[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 …

Computational and Machine Learning Methods for CO2 Capture Using Metal–Organic Frameworks

H Mashhadimoslem, MA Abdol, P Karimi… - ACS …, 2024 - ACS Publications
Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made
significant progress and provided benefits in the fields of chemistry and material science …

High-throughput computational screening and machine learning model for accelerated metal–organic frameworks discovery in toluene vapor adsorption

X Liu, R Wang, X Wang, D Xu - The Journal of Physical Chemistry …, 2023 - ACS Publications
Some hazardous gases, like toluene vapor, have caused serious environmental pollution.
The adsorption of toluene using metal–organic frameworks (MOFs) has been considered a …

Facile Preparation of Porous Carbon Derived from Industrial Biomass Waste as an Efficient CO2 Adsorbent

C Song, W Ye, Y Liu, H Huang, H Zhang, H Lin… - ACS …, 2020 - ACS Publications
A porous carbon CO2 adsorbent based on soybean cake (industrial biomass waste) has
been successfully prepared by direct carbonation, following KOH activation. The prepared …

Molecular dynamics study of water confined in MIL-101 metal–organic frameworks

S Fei, WL Hsu, JJ Delaunay, H Daiguji - The Journal of Chemical …, 2021 - pubs.aip.org
Molecular dynamics simulations of water adsorbed in Material Institute Lavoisier MIL-101
(Cr) metal–organic frameworks are performed to analyze the kinetic properties of water …

Unveiling the Potential of Ca/Cu Composite Sorbents for CO2 Capture: A Precursor Perspective

Y Hu, X Liu, Y Li, Y Jiang, Y Ma, J Chen… - Industrial & …, 2024 - ACS Publications
The combined Ca/Cu process holds promise as a CO2 capture technique utilizing chemical
looping combustion to provide heat for regenerating CaO-based sorbents in a calcium …

Self-luminescent europium based metal organic frameworks nanorods as a novel electrochemiluminescence chromophore for sensitive ulinastatin detection in …

X Li, Y Zhao, X Hao, X Wang, F Luan, C Tian, Z Zhang… - Talanta, 2022 - Elsevier
In this work, we developed a novel electrochemiluminescence (ECL) biosensor for
ulinastatin (UTI) detection based on self-luminescent metal-organic framework (L-MOF) …

Core-in-shell, glucose-templated, ZrO2-stabilized calcium/copper-based pellets with robust CO2 capture performance for Ca/Cu process

J Chen, W Xia, H Tang, A Huang, C Huang, Y Li… - Separation and …, 2025 - Elsevier
Calcium/copper-based pellets are crucial to the advancement of the Ca/Cu process, as CuO
reduction provides the heat necessary for CaCO 3 calcination. Yet, a significant challenge …

Screening and Experimental Validation for Selection of Open Metal Sites Metal-Organic Framework (M-CPO-27, M = Co, Mg, Ni and Zn) to Capture CO2

NEF Kari, M Ismail, A Ahmad, K Kamal, TL Chew… - Separations, 2023 - mdpi.com
The release of CO2 into the atmosphere has become a primary issue nowadays. Recently,
researchers found Metal-Organic Frameworks M-CPO-27 (M= Mg, Co, Ni, and Zn) to be …

Recent advances of computational simulations on carbon capture in MOFs

Q Shuai, WL Li, C Zhao, J Yu - Materials Today Communications, 2024 - Elsevier
Carbon dioxide emissions have become a pressing global issue, commanding widespread
attention. Metal-organic frameworks (MOFs) are recognized as one of the most promising …