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 …
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
Environmental pollution has become a serious issue due to the rapid development of
urbanization, industrialization, and vehicle traffic. Notably, fossil fuel combustion significantly …
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
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 …
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 …
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 …
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
The increasing level of atmospheric CO2 requires the urgent development of effective
capture technologies. This comprehensive review thoroughly examines various methods for …
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 …
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
Biomass-derived heteroatoms-doped hierarchical porous carbon materials are highly
regarded as promising CO 2 adsorbents. However, these materials cannot simultaneously …
regarded as promising CO 2 adsorbents. However, these materials cannot simultaneously …
Porous carbon pellets for physical adsorption of CO 2: size and shape effect
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 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 …
surface area. These characteristics, attributed to the internal structure of the material …