AIMC Topic: Adsorption

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

Bioresource technology May 25, 2023
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 (...
Artificial Intelligence Adsorption Metals, Heavy Algorithms Machine Learning
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Constructing porous ZnFC-PA/PSF composite spheres for highly efficient Cs removal.

Journal of environmental sciences (China) May 20, 2023
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...
Polymers Water Purification Wastewater Zinc Adsorption Waste Disposal, Fluid Porosity Cesium Sulfones Water Pollutants, Chemical
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Optimization of the Mixed Gas Detection Method Based on Neural Network Algorithm.

ACS sensors Jan 26, 2023
Real-time mixed gas detection has attracted significant interest for being a key factor for applications of the electronic nose (E-nose). However, mixed gas detection still faces the challenge of long detection time and a large amount of training dat...
Electronic Nose Gases Neural Networks, Computer Adsorption Algorithms
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Prediction of fluid oil and gas volumes of shales with a deep learning model and its application to the Bakken and Marcellus shales.

Scientific reports Dec 2, 2022
The fluid oil and gas volumes (S1) retained within the shales are one of the most important parameter of producible fluid oil and gas saturations of shales together with total organic carbon content. The S1 volumes can directly be obtained by Rock-Ev...
Deep Learning Adsorption Neurons Household Articles Minerals
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Universal machine-learning algorithm for predicting adsorption performance of organic molecules based on limited data set: Importance of feature description.

The Science of the total environment Nov 17, 2022
Adsorption of organic molecules from aqueous solution offers a simple and effective method for their removal. Recently, there have been several attempts to apply machine learning (ML) for this problem. To this end, polyparameter linear free energy re...
Algorithms Water Machine Learning Carbon Adsorption
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Interpretable Deep Learning Model for Analyzing the Relationship between the Electronic Structure and Chemisorption Property.

The journal of physical chemistry letters Sep 9, 2022
The use of machine learning (ML) is exploding in materials science as a result of its high predictive performance of material properties. Tremendous trainable parameters are required to build an outperforming predictive model, which makes it impossib...
Electronics Deep Learning Adsorption Machine Learning Humans
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Adsorbate-adsorbent potential energy function from second virial coefficient data: a non-linear Hopfield Neural Network approach.

Journal of molecular modeling Sep 2, 2022
The Hopfield Neural Network has been successfully applied to solve ill-posed inverse problems in different fields of chemistry and physics. In this work, the non-linear approach for this method will be applied to retrieve the empirical parameters of ...
Adsorption Neural Networks, Computer
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Machine learning analysis and prediction of N, NO, and O adsorption on activated carbon and carbon molecular sieve.

Environmental science and pollution research international Aug 13, 2022
This research focuses on predicting the adsorbed amount of N, O, and NO on carbon molecular sieve and activated carbon using the artificial neural network (ANN) approach. Experimental isotherm data (data set 1242) on adsorbent type, gas type, tempera...
Bayes Theorem Adsorption Charcoal Neural Networks, Computer Algorithms
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Optimization of Dechlorination Experiment Design Using Lightweight Deep Learning Model.

Computational intelligence and neuroscience Jun 25, 2022
This exploration intends to remove chloride ions in production and life, enhance buildings' durability, and protect the natural environment from pollution. The current dechlorination technology is discussed based on the relevant theories, such as the...
Coal Ash Chlorides Adsorption Deep Learning Powders
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A new active learning approach for adsorbate-substrate structural elucidation in silico.

Journal of molecular modeling Jun 3, 2022
Adsorbate interactions with substrates (e.g. surfaces and nanoparticles) are fundamental for several technologies, such as functional materials, supramolecular chemistry, and solvent interactions. However, modeling these kinds of systems in silico, s...
Artificial Intelligence Software Machine Learning Adsorption Neural Networks, Computer
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