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Atmosphere
Special Issues
Recent Advances in Gases Adsorption and Transport Behavior
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Recent Advances in Gases Adsorption and Transport Behavior

A special issue of Atmosphere (ISSN 2073-4433). This special issue belongs to the section "Air Pollution Control".

Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 6068

Special Issue Editors

Dr. Arun Kumar Narayanan Nair

E-Mail Website
Guest Editor
Physical Science and Engineering Division (PSE), Computational Transport Phenomena Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Saudi Arabia
Interests: molecular simulations; clays; polymers; shale; environmental science; density gradient theory
Dr. Shuyu Sun

E-Mail Website
Guest Editor
reservoir simulations; finite element methods; flash calculation; deep learning algorithms
Interests: numerical oil reservoir simulations and computational transport phenomena; computational thermodynamics of reservoir fluid; finite element methods
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Annually, more than 30 Gt of CO2 is globally emitted, mostly due to the combustion of fossil fuels. This leads to global warming and many related climatic issues. The goal of the Paris Agreement 2015 is to limit global warming to well below 2 °C, compared to pre-industrial levels. Many countries around the world aim to reach net zero carbon emissions in the next few decades and are focusing on initiatives in the energy sector to reduce carbon emissions. Further measures include: reducing methane emissions and investing in new energy sources, including hydrogen.

In recent years, experiments, molecular simulations and theoretical approaches have been extensively employed to obtain insights into the processes involved in environmentally friendly energy production. The sorption and transport processes of fluids in nanoporous systems are of particular interest and importance. In reality, environmentally friendly contributions could come from the separation of CO2 from industrial exhausts and the sequestration of CO2 in reservoirs which can be combined with the enhanced-oil-recovery (EOR) methods and shale gas production. Furthermore, hydrogen storage devices are important for new energy sources such as fuel cells.

In this Special Issue, we welcome experimental and theoretical/simulation studies to help develop environmentally friendly applications relevant to the mitigation of climate change. The areas of focus include, but are not limited to, CO2 separation from industrial exhausts using improved nanoporous materials/solvents such as ionic liquids, the environmental implications of surfactants/polymers/nanoparticles used in EOR, hydrogen storage in porous media such as modified carbon nanotubes and metal-organic frameworks, and membranes/clathrates for water desalination.

Dr. Arun Kumar Narayanan Nair
Dr. Shuyu Sun
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Atmosphere is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Gas adsorption
  • Gas transport
  • Molecular simulation
  • Reservoir simulation
  • Nanoporous systems
  • Clays
  • Polymers
  • Carbon nanotubes
  • Shale
  • Metal organic frameworks

Published Papers (2 papers)

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Research

13 pages, 1981 KiB  
Article
Tyrosine, Phenylalanine, and Tryptophan Undergo Self-Aggregation in Similar and Different Manners
by Sahin Uyaver
Atmosphere 2022, 13(9), 1448; https://doi.org/10.3390/atmos13091448 - 07 Sep 2022
Cited by 2 | Viewed by 3373
Abstract
Phenylalanine, tyrosine, and tryptophan are aromatic amino acids, and they are of high interest in both health science and biotechnology. These amino acids form organized structures, like fibrils and nanotubes. Although these amino acids belong to the same family, they still differ from [...] Read more.
Phenylalanine, tyrosine, and tryptophan are aromatic amino acids, and they are of high interest in both health science and biotechnology. These amino acids form organized structures, like fibrils and nanotubes. Although these amino acids belong to the same family, they still differ from each other with respect to polarity, hydrophobicity as well as internal structures. In this work, we performed extensive molecular dynamics simulations to investigate the dynamics of the self-aggregations of these amino acids and studied the details of the formed structures. The amino acid monomers placed in water were simulated at a constant temperature. It has been observed that they compose nanostructures with similarities and differences. Full article
(This article belongs to the Special Issue Recent Advances in Gases Adsorption and Transport Behavior)
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18 pages, 1505 KiB  
Article
Interfacial Properties of H2O+CO2+Oil Three-Phase Systems: A Density Gradient Theory Study
by Yafan Yang, Weiwei Zhu, Yukun Ji, Tao Wang and Guangsi Zhao
Atmosphere 2022, 13(4), 625; https://doi.org/10.3390/atmos13040625 - 14 Apr 2022
Cited by 5 | Viewed by 1772
Abstract
The interfacial property of H2O+CO2+oil three-phase systems is crucial for CO2 flooding and sequestration processes but was not well understood. Density gradient theory coupled with PC-SAFT equation of state was applied to investigate the interfacial tension (IFT) of [...] Read more.
The interfacial property of H2O+CO2+oil three-phase systems is crucial for CO2 flooding and sequestration processes but was not well understood. Density gradient theory coupled with PC-SAFT equation of state was applied to investigate the interfacial tension (IFT) of H2O+CO2+oil (hexane, cyclohexane, and benzene) systems under three-phase conditions (temperature in the range of 323–423 K and pressure in the range of 1–10 MPa). The IFTs of the aqueous phase+vapor phase in H2O+CO2+oil three-phase systems were smaller than the IFTs in H2O+CO2 two-phase systems, which could be explained by enrichment of oil in the interfacial region. The difference between IFTs of aqueous phase+vapor phase in the three-phase system and IFTs in H2O+CO2 two-phase system was largest in the benzene case and smallest in the cyclohexane case due to different degrees of oil enrichment in the interface. Meanwhile, CO2 enrichment was observed in the interfacial region of the aqueous phase+oil-rich phase, which led to the reduction of IFT with increasing pressure while different pressure effects were observed in the H2O+oil two-phase systems. The effect of CO2 on the IFTs of aqueous phase+benzene-rich phase interface was small in contrast to that on the IFTs of aqueous phase+alkane (hexane or cyclohexane)-rich phase interface. H2O had little effect on the interfacial properties of the oil-rich phase+vapor phase due to the low H2O solubilities in the oil and vapor phase. Further, the spreading coefficients of H2O+CO2 in the presence of different oil followed this sequence: benzene > hexane > cyclohexane. Full article
(This article belongs to the Special Issue Recent Advances in Gases Adsorption and Transport Behavior)
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