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Adsorption

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Machine learning and statistical physics modeling of tetracycline adsorption using activated carbon derived from Cynometra ramiflora fruit biomass.

Environmental research
The current investigation reports the usage of adaptive neuro-fuzzy inference system (ANFIS) and artificial neural network (ANN), the two recognized machine learning techniques in modelling tetracycline (TC) adsorption onto Cynometra ramiflora fruit ...

Application of machine learning in prediction of Pb adsorption of biochar prepared by tube furnace and fluidized bed.

Environmental science and pollution research international
Data mining by machine learning (ML) has recently come into application in heavy metals purification from wastewater, especially in exploring lead removal by biochar that prepared using tube furnace (TF-C) and fluidized bed (FB-C) pyrolysis methods. ...

Invariant Molecular Representations for Heterogeneous Catalysis.

Journal of chemical information and modeling
Catalyst screening is a critical step in the discovery and development of heterogeneous catalysts, which are vital for a wide range of chemical processes. In recent years, computational catalyst screening, primarily through density functional theory ...

The adsorption and release mechanism of different aged microplastics toward Hg(II) via batch experiment and the deep learning method.

Chemosphere
Aged microplastics are ubiquitous in the aquatic environment, which inevitably accumulate metals, and then alter their migration. Whereas, the synergistic behavior and effect of microplastics and Hg(II) were rarely reported. In this context, the adso...

Chitosan-based magnetic bioadsorbent beads from eucalyptus sawdust waste for the Direct Violet-51 dye remediation: Eco-friendly strategy and statistical optimization.

International journal of biological macromolecules
In the present study, a new application was proposed for the eucalyptus sawdust waste, which is an environmental passive. Three adsorbent materials composed of chitosan (CS), sawdust (CSW), and magnetic beads (CSWF) were developed and used for the Di...

Transformer-based deep learning models for adsorption capacity prediction of heavy metal ions toward biochar-based adsorbents.

Journal of hazardous materials
Biochar adsorbents synthesized from food and agricultural wastes are commonly applied to eliminate heavy metal (HM) ions from wastewater. However, biochar's diverse characteristics and varied experimental conditions make the accurate estimation of th...

Data-Driven Prediction of Configurational Stability of Molecule-Adsorbed Heterogeneous Catalysts.

Journal of chemical information and modeling
The design of new heterogeneous catalysts that convert small molecules into valuable chemicals is a key challenge for constructing sustainable energy systems. Density functional theory (DFT)-based design frameworks based on the understanding of molec...

Evaluation of reproducible cryogel preparation based on automated image analysis using deep learning.

Journal of biomedical materials research. Part A
Cryogels represent a class of porous sponge-like materials possessing unique properties including high-fidelity reproduction of tissue structure and maximized permeability. Their architecture is mainly based on an interconnected network of macropores...

Prediction of heavy metals adsorption by hydrochars and identification of critical factors using machine learning algorithms.

Bioresource technology
Hydrochar has become a popular product for immobilizing heavy metals in water bodies. However, the relationships between the preparation conditions, hydrochar properties, adsorption conditions, heavy metal types, and the maximum adsorption capacity (...

Constructing porous ZnFC-PA/PSF composite spheres for highly efficient Cs removal.

Journal of environmental sciences (China)
Radioisotope leaking from nuclear waste has become an intractable problem due to its gamma radiation and strong water solubility. In this work, a novel porous ZnFC-PA/PSF composite sphere was fabricated by immobilization of ferrocyanides modified zin...