Characterization of the adsorption site energies and heterogeneous surfaces of porous materials

KV Kumar, S Gadipelli, B Wood… - Journal of materials …, 2019 - pubs.rsc.org
Characterization of the guest–host interactions and the heterogeneity of porous materials is
essential across the physical and biological sciences, for example for gas sorption and …

[HTML][HTML] Experimental studies, molecular simulation and process modelling\simulation of adsorption-based post-combustion carbon capture for power plants: A state …

TE Akinola, PLB Prado, M Wang - Applied Energy, 2022 - Elsevier
Adsorption-based post-combustion carbon capture is a promising emerging technology for
capturing CO 2 emissions from fossil-fueled power plants due to the ease of adsorbent …

Trends in Solid Adsorbent Materials Development for CO2 Capture

M Pardakhti, T Jafari, Z Tobin, B Dutta… - … applied materials & …, 2019 - ACS Publications
A recent report from the United Nations has warned about the excessive CO2 emissions and
the necessity of making efforts to keep the increase in global temperature below 2° C …

[HTML][HTML] Gas separation by adsorption: technological drivers and opportunities for improvement

P Pullumbi, F Brandani, S Brandani - Current Opinion in Chemical …, 2019 - Elsevier
Chemical and petrochemical companies are increasingly realizing that their sustainable
development critically depends upon development of new innovative processes that use …

Effect of nitrogen-doped activated carbon on formaldehyde adsorption behaviour in different scale pores

Y Jiao, Z Wang, H Zhao, E Meng, Z Sun, L Yang… - Applied Surface …, 2024 - Elsevier
The pore size range of activated carbon has an important effect on formaldehyde adsorption,
while nitrogen-doped can promote formaldehyde adsorption, but the mechanism of nitrogen …

Reasons of low formaldehyde adsorption capacity on activated carbon: multi-scale simulation of dynamic interaction between pore size and functional groups

K An, Z Wang, X Yang, Z Qu, F Sun, W Zhou… - Journal of Environmental …, 2022 - Elsevier
Exploring the dynamic mechanism of pore structure and surface functional groups on
formaldehyde adsorption is the key to understanding the root cause of the low adsorption …

Contribution of air-water interface in removing PFAS from drinking water: Adsorption, stability, interaction and machine learning studies

S Yuan, X Wang, Z Jiang, H Zhang, S Yuan - Water Research, 2023 - Elsevier
As a class of synthetic persistent organic pollutants, contamination of Per-and poly-
fluoroalkyl substances (PFAS) in drinking water has attracted widespread concern. Aeration …

Molecular simulation of benzene adsorption on different activated carbon under different temperatures

S Li, K Song, D Zhao, JR Rugarabamu, R Diao… - Microporous and …, 2020 - Elsevier
Four different structure models of activated carbon were constructed here by molecular
simulation method. The four models include three microporous structures with micropore …
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KV Kumar, K Preuss, L Lu, ZX Guo… - The Journal of Physical …, 2015 - ACS Publications
Nitrogen (N) do** is considered an effective design strategy to improve CO2 adsorption in
carbon materials. However, experimental quantification of such an effect is riddled with …

Modeling of activated carbon and multi-scale molecular simulation of its water vapor adsorption: A review

Z Mo, M Li, S Sun, R Zhu, D Zhan, A Li, Y Li… - Journal of …, 2024 - Elsevier
The combination of water vapor, which is ubiquitous, and activated carbons (ACs), the most
common adsorbent, is widely used in several fields, including energy storage …