Screening structure and predicting toxicity of pesticide adjuvants using MD simulation and machine learning for minimizing environmental impacts DOI

Zhenping Bao,

Rui Liu,

Yanling Wu

и другие.

The Science of The Total Environment, Год журнала: 2024, Номер 942, С. 173697 - 173697

Опубликована: Июнь 6, 2024

Язык: Английский

Machine Learning for Chemical Looping: Recent Advances and Prospects DOI

Yiwen Song,

Shenglong Teng,

Diyan Fang

и другие.

Energy & Fuels, Год журнала: 2024, Номер 38(13), С. 11541 - 11561

Опубликована: Июнь 20, 2024

Chemical looping is a revolutionary energy conversion method aimed at the low-carbon transformation of fossil fuels. The development this technology primarily involves screening oxygen carriers, design reactors, and optimization process flows, typically requiring extensive experimental trials time consumption. Machine learning, with its high-precision predictive capabilities, can optimize chemical technology. This review comprehensively summarizes methods recent advances in application machine learning outlined typical involving database construction, model analysis, interpretable algorithms. Then, carrier screening, reactor design, flow through are explored. To address challenges found these research developments, potential solutions future perspectives proposed. We hope that offer inspiration for researchers field promote advancement

Язык: Английский

Процитировано

7

Artificial intelligence driven evolution of perovskite-based solar thermochemical systems for hydrogen production: a narrative review DOI

Alberto Boretti

Emergent Materials, Год журнала: 2024, Номер unknown

Опубликована: Авг. 16, 2024

Язык: Английский

Процитировано

3

A hybrid machine learning model for NOx emission concentration prediction from sludge incineration DOI
Song Luo, Lihua Wang,

Hongxian Ji

и другие.

Process Safety and Environmental Protection, Год журнала: 2025, Номер unknown, С. 106854 - 106854

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0

High-throughput screening of high-activity oxygen carriers for chemical looping argon purification via a machine learning – density functional theory method DOI Creative Commons

Shenglong Teng,

Yiwen Song,

Yu Qiu

и другие.

Sustainable Energy & Fuels, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

A new method based on machine learning and DFT calculations for screening oxygen carriers during chemical looping argon purification is proposed in this study.

Язык: Английский

Процитировано

0

Prediction of Biomass Chemical Looping Gasification Performance Using the Extra Tree Ensemble Model DOI
Kai Xu, Shoufeng Cao, Ping Zhong

и другие.

Energy & Fuels, Год журнала: 2025, Номер unknown

Опубликована: Фев. 19, 2025

Язык: Английский

Процитировано

0

Prediction of Enthalpy of Mixing of Binary Alloys Based on Machine Learning and CALPHAD Assessments DOI Creative Commons

S. Huang,

Guangyu Wang, Zhanmin Cao

и другие.

Metals, Год журнала: 2025, Номер 15(5), С. 480 - 480

Опубликована: Апрель 24, 2025

The enthalpy of mixing, a critical thermodynamic property in the liquid phase reflecting element interaction strength and pivotal for studying equilibria, can now be predicted efficiently using machine learning. This study proposes model combining learning with Calculation Phase Diagram (CALPHAD) to predict mixing. We obtained data 583 binary alloy systems from SGTE database, ensuring experimental constraints accuracy. Using pure properties Miedema’s parameters as descriptors, we trained evaluated four algorithms, finding LightGBM perform best (R2 = 92.2%, MAE 3.5 kJ/mol). performance was further optimized through Recursive Feature Elimination (REF) Maximal Information Coefficient (MIC) feature selection methods. Shapley Additive Explanations reveals that primary factors affecting mixing enthalpy, such atomic radius electronegativity, align key Miedema model, thereby confirming physical interpretability our data-driven approach. work offers an accelerated method predicting complex multi-component system thermodynamics. Future research will focus on collecting more high-quality enhance accuracy generalization.

Язык: Английский

Процитировано

0

Abnormal combustion and NOx emissions control strategies of hydrogen internal combustion engine DOI
Feng Zhou,

Chenghao Wu,

Jianqin Fu

и другие.

Renewable and Sustainable Energy Reviews, Год журнала: 2025, Номер 219, С. 115847 - 115847

Опубликована: Май 17, 2025

Язык: Английский

Процитировано

0

Screening structure and predicting toxicity of pesticide adjuvants using MD simulation and machine learning for minimizing environmental impacts DOI

Zhenping Bao,

Rui Liu,

Yanling Wu

и другие.

The Science of The Total Environment, Год журнала: 2024, Номер 942, С. 173697 - 173697

Опубликована: Июнь 6, 2024

Язык: Английский

Процитировано

2