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Adsorption

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Physics-Informed Neural Network for monitoring the sulfate ion adsorption process using particle filter.

Anais da Academia Brasileira de Ciencias
Fixed-bed columns are a well-established water purification technology. Several models have been constructed over the decades to scale up and predict the breakthrough curve of an adsorption column varying the flow rate, length, and initial concentrat...

Optimisation led energy-efficient arsenite and arsenate adsorption on various materials with machine learning.

Water research
The contamination of water by arsenic (As) poses a substantial environmental challenge with far-reaching influence on human health. Accurately predicting adsorption capacities of arsenite (As(III)) and arsenate (As(V)) on different materials is cruci...

Design optimization of bimetal-modified biochar for enhanced phosphate removal performance in livestock wastewater using machine learning.

Bioresource technology
Mg-modified biochar shows high adsorption performance under weakly acidic and neutral water conditions. However, its phosphate removal efficiency markedly decreases in naturally alkaline wastewater, such as that released in livestock farming (anaerob...

Cd adsorption prediction of Fe mono/composite modified biochar based on machine learning: Application for controllable preparation.

Environmental research
In this study, artificial neural network (ANN) and random forest (RF) were constructed to predict the Cd adsorption capacity of Fe-modified biochar. The RF model outperformed ANN model in accuracy and predictive performance (R = 0.98). Through the co...

Simulation, prediction and optimization for synthesis and heavy metals adsorption of schwertmannite by machine learning.

Environmental research
Due to its sea urchin-like structure, Schwertmannite is commonly applied for heavy metals (HMs) pollutant adsorption. The adsorption influence parameters of Schwertmannite are numerous, the traditional experimental enumeration is powerless. In recent...

Efficient and stable extraction of nano-sized plastic particles enabled by bio-inspired magnetic "robots" in water.

Environmental pollution (Barking, Essex : 1987)
In this research, a rationally-designed strategy was employed to address the crucial issue of removing nano-plastics (NPs) from aquatic environments, which was based on fabricating sea urchin-like structures of FeO magnetic robots (MagRobots). Throug...

MGT: Machine Learning Accelerates Performance Prediction of Alloy Catalytic Materials.

Journal of chemical information and modeling
The application of deep learning technology in the field of materials science provides a new method for predicting the adsorption energy of high-performance alloy catalysts in hydrogen evolution reactions and material discovery. The activity and sele...

Predicting the adsorption of ammonia nitrogen by biochar in water bodies using machine learning strategies: Model optimization and analysis of key characteristic variables.

Environmental research
Biochar adsorption technology has been widely used to remove ammonia nitrogen from water bodies. However, existing methods for predicting adsorption efficiency often lack sufficient accuracy and practical usability. This study evaluated eight machine...

Accelerated Screening of Highly Sensitive Gas Sensor Materials for Greenhouse Gases Based on DFT and Machine Learning Methods.

ACS sensors
Greenhouse gases (GHGs) have caused great harm to the ecological environment, so it is necessary to screen gas sensor materials for detecting GHGs. In this study, we propose an ideal gas sensor design strategy with high screening efficiency and low c...

Deep eutectic solvent-modified polyvinyl alcohol/chitosan thin film membrane for dye adsorption: Machine learning modeling, experimental, and density functional theory calculations.

International journal of biological macromolecules
The polyvinyl alcohol/chitosan (PVA/CS) thin film membrane was modified using a deep eutectic solvent (DES) to enhance its adsorption capability and mechanical strength for the removal of brilliant green (BG) dye. Batch adsorption experiments, machin...