Physics-informed machine learning for cross-study prediction of oil–water membrane fouling

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Authors: Carine Lourenço Alves, Silvio Edegar Weschenfelder, Maria Alice Prado Cechinel, Mariane Carolina Proner, Regina Fátima, Peralta Muniz Moreira, Alan Ambrosi, Marco Di Luccio, Sergio Yesid Gómez González
Cited by: 1
References: 81

Abstract

Performance decay driven by coupled transport, accumulation, and removal processes remains a central challenge in many chemical engineering systems. Membrane fouling in oil–water separation is examined here as a representative case. While numerical and empirical models can capture specific cases, their predictive performance across independent studies remains limited. In this work, we combine a reduced-order finite-element model of transport and fouling resistance with a data-driven framework that maps experimental metadata to flux-decline behavior across 112 datasets involving various membranes, oils, and operating conditions. The reduced representation reproduces flux–time trajectories with high fidelity (average R 2 ≈ 0.95). Mapping experimental metadata to curve descriptors enables stage-resolved prediction of normalized flux, yielding mean absolute errors of 0.08–0.14 under grouped cross-validation. External validation using publication-level holdouts shows that differences between studies, rather than model capacity, limit predictive performance, highlighting the need for data standardization. The analysis indicates links between crossflow and pressure and early-stage fouling, while porosity and permeance relate to steady-state flux. Based on these results, we propose a minimal checklist of parameters needed for reproducible fouling models. The results quantify the impact of metadata completeness on model transferability and provide a reproducible framework for cross-study analysis of time-dependent membrane performance.

Fields of Study & Subjects

Membrane Separation Technologies Machine Learning in Materials Science Block Copolymer Self-Assembly

Publication details

Journal / source
Scientific Reports
Publisher
Springer Science and Business Media LLC
Volume
16
Issue
1
Publication date
28 May 2026
Language
EN