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Adsorption

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Machine learning-based exploration of biochar for environmental management and remediation.

Journal of environmental management
Biochar has a wide range of applications, including environmental management, such as preventing soil and water pollution, removing heavy metals from water sources, and reducing air pollution. However, there are several challenges associated with the...

Machine-Learning-Aided Understanding of Protein Adsorption on Zwitterionic Polymer Brushes.

ACS applied materials & interfaces
Constructing antifouling surfaces is a crucial technique for optimizing the performance of devices such as water treatment membranes and medical devices in practical environments. These surfaces are achieved by modification with hydrophilic polymers....

Coupling machine learning and theoretical models to compare key properties of biochar in adsorption kinetics rate and maximum adsorption capacity for emerging contaminants.

Bioresource technology
Insights into key properties of biochar with a fast adsorption rate and high adsorption capacity are urgent to design biochar as an adsorbent in pollution emergency treatment. Machine learning (ML) incorporating classical theoretical adsorption model...

Sorption Behavior of Azo Dye Congo Red onto Activated Biochar from Waste: Gradient Boosting Machine Learning-Assisted Bayesian Optimization for Improved Adsorption Process.

International journal of molecular sciences
This work aimed to describe the adsorption behavior of Congo red (CR) onto activated biochar material prepared from waste (). The carbon precursor was soaked with phosphoric acid, followed by pyrolysis to convert the precursor into activated biochar...

General Model for Predicting Response of Gas-Sensitive Materials to Target Gas Based on Machine Learning.

ACS sensors
Gas sensors play a crucial role in various industries and applications. In recent years, there has been an increasing demand for gas sensors in society. However, the current method for screening gas-sensitive materials is time-, energy-, and cost-con...

Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning.

Journal of chemical information and modeling
Adsorption free energies of 32 small biomolecules (amino acids side chains, fragments of lipids, and sugar molecules) on 33 different nanomaterials, computed by the molecular dynamics - metadynamics methodology, have been analyzed using statistical m...

Predictive modeling of copper (II) adsorption from aqueous solutions by sawdust: a comparative analysis of adaptive neuro-fuzzy interference system (ANFIS) and artificial neural network (ANN) approaches.

Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering
Heavy metal ions are considered to be the most prevalent and toxic water contaminants. The objective of thois work was to investigate the effectiveness of employing the adsorption technique in a laboratory-size reactor to remove copper (II) ions from...

Applications of artificial intelligence (AI) in drinking water treatment processes: Possibilities.

Chemosphere
In water treatment processes (WTPs), artificial intelligence (AI) based techniques, particularly machine learning (ML) models have been increasingly applied in decision-making activities, process control and optimization, and cost management. At leas...

Prediction of Cr(VI) and As(V) adsorption on goethite using hybrid surface complexation-machine learning model.

Water research
This study aimed to develop surface complexation modeling-machine learning (SCM-ML) hybrid model for chromate and arsenate adsorption on goethite. The feasibility of two SCM-ML hybrid modeling approaches was investigated. Firstly, we attempted to uti...

Amino-functionalized novel biosorbent for effective removal of fluoride from water: process optimization using artificial neural network and mechanistic insights.

Environmental science and pollution research international
Aqueous fluoride ( ) pollution is a global threat to potable water security. The present research envisions the development of novel adsorbents from indigenous Limonia acidissima L. (fruit pericarp) for effective aqueous defluoridation. The adsorben...