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Harnessing Porous Materials for Efficient Gas Capture: A Computational Exploration of Structure, Function, and Workflow Automation

Related publications (25)

Decision support for the design of integrated biorefineries

A shift from fossil-based energy and products to more sustainable alternatives is essential to reduce greenhouse gas emissions and associated climate change impacts. Biomass represents a promising alternative for providing fuels and carbon-based products w ...

EPFL2023

GCC Countries Strategic Options in a Global Transition to Zero-Net Emissions

Marc Vielle, Frédéric Louis François Babonneau, Alain Haurie

Using a multi-level perspective approach combined with top-down macroeconomic models, we analyze the situation of the GCC countries in the perspective of a global transition to zero-net emissions before the end of the century. Based on these analyses, we p ...

2023

AIDRES: A database for the decarbonisation of the heavy industry in Europe

François Maréchal, Luc Girardin, Daniel Alexander Florez Orrego, Ivan Daniel Kantor, Shivom Sharma, Julia Granacher, Meire Ellen Gorete Ribeiro Domingos, Rafael Amorim Leandro De Castro Amoedo, Yi Zhao

The AIDRES database aims to support the long-term objective of a fully integrated industrial strategy in the EU 27, providing a service to the European Commission and a catalogue for industries to understand the effectiveness, efficiency and cost of potent ...

Universidad de Las Palmas de Gran Canaria2023

Alternative energy supply approach for industrial complexes and district heating networks based on biomass integrated gasification

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos

In this work, a systematic approach combining different energy solutions and the time-varying energy demands is used to identify the operating conditions and arrangements for industrial complexes. A kraft pulp mill integrated to an urban district heating n ...

Universidad de Las Palmas de Gran Canaria2023

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Elias Moubarak, Susana Garcia Lopez, Seyedmohamad Moosavi

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Readiness evaluation of SOFC-MGT hybrid systems with carbon capture for distributed combined heat and power

Jan Van Herle, Jürg Alexander Schiffmann, Victoria Xu Hong He, Michele Gaffuri

The aggravation of climate change calls for the timely development and implementation of highly efficient, renewable, zero- or negative-emission energy solutions with high technological readiness and feasibility levels. Solid oxide fuel cells (SOFC) consti ...

Elsevier2023

Autocatalysis and CO2: Carbon Capture and Utilization (CCU) Meets Natural Processes

Paul Joseph Dyson, Jorge Gustavo Uranga, Martin Hulla, Gabriela Gastelu

Autocatalytic reactions were proposed to play a key role at the beginning of life starting from the first reduction of CO2 to formate, acetate and C-1-C-4 hydrocarbons. In carbon capture and utilization (CCU) processes, the same reactions were demonstrated ...

Wiley-VCH Verlag2023

How to Decarbonize Our Energy Systems: Process-Informed Design of New Materials for Carbon Capture

Berend Smit, Susana Garcia Lopez

Decarbonisation from a variety of industrial and power emission sectors highlights a marked need for capture technologies that can be optimized for different CO2 sources and integrated into an equally diverse range of applications of captured CO2 as a feed ...

WILEY-V C H VERLAG GMBH2023

A multi-model analysis of the EU’s path to net zero

Marc Vielle, Sigit Pria Perdana

The European Union (EU) recently ratcheted its climate ambition to net-zero emissions by 2050, with a milestone of 55% emissions cuts in 2030. This study carries out a model inter-comparison to assess the EU’s path, from “Fit for 55” in 2030 to an intermed ...

2023

On the role of system integration in plastic waste management

François Maréchal, Ivan Daniel Kantor, Julia Granacher

The management of plastic waste is a growing concern that can harm wildlife and ecosystems, and its end-of-life policies are key to mitigating plastic environmental impact. This work presents a decision-making methodology for the thermal and material valor ...

Elsevier2023