean and renewable
energy source as compared with conventional fossil fuels. The water–gas shift reaction …

Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling

A Rajan, AP Pushkar, BC Dharmalingam, JJ Varghese - Iscience, 2023 - cell.com
Modern heterogeneous catalysis has benefitted immensely from computational predictions
of catalyst structure and its evolution under reaction conditions, first-principles mechanistic …

Mechanistic and Compositional Aspects of Industrial Catalysts for Selective CO2 Hydrogenation Processes

G Busca, E Spennati, P Riani, G Garbarino - Catalysts, 2024 - mdpi.com
The characteristics of industrial catalysts for conventional water-gas shifts, methanol
syntheses, methanation, and Fischer-Tropsch syntheses starting from syngases are …