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

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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 ...

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 ...

Industrial chemistry heavily relies on traditional separation methods which are both energy-demanding and environmentally detrimental. This thesis addresses critical separation challenges, specifically carbon capture applications and the separation of ethy ...

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 ...

Microplastics, especially aged microplastics can become vectors of metals from environment to organisms with potential negative effects on food chain. However, a few studies focused on the bioavailability of adsorbed metals and most studies related to aged ...

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 ...

The corrosion mechanisms of a Roman iron bezel ring were investigated by in-depth characterization of its uncommon corrosion pattern and thermodynamic modelling. A silver foil and altered glass remnants were identified, covered with thick strata of magneti ...

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 ...

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 ...

MOFs are a class of porous crystalline materials whose unique properties have led to applicability in several fields ranging from gas adsorption to drug delivery. Despite their high potential, MOFs are usually found as fine powders, a property that can lim ...

JUK-8 ([Zn(oba)(pip)]n, oba2- = 4,4 '-oxybis(benzenedicarboxylate), pip = 4-pyridyl-functionalized benzene-1,3-dicarbohydrazide) is a hydrolytically stable flexible metal-organic framework. Owing to its unusual adsorptive properties, JUK-8 can be considere ...

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 ...

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 ...

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

Due to the large waste of heat in the power and industrial sectors, our use of energy is inefficient. Moreover, it relies on rapidly depleting and greenhouse-gas-emitting sources such as fossil fuels. While the scarcity of energy resources is a relevant so ...

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 ...

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 ...

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 ...

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 ...

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 ...

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

Chattez avec Graph Search

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

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

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

CO2 Capture and Management Strategies for Decarbonizing Secondary Aluminium Production

Adsorption of Copper by Naturally and Artificially Aged Polystyrene Microplastics and Subsequent Release in Simulated Gastrointestinal Fluid

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

Unique corrosion behavior of an archaeological Roman iron ring: Microchemical characterization and thermodynamic considerations

Functionalized Å-scale Pores in Graphene for Carbon Capture

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

Densification and shaping of pure Cu-BTC powders using a solid-state chemical transformation

Co-Adsorption of Alcohols and Water in JUK-8 Studied Using Quasi-Equilibrated Thermodesorption

Fungal community composition predicts forest carbon storage at a continental scale

Design and Synthesis of Bio-based Amphiphiles from Lignocellulosic Biomass

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Selection and Optimal Use of Nanoporous Materials for Adsorption Energy Technologies

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

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

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

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

On the role of system integration in plastic waste management