Assessment of the pre-combustion carbon capture contribution into sustainable development goals SDGs using novel indicators

AG Olabi, K Obaideen, K Elsaid, T Wilberforce… - … and Sustainable Energy …, 2022 - Elsevier
The rapid progress in the global population and technical advances have resulted in
exponential growth in the use of fossil fuels. These are not only limited in resources but also …

[HTML][HTML] Xenon gas separation and storage using metal-organic frameworks

D Banerjee, CM Simon, SK Elsaidi, M Haranczyk… - Chem, 2018 - cell.com
The global demand for Xenon (Xe), a noble gas with applications in electronics, lighting, and
the medical industry, is expected to increase significantly over the coming decades …

2D Molecular Sheets of Hydrogen‐Bonded Organic Frameworks for Ultrastable Sodium‐Ion Storage

Y Wu, X Mao, M Zhang, X Zhao, R Xue, S Di… - Advanced …, 2021 - Wiley Online Library
There has been growing research interest in hydrogen bonded organic frameworks (HOFs)
by virtue of their great structural crystallinity, large surface areas and porosity. Their potential …

How reproducible are isotherm measurements in metal–organic frameworks?

J Park, JD Howe, DS Sholl - Chemistry of Materials, 2017 - ACS Publications
Scientific progress is severely impeded if experimental measurements are not reproducible.
Materials chemistry and related fields commonly report new materials with limited attention …

Silica aerogel synthesis/process–property predictions by machine learning

RC Walker, AP Hyer, H Guo, JK Ferri - Chemistry of Materials, 2023 - ACS Publications
Silica aerogels are mesoporous high surface area materials with extensive synthetic and
processing conditions. To effectively synthesize aerogels, the impact of synthetic pathways …

[HTML][HTML] MOF-based MMMs breaking the upper bounds of polymers for a large variety of gas separations

H Daglar, S Aydin, S Keskin - Separation and Purification Technology, 2022 - Elsevier
Mixed matrix membranes (MMMs) are a strong alternative to the conventional polymeric
membranes which suffer from a trade-off between selectivity and gas permeability …

Elucidating the sorption mechanisms of environmental pollutants using molecular simulation

SZ Mousavi, HR Shadman, M Habibi… - Industrial & …, 2023 - ACS Publications
With the global expansion of industrial activities, the entry of various pollutants into the
environment has remained a serious issue. One of the best ways to remove these pollutants …

Force field development from periodic density functional theory calculations for gas separation applications using metal–organic frameworks

R Mercado, B Vlaisavljevich, LC Lin… - The Journal of …, 2016 - ACS Publications
We present accurate force fields developed from density functional theory (DFT) calculations
with periodic boundary conditions for use in molecular simulations involving M2 (dobdc)(M …

Metal-organic frameworks: Advances in first-principles computational studies on catalysis, adsorption, and energy storage

J Peng, Y Zhao, X Wang, X Zeng, J Wang… - Materials Today …, 2024 - Elsevier
Metal-organic frameworks (MOFs) have exhibited tremendous potential in catalysis, gas
storage, drug delivery, and sensing due to their high surface area, high porosity, and …

Adsorption and separation of propane/propylene on various ZIF-8 polymorphs: Insights from GCMC simulations and the ideal adsorbed solution theory (IAST)

L Li, Y Duan, S Liao, Q Ke, Z Qiao, Y Wei - Chemical Engineering Journal, 2020 - Elsevier
Olefin/paraffin separation is critical for modern chemical industry, yet consumes huge
amount of energy as these molecules are very similar. ZIF-8 polymorphs brought very …