Results 161 to 170 of about 9,674 (265)

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

open access: yesChemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer   +3 more
wiley   +1 more source

Potential Analysis of On‐Site Oxygen and Ozone Production for Wastewater Treatment Plants

open access: yesChemie Ingenieur Technik, EarlyView.
The potential of a power‐to‐gas process focusing on the oxygen stream to cover an upcoming demand of ozone at German wastewater treatment plants is analyzed. Economic and ecological parameters are compared to the conventional production of hydrogen and oxygen. Powered by on‐site produced wind energy, the process is deemed beneficial.
Vincenta Franßen   +3 more
wiley   +1 more source

Global and Detailed Calculation of Tube Wall Temperature in a Process Furnace Steam Superheater

open access: yesChemie Ingenieur Technik, EarlyView.
This study presents a comparison between an iterative global model and multiple approaches to a new non‐iterative model with the purpose of predicting tube wall temperature of a superheater. The results show that the non‐iterative method achieves sufficient accuracy while improving the prediction of local temperature distribution and better ...
Anežka Michálková, Zdeněk Jegla
wiley   +1 more source

Internal Carbon Cycles in the Steel Industry: Pathways for CO2 Management and Carbon Capture Utilization

open access: yesChemie Ingenieur Technik, EarlyView.
The steel industry accounts for about 7%‐9% of global CO2 emissions. While H2‐based direct reduction is a long‐term route, near‐term solutions are needed for existing plants. Internal carbon cycles reuse steelworks off‐gases and by‐products, enabling circular carbon use and supporting CCU integration.
Florian Haakmann   +4 more
wiley   +1 more source

Effect of different flue gas recirculation rates on low‐NOx combustion characteristics: A numerical simulation based on the combustion process of a gas boiler

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract NOx emissions from gas boilers severely impact the environment, and flue gas recirculation (FGR) technology can effectively reduce such emissions, yet the effects of different FGR rates on combustion performance and NOx formation remain unclear. This study thus used numerical simulation (via ANSYS Fluent, adopting the realizable k‐ε turbulence
Chao Min   +3 more
wiley   +1 more source

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