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 …

Recent progress on advanced solid adsorbents for CO2 capture: from mechanism to machine learning

MS Khosrowshahi, AA Aghajari, M Rahimi… - Materials Today …, 2024 - Elsevier
Environmental pollution has become a serious issue due to the rapid development of
urbanization, industrialization, and vehicle traffic. Notably, fossil fuel combustion significantly …

Recent Advances in Functionalized Biomass‐Derived Porous Carbons and their Composites for Hybrid Ion Capacitors

NS George, G Singh, R Bahadur, P Kumar… - Advanced …, 2024 - Wiley Online Library
Hybrid ion capacitors (HICs) have aroused extreme interest due to their combined
characteristics of energy and power densities. The performance of HICs lies hidden in the …

Leveraging porosity and morphology in hierarchically porous carbon microtubes for CO2 capture and separation from humid flue gases

L Wang, Y Ma, H Liu, Y Guo, B Yang… - Separation and Purification …, 2025 - Elsevier
Leveraging porosity, surface chemistry and morphology of porous carbons play a critical role
in CO 2 capture performance. However, the effective and sustainable synthesis of porous …

Mild modification of sponge-like carbon: Ammonia post-treatment for enhanced CO2 adsorption and suitability for supercapacitors

C Wu, J Liu, W Wu, Y Wang, Y Zhao, G Li… - Separation and …, 2025 - Elsevier
During the synthesis of carbon-based CO 2 adsorbents and supercapacitors, the
introduction of nitrogen atoms into the carbon matrix has been identified as a means to …

A comprehensive review of enhanced CO 2 capture using activated carbon derived from biomass feedstock

S Kundu, T Khandaker, MAAM Anik, MK Hasan… - RSC …, 2024 - pubs.rsc.org
The increasing level of atmospheric CO2 requires the urgent development of effective
capture technologies. This comprehensive review thoroughly examines various methods for …

Multicomponent adsorption mechanism of CO2, SO2, NO, and C7H8 from flue gases on nitrogen-doped biochar: Experimental and computational insights

J Zhang, J Shao, X Zhang, W Cheng, H Yang… - Chemical Engineering …, 2024 - Elsevier
The comprehensive control of CO 2 and gaseous pollutants in coal-fired flue gas is urgent
and difficult. As a green low-cost adsorbent, nitrogen-doped biochar has potential …

Efficient CO2 removal enabled by N, S co-doped hierarchical porous carbon derived from sustainable lignin

Y Bai, Y Li, M Li, X Lin, C Cai, H He, S Liu - Industrial Crops and Products, 2024 - Elsevier
Biomass-derived heteroatoms-doped hierarchical porous carbon materials are highly
regarded as promising CO 2 adsorbents. However, these materials cannot simultaneously …

Porous carbon pellets for physical adsorption of CO 2: size and shape effect

B Singh, M Kemell, T Repo - Materials Advances, 2024 - pubs.rsc.org
The continuous rise in atmospheric CO2 level is a major concern, demanding the
development of low-cost, scalable porous sorbents with improved efficiency and …

Development of the CO2 Adsorption Model on Porous Adsorbent Materials Using Machine Learning Algorithms

H Mashhadimoslem, MA Abdol… - ACS Applied Energy …, 2024 - ACS Publications
Porous adsorbents have common characteristics, such as high porosity and a large specific
surface area. These characteristics, attributed to the internal structure of the material …