Shear thickening fluid: A multifaceted rheological modeling integrating phenomenology and machine learning approach

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-05-01 Epub Date: 2025-02-23 DOI:10.1016/j.molliq.2025.127223
Mustafiz Husain , Rameez Ahmad Aftab , Sadaf Zaidi , S.J.A. Rizvi
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Abstract

Amorphous silica and polyethylene glycol (PEG)-based shear thickening fluid (STF) having 30 % (w/w) was synthesized. The complex viscosity pattern for PEG-silica STF examined at varying temperatures (25–50 °C) and shear rates (1–1000 1/s). It was predicted using Galindo-Rosales technique-based phenomenological model that utilizes piecewise functions to predict viscosity in different shear rate zones. Moreover, machine learning (ML) based models namely, support vector regression (SVR) and artificial neural networks (ANNs), were developed to forecast the nonlinear nature of the viscosity of STF as a function of temperature and shear rates. The phenomenological model performs well during training (R2 > 0.99) but has low prediction the for unknown test data (R2 > 0.90), i.e. it overfits the data. Additionally, for phenomenological modeling, too many parameters need to be evaluated using complex equations based on iterative calculations, whereas ML based models are more accurate, quick, and generalized for both training and testing regimes for all zones. The ML models projected outstanding match between the predicted and experimental viscosities. For every zone, the present study concludes that the ML approach, with its better generalization outcomes, is a robust technique to estimate the rheology of STF. As a result, viscosity behaviour prediction by ML could assist in designing custom fluid formulations with desired viscosity properties for specific applications in varied environmental conditions.

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剪切增稠流体:综合现象学和机器学习方法的多面流变模型
合成了30% (w/w)的非晶态二氧化硅-聚乙二醇(PEG)基剪切增稠液(STF)。在不同温度(25-50°C)和剪切速率(1 - 1000 1/s)下,研究了PEG-silica STF的复杂粘度模式。采用基于Galindo-Rosales技术的现象学模型,利用分段函数预测不同剪切速率区域的粘度。此外,还开发了基于机器学习(ML)的模型,即支持向量回归(SVR)和人工神经网络(ann),以预测STF粘度作为温度和剪切速率函数的非线性性质。现象学模型在训练过程中表现良好(R2 >;0.99),但对未知测试数据的预测值较低(R2 >;0.90),即过拟合数据。此外,对于现象学建模,需要使用基于迭代计算的复杂方程来评估太多参数,而基于ML的模型对于所有区域的训练和测试机制都更准确、快速和一般化。ML模型预测的黏度与实验黏度非常吻合。对于每个区域,本研究得出结论,ML方法具有更好的泛化结果,是一种估计STF流变的鲁棒技术。因此,ML的粘度行为预测可以帮助设计具有所需粘度特性的定制流体配方,用于不同环境条件下的特定应用。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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