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Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids
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 …
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
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 …
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
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 …
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
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 …
substantial influence on climate change, emphasizing the necessity of carbon capture to …
LTA zeolites as catalysts for transesterification of glycerol with dimethyl carbonate
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 …
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 …
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
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 …
highly sought-after to afford highly selective separation but is challenging when gas …
Molecular simulation study of wet flue gas adsorption on zeolite 13X
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 …
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 …
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
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 …
been investigated by the measurement of adsorption isotherms (273–300 K), breakthrough …