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author:

Qing, Dihao (Qing, Dihao.) [1] | Lu, Zhengyang (Lu, Zhengyang.) [2] | Hou, Linxi (Hou, Linxi.) [3] | Dai, Wei (Dai, Wei.) [4] | Hong, Jianquan (Hong, Jianquan.) [5] | Ge, Xin (Ge, Xin.) [6]

Indexed by:

EI SCIE

Abstract:

Understanding and predicting the physicochemical properties of mixed surfactant systems is a core challenge in colloid chemistry and industrial applications, due to their diverse types, variable ratios, and the multifaceted mixed interaction mechanisms. This work innovatively constructed a mixed surfactant dataset, breaking through the dual limitations of data scarcity and theoretical simplifications in traditional methods, and established a machine learning framework guided by quantitative structure-property relationship (QSPR). By theoretically correcting surface tension data, the XGBoost model achieved prediction accuracy with R2 of 0.9994 and MSE of 0.0676. The transfer learning strategy was combined to solve the generalization challenge across different concentrations and ratios. Multi-scale feature importance analysis revealed that concentration, ratio, and interaction parameters, as introduced descriptors, significantly affected the prediction of surface tension in the mixed system. This research provided a quantitative basis for low concentration, high efficiency formulation designed and offered an effective and cost-efficient tool for mixed surfactants in both research and industry.

Keyword:

Interaction parameters Machine learning Mixed surfactants Surface tension prediction Transfer learning

Community:

  • [ 1 ] [Qing, Dihao]Jiangnan Univ, Sch Chem & Mat Engn, Wuxi 214122, Peoples R China
  • [ 2 ] [Hong, Jianquan]Jiangnan Univ, Sch Chem & Mat Engn, Wuxi 214122, Peoples R China
  • [ 3 ] [Lu, Zhengyang]Fuzhou Univ, Sch Chem Engn, Dept Mat Oriented Chem Engn, Fuzhou 350116, Peoples R China
  • [ 4 ] [Hou, Linxi]Fuzhou Univ, Sch Chem Engn, Dept Mat Oriented Chem Engn, Fuzhou 350116, Peoples R China
  • [ 5 ] [Ge, Xin]Fuzhou Univ, Sch Chem Engn, Dept Mat Oriented Chem Engn, Fuzhou 350116, Peoples R China
  • [ 6 ] [Dai, Wei]China Univ Min & Technol, Sch Informat & Control Engn, Xuzhou 221116, Peoples R China

Reprint 's Address:

  • [Hong, Jianquan]Jiangnan Univ, Sch Chem & Mat Engn, Wuxi 214122, Peoples R China;;[Ge, Xin]Fuzhou Univ, Sch Chem Engn, Dept Mat Oriented Chem Engn, Fuzhou 350116, Peoples R China;;[Dai, Wei]China Univ Min & Technol, Sch Informat & Control Engn, Xuzhou 221116, Peoples R China

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Source :

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

ISSN: 0927-7757

Year: 2025

Volume: 727

4 . 9 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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