Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

BC Bukowski, FJ Keil, PI Ravikovitch, G Sastre… - Adsorption, 2021 - Springer
Nanoporous solids are ubiquitous in chemical, energy, and environmental processes, where
controlled transport of molecules through the pores plays a crucial role. They are used as …

Zeolites and related sorbents with narrow pores for CO 2 separation from flue gas

O Cheung, N Hedin - Rsc Advances, 2014 - pubs.rsc.org
Adsorbents with small pores are especially relevant for capturing carbon dioxide at large
emission sources. Such sorbents could be used potentially to reduce the energy demands …

Triggered Gate Opening and Breathing Effects during Selective CO2 Adsorption by Merlinoite Zeolite

VM Georgieva, EL Bruce, MC Verbraeken… - Journal of the …, 2019 - ACS Publications
Zeolites with flexible structures that adapt to coordinate extraframework cations when
dehydrated show a rich variety of gas adsorption behavior and can be tuned to optimize …

Development of zeolite adsorbents for CO2 separation in achieving carbon neutrality

Z Tao, Y Tian, W Wu, Z Liu, W Fu, CW Kung… - npj Materials …, 2024 - nature.com
The escalating atmospheric CO2 concentration has become a global concern due to its
substantial influence on climate change, emphasizing the necessity of carbon capture to …

LTA zeolites as catalysts for transesterification of glycerol with dimethyl carbonate

J Kowalska-Kuś, A Held, K Nowińska, K Góra-Marek - Fuel, 2024 - Elsevier
The objective of this study was to investigate the use of LTA-structured zeolites as catalysts
for synthesizing glycerol carbonate through the transesterification of glycerol with dimethyl …

Enhancing the separation of C 2 H 4/C 2 H 6 in customized MOR zeolites

H Chen, B Wang, B Zhang, Y Ren, J Chen… - Inorganic Chemistry …, 2024 - pubs.rsc.org
Porous materials have been explored for separating ethylene from ethane through
adsorption, rather than cryogenic distillation, which is a significant milestone in molecular …

Adjusting gate-opening behavior in a rigid cage-type “molecular trapdoor” metal–organic framework via anion modulation

Y Tian, Z Tao, C Liu, M Sun, C Chang, Q Gu, L Li… - Chemical Engineering …, 2024 - Elsevier
Exclusive admission of targeted gas molecules by porous materials, ie, molecular sieving, is
highly sought-after to afford highly selective separation but is challenging when gas …

Molecular simulation study of wet flue gas adsorption on zeolite 13X

MJ Purdue, Z Qiao - Microporous and Mesoporous Materials, 2018 - Elsevier
Understanding the effect of moisture in an adsorbent that is selective to CO 2 over N 2 is
central to the design and development of adsorption technology for CO 2 capture and …

Adsorption properties of CH 4 and CO 2 in quartz nanopores studied by molecular simulation

H Sun, W Sun, H Zhao, Y Sun, D Zhang, X Qi, Y Li - RSC advances, 2016 - pubs.rsc.org
In this work, grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulation
methods were used to study the adsorption properties of CH4 and CO2 as single …

Cation control of molecular sieving by flexible Li-containing zeolite Rho

MM Lozinska, E Mangano, AG Greenaway… - The Journal of …, 2016 - ACS Publications
The adsorption of CO2 on zeolite Li-Rho (unit cell composition Li9. 8Al9. 8Si38. 2O96) has
been investigated by the measurement of adsorption isotherms (273–300 K), breakthrough …