Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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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, GregoryConservatively 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: 4Citation - Scopus: 5Numerical Study of Fluid Flow and Mixing in the Argon Oxygen Decarburization (aod) Process(Iron and Steel Institute of Japan, 2023) Cheng, Zhongfu; Wang, Yannan; Dutta, Abhishek; Blanpain, Bart; Guo, Muxing; Malfliet, AnneliesA three-dimensional (3D) model has been developed based on the Eulerian multiphase flow approach to investigate the fluid flow behavior and mixing efficiency in the multi-tuyere AOD process. The interphase forces, including drag force, lift force, virtual force, turbulent dispersion force, and wall lubrication force, were incorporated into this model. The model was used to simulate six-tuyere and seven-tuyere AOD processes. The phenomena of multi-jet penetration, bubble plume merging, 3D turbulent flow and mixing characteristics were considered. The results indicate that the bubble plume merging occurs in the upper part of the liquid bath, forming a typical plume cluster. The predicted penetration length for a single tuyere jet agrees well with the previous work. For the multi-jet system, the side jets penetrate deeper than the inside ones. The six-tuyere AOD has a good flow condition in the center of the liquid bath, while the seven-tuyere AOD has a better flow pattern in the sidewall region and the lower bath. Overall, the seven-tuyere AOD performs better in mixing efficiency than the six-tuyere AOD under the same gas flow rate. These findings increase the understanding of the AOD process, allowing further optimization of process parameters. This model can be further extended to incorporate the thermochemical reactions into the modeling of the AOD reactor.Article Citation - WoS: 6Citation - Scopus: 6Mathematical Modelling of the Liquid/Liquid Mass Transfer Behaviour in Gas Stirred Ladles(Taylor & Francis, 2022) Zhang, Han; Conejo, Alberto N.; Dutta, Abhishek; Ramírez-Argáez, Marco A.; Yan, HanA three-dimensional numerical model consistent with physical simulations (water/oil/thymol) has been developed to explore the mass transfer behaviour of sulphur. Euler-Lagrangian and Euler-Euler, were applied to simulate the multiphase flow; compared with experimental data, the Euler-Euler method was more accurate. The small eddy model was used for mass transfer calculations. As a new type of bottom stirring scheme, the effect of central-eccentric parallel injection on mass transfer was investigated. Moving the eccentric nozzle towards the sidewall or increasing the number of eccentric nozzles decreases the mass transfer rate at a constant total gas flow rate. The mass transfer rate increases with increasing central gas flow rate under the differential flow bottom stirring scheme. The single-nozzle central injection is still considered the most superior bottom-blowing scheme. The bubble diameter has an insignificant effect on the liquid–liquid mass transfer. The mass transfer rate of thymol is weakly accelerated with increasing bubble diameter.Article Citation - WoS: 5Citation - Scopus: 5Flat sheet metakaolin ceramic membrane for water desalination via direct contact membrane distillation(IWA Publishing, 2022) Zewdie, Tsegahun Mekonnen; Habtu, Nigus Gabbiye; Dutta, Abhishek; Van der Bruggen, BartHydrophobic metakaolin-based flat sheet membrane was developed via phase inversion and sintering technique and modified through 1H,1H,2H,2H-perfluorooctyltriethoxysilane grafting agents. The prepared membrane was characterized by different techniques such as XRD, FTIR, SEM, contact angle, porosity, and mechanical strength. Their results indicated that the wettability, structural, and mechanical properties of the prepared membrane confirm the suitability of the material for membrane distillation (MD) application. The prepared metakaolin-based flat sheet membrane acquired hydrophobic properties after surface modification with the water contact angle values of 113.2° to 143.3°. Afterward, the membrane performance was tested for different sodium chloride aqueous solutions (synthetic seawater) and various operating parameters (feed temperature, feed flow rate) using direct contact membrane distillation (DCMD). Based on the findings, the prepared membrane at metakaolin loading of 45 wt.% and sintered at 1,300 °C was achieved the best performance with >95% salt rejection and permeate flux of 6.58 + 0.3 L/m2 · h at feed temperature of 80 °C, feed concentration of 35 g/L, and feed flow rate of 60 L/h. It can be con-cluded that further optimization of membrane porosity, mechanical, and surface properties is required to maximize the permeate flux and salt rejection.Article Citation - WoS: 11Citation - Scopus: 12Numerical Modelling Assisted Design of a Compact Ultrafiltration (uf) Flat Sheet Membrane Module(MDPI, 2021) Bopape, Mokgadi F.; Van Geel, Tim; Dutta, Abhishek; Van der Bruggen, Bart; Onyango, Maurice StephenThe increasing adoption of ultra-low pressure (ULP) membrane systems for drinking water treatment in small rural communities is currently hindered by a limited number of studies on module design. Detailed knowledge on both intrinsic membrane transport properties and fluid hydrodynamics within the module is essential in understanding ULP performance prediction, mass transfer analysis for scaling-up between lab-scale and industrial scale research. In comparison to hollow fiber membranes, flat sheet membranes present certain advantages such as simple manufacture, sheet replacement for cleaning, moderate packing density and low to moderate energy usage. In the present case study, a numerical model using computational fluid dynamics (CFD) of a novel custom flat sheet membrane module has been designed in 3D to predict fluid flow conditions. The permeate flux through the membrane decreased with an increase in spacer curviness from 2.81 L/m(2)h for no (0%) curviness to 2.73 L/m(2)h for full (100%) curviness. A parametric analysis on configuration variables was carried out to determine the optimum design variables and no significant influence of spacer inflow or outflow thickness on the fluid flow were observed. The numerical model provides the necessary information on the role of geometrical and operating parameters for fabricating a module prototype where access to technical expertise is limited.