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

Related publications (27)

Deep learning-based recommendation system for metal-organic frameworks (MOFs)

Berend Smit, Kevin Maik Jablonka, Xiaoqi Zhang

This work presents a recommendation system for metal-organic frameworks (MOFs) inspired by online content platforms. By leveraging the unsupervised Doc2Vec model trained on document-structured intrinsic MOF characteristics, the model embeds MOFs into a hig ...

Royal Soc Chemistry2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

CO2 Capture and Management Strategies for Decarbonizing Secondary Aluminium Production

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos, Dareen Zuhir Omar Dardor

The production of aluminium largely depends on the use of fossil fuels, resulting in the emission of significant amounts of greenhouse gases. As the aluminium industry is working towards decreasing its environmental burdens, the elimination of direct emiss ...

2024

Functionalized Å-scale Pores in Graphene for Carbon Capture

Kuang-Jung Hsu

Single-layer graphene, hosting a high density of functionalized molecular-sieving atom-thick pores, is considered to be an excellent material for gas separation membranes. These functionalized atom-thick pores enable the shortest transport pathway across t ...

EPFL2024

Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning

Berend Smit, Sauradeep Majumdar, Xiaoqi Zhang

The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...

Royal Soc Chemistry2024

Fungal community composition predicts forest carbon storage at a continental scale

Nina Marion Aurélia Van Tiel

Forest soils harbor hyper-diverse microbial communities which fundamentally regulate carbon and nutrient cycling across the globe. Directly testing hypotheses on how microbiome diversity is linked to forest carbon storage has been difficult, due to a lack ...

Nature Portfolio2024

Tailoring nanocatalysts and reaction interfaces for water- and CO2-electrolysis

Thi Ha My Pham

Renewable energy sources offer a promising solution for mitigating sustainability and CO2 emissions-related issues due to their vast energy generation capacity. They enable hydrogen production via water electrolysis, as well as carbon capture and utilizati ...

EPFL2024

Design and Synthesis of Bio-based Amphiphiles from Lignocellulosic Biomass

Songlan Sun

In the pursuit of a carbon-neutral chemical industry, minimizing fossil feedstock consumption while integrating renewable carbon sources is imperative. Surfactants, inherently amphiphilic, pose challenges in separation and recovery processes. Given their e ...

EPFL2024

An explorative method to support design decisions based on carbon constraints and daylight sufficiency needs

Nazanin Rezaei Oghazi

The global construction industry contributes to 37% of carbon emissions associated to both building operations and construction. To help achieve the net-zero targets set by 2050, it is mandated to achieve a 50% reduction in carbon emissions by 2030. As we ...

EPFL2024

Spatio-temporal patterns and drivers of CH4 and CO2 fluxes from rivers and lakes in highly urbanized areas

Alexandre Buttler

Gaseous carbon exchange at the water-air interface of rivers and lakes is an essential process for regional and global carbon cycle assessments. Many studies have shown that rivers surrounding urban landscapes can be hotspots for greenhouse gas (GHG) emiss ...

Elsevier2024

Decision support for the design of integrated biorefineries

Julia Granacher

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

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, Marie Jane Francine Jones, 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, Seyedmohamad Moosavi, Elias Moubarak

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, Michele Gaffuri, Victoria Xu Hong He

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, Martin Hulla, Jorge Gustavo Uranga

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

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