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 …

Yield prediction and optimization of biomass-based products by multi-machine learning schemes: neural, regression and function-based techniques

M Rahimi, H Mashhadimoslem, HV Thanh, B Ranjbar… - Energy, 2023 - Elsevier
Pyrolysis, as a thermochemical conversion of biomass, is a superior biofuel production
procedure. The determining procedure for the optimal operational parameters, biomass …

Machine learning implemented exploration of the adsorption mechanism of carbon dioxide onto porous carbons

S Namdeo, VC Srivastava, P Mohanty - Journal of Colloid and Interface …, 2023 - Elsevier
Adsorption of CO 2 on porous carbons has been identified as one of the promising methods
for carbon capture, which is essential for meeting the sustainable developmental goal (SDG) …

Hydrogen storage on porous carbon adsorbents: rediscovery by nature-derived algorithms in random forest machine learning model

HV Thanh, S Ebrahimnia Taremsari, B Ranjbar… - Energies, 2023 - mdpi.com
Porous carbons as solid adsorbent materials possess effective porosity characteristics that
are the most important factors for gas storage. The chemical activating routes facilitate …

Dual cross-linked magnetic gelatin/carboxymethyl cellulose cryogels for enhanced Congo red adsorption: Experimental studies and machine learning modelling

C Cui, W Qiao, D Li, L Wang - Journal of Colloid and Interface Science, 2025 - Elsevier
To achieve highly efficient and environmentally degradable adsorbents for Congo red (CR)
removal, we synthesized a dual-network nanocomposite cryogel composed of …

[HTML][HTML] Exploring the effect of zeolite's structural parameters on the CO2 capture efficiency using RSM and ANN methodologies

F Bahmanzadegan, A Ghaemi - Case Studies in Chemical and …, 2024 - Elsevier
Kaolin-based zeolites have high adsorption capacity due to their combination of
mesoporous and microporous structures. In this research, artificial neural networks (ANN) …

Modeling of carbon dioxide absorption into aqueous alkanolamines using machine learning and response surface methodology

H Masoumi, A Imani, A Aslani, A Ghaemi - Scientific Reports, 2024 - nature.com
This research focuses on modeling CO2 absorption into alkanolamine solvents using
multilayer perceptron (MLP), radial basis function network (RBF), Support Vector Machine …

Application of machine learning for material prediction and design in the environmental remediation

Y Zheng, S Sun, J Liu, Q Zhao, H Zhang, J Zhang… - Chinese Chemical …, 2024 - Elsevier
To develop more efficient catalysts and discover new materials to work towards efficient
solutions to the growing environmental problems, machine learning (ML) offers viable new …

Explainable machine learning for carbon dioxide adsorption on porous carbon

C **e, Y **e, C Zhang, H Dong, L Zhang - Journal of Environmental …, 2023 - Elsevier
The ever-increasing carbon emission requires the development of advanced carbon capture
and storage technology. As one of the most promising approaches, the adsorption of CO 2 …

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 …