[HTML][HTML] Hydrophobic and hydrophilic functional groups and their impact on physical adsorption of CO2 in presence of H2O: A critical review

M Gorbounov, P Halloran, SM Soltani - Journal of CO2 Utilization, 2024 - Elsevier
Surface functional groups (SFGs) play a key role in adsorption of any target molecule and
CO 2 is no exception. In fact, due to its quadrupole nature, different SFGs may attract either …

Polymer Sorbent Design for the Direct Air Capture of CO2

M Robertson, J Qian, Z Qiang - ACS Applied Polymer Materials, 2024 - ACS Publications
Anthropogenic activities have resulted in enormous increases in atmospheric CO2
concentrations particularly since the onset of the Industrial Revolution, which have potential …

Tailoring Hydrophobicity and Pore Environment in Physisorbents for Improved Carbon Dioxide Capture under High Humidity

X Wang, M Alzayer, AJ Shih, S Bose… - Journal of the …, 2024 - ACS Publications
CALF-20, a Zn-triazolate-based metal–organic framework (MOF), is one of the most
promising adsorbent materials for CO2 capture. However, competitive adsorption of water …

[HTML][HTML] Elucidating the failure of the Ideal Adsorbed Solution Theory for CO2/H2O mixture adsorption in CALF-20

R Krishna, JM van Baten - Separation and Purification Technology, 2025 - Elsevier
The use of CALF-20 for CO 2 capture from humid flue gases has attracted a vast amount of
attention from both academia and industry. The focus of this article is on CO 2/H 2 O mixture …

Competitive CO2/H2O Adsorption on CALF-20

TTT Nguyen, BM Balasubramaniam… - Industrial & …, 2024 - ACS Publications
Equilibrium and breakthrough studies of H2O adsorption and the competition of CO2/H2O
on a physisorbent metal–organic framework (MOF) CALF-20, commercialized for CO2 …

Green and Scalable Preparation of an Isomeric CALF‐20 Adsorbent with Tailored Pore Size for Molecular Sieving of Propylene from Propane

Z Deng, L Yang, H Xiong, J Liu, X Liu, Z Zhou… - Small …, 2024 - Wiley Online Library
Molecular sieving of propylene (C3H6) from propane (C3H8) is highly demanded for C3H6
purification. However, delicate control over aperture size to achieve both high C3H6 uptake …

Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

R Oktavian, R Goeminne, LT Glasby, P Song… - Nature …, 2024 - nature.com
In 2021, Svante, in collaboration with BASF, reported successful scale up of CALF-20
production, a stable MOF with high capacity for post-combustion CO2 capture which exhibits …

Engineering of an Isoreticular Series of CALF-20 Metal–Organic Frameworks for CO2 Capture

K Gopalsamy, D Fan, S Naskar, Y Magnin… - ACS Applied …, 2024 - ACS Publications
A series of linker-substituted ultramicroporous CALF-20 metal–organic frameworks (MOFs)
were built in silico, and their CO2 capture performances over N2 in flue gas conditions were …

Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases

E Palos, EF Bull-Vulpe, X Zhu, H Agnew… - Journal of Chemical …, 2024 - ACS Publications
Developing a molecular-level understanding of the properties of water is central to
numerous scientific and technological applications. However, accurately modeling water …

CO2 adsorption by coal fly ash zeolite and modified zeolite-templated carbon

Z Zhao, Y Zhang, RM Othman, W Ha, J Wang… - Process Safety and …, 2024 - Elsevier
Coal fly ash (CFA), as the main by-product of coal-fired power plants, has a high content of
silica-aluminium elements that can be used to prepare zeolite by the alkali fusion method …