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Membrane-based CO$_2$ removal from exhaust streams has recently gained much attention as a means of reducing emissions and limiting climate change. Novel membranes for CO$_2$ removal include so called facilitated transport membranes (FTMs),…

Soft Condensed Matter · Physics 2023-08-02 M. Logemann , J. Gujt , T. Harhues , T. D. Kühne , M. Wessling

Zeolite channels can be used as effective hydrocarbon traps. Earlier experiments (Czaplewski {\sl et al.}, 2002) show that the presence of large aromatic molecules (toluene) block the diffusion of light hydrocarbon molecules (propane)…

Statistical Mechanics · Physics 2009-01-20 Sakuntala Chatterjee , Gunter M. Schütz

This study focuses on membrane-based systems for CO$_2$ separation, addressing the urgent need for efficient carbon capture solutions to mitigate climate change. Linear regression models, based on membrane equations, were utilized to…

Chemical Physics · Physics 2025-10-23 Bishwash Panerua , Biplov Paneru

The dissolution and subsequent mass transfer of carbon dioxide gas into liquid barriers plays a vital role in many environmental and industrial applications. In this work, we study the downward dissolution and propagation dynamics of CO2…

Direct simulation results for stationary gas transport through pure silica zeolite membranes (MFI, LTA and DDR types) are presented using a hybrid, non-equilibrium molecular dynamics simulation methodology introduced recently. The…

Soft Condensed Matter · Physics 2017-06-23 T. Kovács , S. Papp , T. Kristóf

Subsurface sequestration of CO2 has received attention from the global scientific community in response to climate change concerns due to higher concentrations of CO2 in the atmosphere. Mathematical models have thus been developed to aid…

Computational Physics · Physics 2020-04-28 Feyi Olalotiti-Lawal , Shusei Tanaka , Akhil Datta-Gupta

Reducing carbon dioxide emissions has become a must in society, being crucial to find alternatives to supply the energy demand. Adsorption-based cooling and heating technologies are receiving attention for thermal energy storage…

Fluid, heat and species transport and oxygen reduction in the cathode of a PEM fuel cell are simulated using multi relaxation lattice Boltzmann method. Heat generation due to oxygen reduction and its effects on transport and reaction are…

Fluid Dynamics · Physics 2021-03-03 M. Jithin , Saurabh Siddharth , Malay K. Das , Ashoke De

Human skin oils are a major sink for ozone in densely occupied indoor environments. Understanding how the resulting volatile and semivolatile organic oxidation products influence indoor air chemistry requires accurate representations not…

Soft Condensed Matter · Physics 2026-01-21 Rinto Thomas , Praveen Ranganath Prabhakar , Douglas J. Tobias , Michael von Domaros

Effective water management is essential for the optimal performance of PEM fuel cells. We have developed an impedance model for liquid water transport through the membrane and coupled it with the two-phase model for cathode side impedance.…

Chemical Physics · Physics 2026-01-16 Andrei Kulikovsky , Tatyana Reshetenko

We combine modeling and measurements to investigate the dynamics of convective carbon dioxide (CO$_2$) dissolution in a pressure-volume-temperature cell, extending a recent study by Wen et al. (J. Fluid Mech., vol. 854, 2018, pp. 56--87) at…

Fluid Dynamics · Physics 2021-07-07 Baole Wen , Zhuofan Shi , Kristian Jessen , Marc A. Hesse , Theodore T. Tsotsis

The density-driven convection coupled with chemical reaction is the preferred mechanism for permanently storing CO2 in saline aquifers. This study uses a 2D visual Hele-Shaw cell to evaluate and visualize the density-driven convection…

Fluid Dynamics · Physics 2022-10-05 Md Fahim Shahriar , Aaditya Khanal

Membranes regulate transport in a wide variety of industrial and biological applications. The microscale geometry of the membrane can significantly affect overall transport through the membrane, but the precise nature of this multiscale…

Soft Condensed Matter · Physics 2026-02-02 Molly Brennan , Edwina F. Yeo , Philip Pearce , Mohit P. Dalwadi

Wetting of the membrane to displace air or conditioning liquids is important to exploit the complex porosity of a filtration membrane. This study reveals the details of wetting in multibore membrane-based filtration modules. Using magnetic…

Applied Physics · Physics 2022-04-12 Denis Wypysek , Anna Maria Kalde , Florian Pradellok , Matthias Wessling

A model for ionic and electronic grain boundary transport through thin films, scales or membranes with columnar grain structure is introduced. The grain structure is idealized as a lattice of identical hexagonal cells - a honeycomb pattern.…

Materials Science · Physics 2017-05-05 M. P. Tautschnig , N. M. Harrison , M. W. Finnis

A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity) in the system. The system absorbs CO2 from the air when the…

Chemical Physics · Physics 2017-02-02 Xiaoyang Shi , Hang Xiao , Xi Chen , Klaus. S. Lackner

Two different heat-transport mechanisms are discussed in solids: in crystals, heat carriers propagate and scatter particle-like as described by Peierls' formulation of the Boltzmann transport equation for phonon wavepackets. In glasses,…

Materials Science · Physics 2022-07-12 Michele Simoncelli , Nicola Marzari , Francesco Mauri

In this work, we proposes a CO2-temperature network model that links multi-zone mass transport and thermal dynamics through shared latent drivers, airflow and occupancy. The thermal component is formulated as a resistance-capacitance (RC)…

Numerical Analysis · Mathematics 2026-05-12 Zhijian Wang , Stein K. F. Stoter , Clemens V. Verhoosel , Idoia Cortes Garcia

Atmospheric chemistry encapsulates the emission of various pollutants, the complex chemistry reactions, and the meteorology dominant transport, which form a dynamic system that governs air quality. While deep learning (DL) models have shown…

Atmospheric and Oceanic Physics · Physics 2025-10-08 Mijie Pang , Jianbing Jin , Arjo Segers , Hai Xiang Lin , Guoqiang Wang , Hong Liao , Wei Han

$\text{CO}_{2}$ flooding is central to carbon utilization technologies, yet conventional waterflooding models fail to capture the complex interactions between CO$_2$ and formation fluids. In this study, one- and two-dimensional nuclear…

Fluid Dynamics · Physics 2025-07-01 Xiaoyi Zhang , Rui Xu , Qing Zhao , Qian Cheng , Rui Shen , Yanbiao Gan
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