Dual-Stage Stacking Machine Learning Method Considering Virtual Sample Generation for the Prediction of ZIF-8′ BET Specific Surface Area with Experimental Validation DOI Creative Commons

Fengfei Chen,

Hongguang Zhou, Xiaohui Yu

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Янв. 17, 2025

The widespread application of metal-organic frameworks (MOFs) in wastewater and gas treatment has created an increasing demand for accurate rapid assessment their BET specific surface area. However, experimental methods acquiring sufficient statistical data are often costly time-consuming. Therefore, this study proposes a dual-stage stacking model with Gaussian mixture model-virtual sample generation (GMM-VSG) technology the area prediction. In study, 90 real samples were selected from MOF database 300 virtual generated. performance on both was evaluated by using four machine learning models, including Bayesian regression (Bayes), adaptive boosting (AdaBoost), random forest (RF), extreme gradient (XGBoost). Subsequently, three best-performing models linear constructing two-stage model, R2 value 0.974. Finally, conditions adjusted based feature importance analysis during validation process, result shows that prediction accuracy is 0.943. This contributes to development more efficient evaluation methods.

Язык: Английский

Ultrasonic controllable synthesis of sulfur-functionalized metal–organic frameworks (S-MOFs) and their application in piezo-photocatalytic rapid reduction of hexavalent chromium (Cr) DOI Creative Commons
Zhiwei Liu, Jingjing Wang, Shanghai Dong

и другие.

Ultrasonics Sonochemistry, Год журнала: 2024, Номер 107, С. 106912 - 106912

Опубликована: Май 17, 2024

The United Nations' Sustainable Development Goals (SDGs) are significant in guiding modern scientific research. In recent years, scholars have paid much attention to MOFs materials as green materials. However, piezo catalysis of has not been widely studied. Piezoelectric can convert mechanical energy into electrical energy, while effective photocatalysts for removing pollutants. Therefore, it is crucial design with piezoelectric properties and photosensitivity. this study, sulfur-functionalized metal-organic frameworks (S-MOFs) were prepared using organic ligand (H

Язык: Английский

Процитировано

8

Hydrogen evolution reaction catalyzed by Co-based metal-organic frameworks and their derivatives DOI Creative Commons
Natalia Łukasik, Daria Roda, Maria Alaide de Oliveira

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 92, С. 90 - 101

Опубликована: Окт. 23, 2024

Язык: Английский

Процитировано

8

Synergistic bimetallic nanozymes of Ni/ZIF-8 and Cu/ZIF-8 as carbonic anhydrase mimics DOI
Yong Xiang, Daoyong Yu, Hong Yu Zhang

и другие.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер 689, С. 133711 - 133711

Опубликована: Март 13, 2024

Язык: Английский

Процитировано

7

Nanospace Engineering for C8 Aromatic Isomer Separation DOI
Neng‐Xiu Zhu,

Jiayi Wu,

Dan Zhao

и другие.

ACS Nano, Год журнала: 2025, Номер unknown

Опубликована: Янв. 6, 2025

C8 aromatic isomers, namely para-xylene (PX), meta-xylene (MX), ortho-xylene (OX), and ethylbenzene (EB), are essential industrial chemicals with a wide range of applications. The effective separation these isomers is crucial across various sectors, including petrochemicals, pharmaceuticals, polymer manufacturing. Traditional methods, such as distillation solvent extraction, energy-intensive. In contrast, selective adsorption has emerged an efficient technique for separating in which nanospace engineering offers promising strategies to address existing challenges by precisely tailoring the structures properties porous materials at nanoscale. This review explores application modifying pore characteristics diverse materials─including zeolites, metal-organic frameworks (MOFs), covalent organic (COFs), other substances─to enhance their performance isomer separation. Additionally, this provides comprehensive summary how different techniques, temperature fluctuations, enthalpy/entropy considerations, desorption processes influence efficiency. It also presents forward-looking perspective on remaining potential opportunities advancing

Язык: Английский

Процитировано

1

Dual-Stage Stacking Machine Learning Method Considering Virtual Sample Generation for the Prediction of ZIF-8′ BET Specific Surface Area with Experimental Validation DOI Creative Commons

Fengfei Chen,

Hongguang Zhou, Xiaohui Yu

и другие.

Langmuir, Год журнала: 2025, Номер unknown

Опубликована: Янв. 17, 2025

The widespread application of metal-organic frameworks (MOFs) in wastewater and gas treatment has created an increasing demand for accurate rapid assessment their BET specific surface area. However, experimental methods acquiring sufficient statistical data are often costly time-consuming. Therefore, this study proposes a dual-stage stacking model with Gaussian mixture model-virtual sample generation (GMM-VSG) technology the area prediction. In study, 90 real samples were selected from MOF database 300 virtual generated. performance on both was evaluated by using four machine learning models, including Bayesian regression (Bayes), adaptive boosting (AdaBoost), random forest (RF), extreme gradient (XGBoost). Subsequently, three best-performing models linear constructing two-stage model, R2 value 0.974. Finally, conditions adjusted based feature importance analysis during validation process, result shows that prediction accuracy is 0.943. This contributes to development more efficient evaluation methods.

Язык: Английский

Процитировано

1