WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7150

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Author: search.filters.author.Dutta, AbhishekSubject: search.filters.subject.Physics-Informed Neural Network

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  • Article
    A Physics-Informed Neural Network (PINN) Approach to Over-Equilibrium Dynamics in Conservatively Perturbed Linear Equilibrium Systems
    (MDPI, 2025) Dutta, Abhishek; Mukherjee, Bitan; Hosen, Sk Aftab; Turan, Meltem; Constales, Denis; Yablonsky, Gregory
    Conservatively perturbed equilibrium (CPE) experiments yield transient concentration extrema that surpass steady-state equilibrium values. A physics-informed neural network (PINN) framework is introduced to simulate these over-equilibrium dynamics in linear chemical reaction networks without reliance on extensive time-series data. The PINN incorporates the reaction kinetics, stoichiometric invariants, and equilibrium constraints directly into its loss function, ensuring that the learned solution strictly satisfies physical conservation laws. Applied to three- and four-species reversible mechanisms (both acyclic and cyclic), the PINN surrogate matches conventional ODE integration results, reproducing the characteristic early concentration extrema (maxima or minima) in unperturbed species and the subsequent relaxation to equilibrium. It captures the timing and magnitude of these extrema with high accuracy while inherently preserving total mass. Through the physics-informed approach, the model achieves accurate results with minimal data and a compact network architecture, highlighting its parameter efficiency.
  • Article
    Citation - WoS: 2
    Citation - Scopus: 1
    A Novel Framework for Droplet/Particle Size Distribution in Suspension Polymerization Using Physics-Informed Neural Network (PINN)
    (Elsevier Science Sa, 2025) Turan, Meltem; Dutta, Abhishek
    A Machine Learning (ML) based neural network can capture the complex evolution of polymer chain distributions, accounting for factors such as initiation, propagation, and termination steps in a suspension polymerization process, by integrating stagewise molar balance model (MBM) and population balance model (PBM) with Physics-Informed Neural Network (PINN). The integrated PINN framework is proposed to efficiently solve these equations, incorporating known physical laws as constraints and minimizing errors in both the distribution and dynamics of the polymer chains. By optimizing the neural network parameters such as weight matrices and bias vector, the model reproduces the moments of the polymer molecular weight distribution in close alignment with numerical solutions, and it generates population balance solutions that exhibit excellent agreement with their analytical counterparts. Sensitivity analyses for the depth of the neural network architecture to quantify how structural choices affect model fidelity has been performed. The resulting MBM-PINN and PBM-PINN integrated framework demonstrates robustness and versatility in accurately capturing (96-97%) droplet/particle dynamics. The proposed methodology has the capability to provide a powerful tool for faster and scalable simulations of polymerization reactions, enabling better prediction of product properties which could be used for optimizing reaction conditions in industrial applications.