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Gas hydrates are systems of prime importance. In particular, hydrogen hydrates are potential materials of icy satellites and comets, and may be used for hydrogen storage. We explore the H2O-H2 system at pressures in the range 0-100 GPa with…

Materials Science · Physics 2014-04-01 Guang-Rui Qian , Andriy O. Lyakhov , Qiang Zhu , Artem R. Oganov , Xiao Dong

Because of their unique structure, it has been proposed that carbon nanotube ropes may well provide an ideal container for the storage of molecular hydrogen. Indeed, there has been some experimental evidence of enhanced hydrogen uptake in…

Materials Science · Physics 2015-06-25 Abdenour Sabir , Wenchang Lu , Christopher Roland , Jerzy Bernholc

Greenhouse gas emissions originating from fossil fuel combustion contribute significantly to global warming, and therefore the design of novel materials that efficiently capture CO$_2$ can play a crucial role in solving this challenge.…

Materials Science · Physics 2018-03-15 V. Ongun Özçelik , Kai Gong , Claire E. White

When two solid surfaces are brought in contact, water vapor present in the ambient air may condense in the region of the contact to form a liquid bridge connecting the two surfaces : this is the so-called capillary condensation. This…

Soft Condensed Matter · Physics 2007-05-23 F. Restagno , L. Bocquet , J. Crassous , E. Charlaix

Accurate prediction of hydrogen sorption in fine-grained geological materials is essential for evaluating underground hydrogen storage capacity, assessing caprock integrity, and characterizing hydrogen migration in subsurface energy…

Machine Learning · Computer Science 2026-03-31 Mohammad Nooraiepour , Mohammad Masoudi , Zezhang Song , Helge Hellevang

Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion and desorption processes. Accurately characterizing the CO…

Astrophysics of Galaxies · Physics 2025-11-19 Giulia M. Bovolenta , Germán Molpeceres , Kenji Furuya , Johannes Kästner , Stefan Vogt-Geisse

We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents for application in post-combustion capture of $\textrm{CO}_2$.…

Underground gas storage is a critical technology in global efforts to mitigate climate change. In particular, hydrogen storage offers a promising solution for integrating renewable energy into the power grid. When injected into the…

Fluid Dynamics · Physics 2026-01-07 Peter Castellucci , Radha Boya , Lin Ma , Igor L. Chernyavsky , Oliver E. Jensen

Long liquid retention times in industrial gaps, due to capillary effects, significantly affect product lifetime by facilitating corrosion on solid surfaces. Concentration-driven evaporation plays a major role in mitigating this corrosion.…

Fluid Dynamics · Physics 2025-05-20 Phil Namesnik , Alexander Eifert , Anja Lippert , Louis Mett , Uwe Janoske

Nanofluidic transport is ubiquitous in natural systems from extra-cellular communication in biology to geological phenomena, and promotes the emergence of new technologies such as energy harvesting and water desalination. While experimental…

Soft Condensed Matter · Physics 2026-03-23 Aymeric Allemand , Anne-Laure Biance , Christophe Ybert , Laurent Joly

This paper presents Spitzer-IRS spectroscopy of the CO2 15.2 micron bending mode toward a sample of 50 embedded low-mass stars in nearby star-forming clouds, taken mostly from the ``Cores to Disks (c2d)'' Legacy program. The average…

Large-scale applications are waiting for an optimal CO2 scavenger to reinforce CCS and CCU technologies. We herein introduce and succinctly validate a new philosophy of capturing gaseous CO2 by negatively-charged carbonaceous structures.…

Materials Science · Physics 2022-12-07 Vitaly V. Chaban , Nadezhda A. Andreeva

As the global deployment of carbon capture and sequestration (CCS) technology intensifies in the fight against climate change, it becomes increasingly imperative to establish robust monitoring and detection mechanisms for potential…

Computational Engineering, Finance, and Science · Computer Science 2023-11-30 Abhinav Prakash Gahlot , Huseyin Tuna Erdinc , Rafael Orozco , Ziyi Yin , Felix J. Herrmann

Understanding the lifetime of CO2 in the atmosphere is critical for predictions regarding future climate changes. A simple mass conservation analysis presented here generates tight estimations for the atmosphere's retention time constant.…

Atmospheric and Oceanic Physics · Physics 2014-12-31 Riccardo DeSalvo

Numerical simulations of geological CO2 storage in deep saline aquifers have demonstrated that vertical equilibrium (VE) models offer a robust and computationally efficient framework for reservoir optimization and upscaling. These studies…

Geophysics · Physics 2025-08-26 Kofi Ohemeng Kyei Prempeh , Pavel Bedrikovetsky , Rouhi Farajzadeh

We derive a compositional compressible two-phase, liquid and gas, flow model for numerical simulations of hydrogen migration in deep geological repository for radioactive waste. This model includes capillary effects and the gas high…

Mathematical Physics · Physics 2008-03-03 Alain Bourgeat , Mladen Jurak , Farid Smaï

Current methods of monitoring subsurface CO$_2$, such as repeat seismic surveys, are episodic and require highly skilled personnel to acquire the data. Simulations based on simplified models have previously shown that muon radiography could…

In this article we calculate the surface phase diagram of a two-dimensional hard-rod fluid confined between two hard lines. In a first stage we study the semi-infinite system consisting of an isotropic fluid in contact with a single hard…

Statistical Mechanics · Physics 2009-11-13 Yuri Martinez-Raton

Due the alarming rate of climate change, the implementation of efficient CO$_2$ capture has become crucial. This project aims to create an algorithm that predicts the uptake of CO$_2$ adsorbing Metal-Organic Frameworks (MOFs) by using…

Machine Learning · Computer Science 2021-10-13 Mahati Manda

The convective stability associated with carbon sequestration is usually investigated by adopting an unsteady diffusive basic profile. The method of normal modes is not applicable due to the time dependence of the nonlinear base profile.…

Fluid Dynamics · Physics 2017-02-27 C. Taber Wanstall , Layachi Hadji
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