Combustion, chemistry, and carbon neutrality

K Kohse-Höinghaus - Chemical Reviews, 2023 - ACS Publications
Combustion is a reactive oxidation process that releases energy bound in chemical
compounds used as fuels─ energy that is needed for power generation, transportation …

[HTML][HTML] A review on exhaust gas after-treatment of lean-burn natural gas engines–From fundamentals to application

P Lott, M Casapu, JD Grunwaldt… - Applied Catalysis B …, 2024 - Elsevier
Modern lean-operated internal combustion engines running on natural gas, biogas or
methane produced from wind or solar energy are highly fuel-efficient and can greatly …

Machine learning in chemical reaction space

S Stocker, G Csanyi, K Reuter, JT Margraf - Nature communications, 2020 - nature.com
Chemical compound space refers to the vast set of all possible chemical compounds,
estimated to contain 1060 molecules. While intractable as a whole, modern machine …

Reaction Kinetics of CO and CO2 Methanation over Nickel

D Schmider, L Maier… - Industrial & Engineering …, 2021 - ACS Publications
Methanation of both CO and CO2 with electrolysis-sourced hydrogen is a key step in power-
to-gas technologies with nickel as the most prominent catalyst. Here, a detailed …

A unified research data infrastructure for catalysis research–challenges and concepts

C Wulf, M Beller, T Boenisch, O Deutschmann… - …, 2021 - Wiley Online Library
Modern research methods produce large amounts of scientifically valuable data. Tools to
process and analyze such data have advanced rapidly. Yet, access to large amounts of high …

[HTML][HTML] Heterogeneous chemical reactions—A cornerstone in emission reduction of local pollutants and greenhouse gases

P Lott, O Deutschmann - Proceedings of the Combustion Institute, 2023 - Elsevier
The current state and challenges of advanced experimental and modeling methods for a
better understanding of heterogeneous chemical reactions are discussed using examples …

Reduction of CO2 Emission from Off‐Gases of Steel Industry by Dry Reforming of Methane

SD Angeli, S Gossler, S Lichtenberg… - Angewandte Chemie …, 2021 - Wiley Online Library
In a novel process, CO2 and CH4 from the off‐gases of the coke oven and blast furnace are
used in homogeneous reforming of those greenhouse gases to valuable syngas, a mixture …

Interconnected Digital Solutions to Accelerate Modeling of the Reaction Kinetics in Catalysis

R Chacko, H Gossler, S Angeli… - ChemCatChem, 2024 - Wiley Online Library
Microkinetic modeling is a widely used tool in the domain of heterogeneous catalysis to gain
valuable insights about the fundamental surface kinetics, crucial to designing improved …

Automatic validation and analysis of predictive models by means of big data and data science

E Ramalli, T Dinelli, A Nobili, A Stagni, B Pernici… - Chemical Engineering …, 2023 - Elsevier
Validation is an essential procedure in the development of a predictive model in several
engineering fields. In addition, recent data analysis techniques and the increasing …

Microkinetic Modeling of the Oxidation of Methane Over PdO Catalysts—Towards a Better Understanding of the Water Inhibition Effect

K Keller, P Lott, H Stotz, L Maier, O Deutschmann - Catalysts, 2020 - mdpi.com
Water, which is an intrinsic part of the exhaust gas of combustion engines, strongly inhibits
the methane oxidation reaction over palladium oxide-based catalysts under lean conditions …