Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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Author: search.filters.author.Dutta, AbhishekHas files: No

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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
    Fractionation of Guaiacyl and Syringyl-Lignin Units Using Organic Solvent Nanofiltration
    (Elsevier, 2026) Croes, Tim; Dutta, Abhishek; Van Aelst, Korneel; Sels, Bert; Van der Bruggen, Bart; Cornet, Iris
    A major obstacle to employing the full potential of lignin-based aromatics is the fractionation of the monomers present in lignin, specifically the separation of guaiacyl (G) and syringyl (S) units, which possess nearly identical molecular weights (196 Da versus 166 Da) and dimensions, and identical functional groups. Such similarities make their separation highly challenging using conventional techniques and are generally considered beyond the capabilities of size-based membrane processes. This study examines the feasibility of organic solvent nano-filtration for fractionation of guaiacyl and syringyl units, and how membrane and process parameters affect separation of these two molecules. Sixteen commercially available membranes were tested with methanol and ethyl acetate as solvents. The results demonstrate that, despite the extreme similarity of the solutes, selective separation is achievable and is primarily governed by membrane material and solvent selection rather than the pore size-based molecular weight cut-off. Polyimide-based solvent-resistant membranes exhibited the highest selectivity, with a maximum observed separation factor of 3.33 obtained using a DuraMemTM 500 membrane in methanol. These findings demonstrate the potential of nanofiltration to address previously unresolved separation challenges in lignin valorization and provide a basis for further process development.