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    International Journal of Chemical Reactor Engineering

    International Journal of Chemical Reactor Engineering

    JournalISSN 2194-5748eISSN 1542-6580中科院 工程技术 4区

    年发文量

    研究主题

    论文(2384)

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    1CFD Investigation of Hydrodynamics and Mixing Performance in an Anaerobic Reactor: Effects of Impeller Configuration, Feeding Position, and Fluid Rheology
    Kunpeng Chai, Fuwei Lu,Qiang Yue,Guizhuan Xu,Huanyu Wang

    Abstract Mixing efficiency is critical for mass and heat transfer, microbial activity, and process stability in anaerobic reactors. In this study, a three-dimensional CFD model was developed to investigate the coupled effects of impeller configuration, rotational speed, feeding position, and fluid viscosity on hydrodynamics and mixing performance in an anaerobic reactor. The results showed that increasing rotational speed enhanced momentum transfer from the impeller to the bulk fluid, producing a more uniform velocity field and a larger effective mixing region. Tracer simulations indicated that feeding position strongly influenced mixing performance because the initial tracer pathway depended on its hydrodynamic connectivity with the impeller-driven circulation loop. In addition, higher viscosity increased flow resistance, weakened bulk circulation, and prolonged mixing time. Overall, mixing behavior was governed by the combined effects of impeller design, operating conditions, feeding location, and fluid rheology. Quantitative comparison further showed that mixing performance was not determined by local velocity magnitude alone, but by the coordinated distribution of radial and axial transport within the reactor. These findings provide mechanistic insight into flow–mixing interactions and offer guidance for reactor design, feeding position optimization, and energy-efficient operation of anaerobic digestion systems.

    2026
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    2Kinetic Parameter Estimation and Numerical Implementation Comparison for Resin-Catalyzed Esterification
    Caio de Paiva e Silva,William Mendes Godoy, Alexandre Rodrigues Tôrres,Leandro Gonçalves de Aguiar

    Abstract The esterification reaction is essential for producing esters widely used in chemical, pharmaceutical, and biofuel applications. This study develops and evaluates a computational methodology for modeling heterogeneous esterification kinetics in an isothermal batch reactor, implemented independently in Scilab, Python, and R. The kinetic formulation was based on a simplified Eley–Rideal-type approach, considering a reversible reaction and water inhibition through an adsorption term. The resulting system of ordinary differential equations was used to estimate the apparent kinetic coefficient ( k d ), water adsorption constant ( K W ), and equilibrium constant ( K eq ) from 20 experimental reaction profiles obtained from independent literature studies. Parameter estimation was performed using nonlinear estimation procedures, while the ODE systems were solved using LSODA in R and Scilab and adaptive RK45 in Python. The calculated profiles reproduced the experimental data with average coefficients of determination of 0.9908 ± 0.00399 for Scilab, 0.9905 ± 0.00399 for Python, and 0.9851 ± 0.00960 for R, indicating high consistency among the three computational approaches. Differences in estimated parameters were mainly attributed to the distinct parameter-estimation and numerical-integration procedures adopted in each implementation. Independently calculated equilibrium constants agreed well with the values incorporated into the kinetic formulation, supporting the proposed simplification. Temperature dependence was consistent with the Arrhenius relationship, while confidence ellipse analysis indicated correlation between the forward and reverse reaction parameters. Overall, the proposed methodology provides a reproducible framework for kinetic parameter estimation and simulation of heterogeneous esterification systems across different computational environments.

    2026
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    3Phytochemical Analysis of Biosynthesized ZnO/CuO Nanocomposites Using Hibiscus Flower Extract: Unveiling of the Antioxidant Activity, Microstructural Morphology, Structural, and Optical Properties
    Narimann Neamah Hussein,Kahtan A. Mohammed, Saba Abd Al-Mutleb Hamood,Shubham Sharma,Shashi Prakash Dwivedi, Sivarao Subramonian, Aseel Smerat

    Hibiscus extract's active phenolic components were identified through a chemical assessment utilizing "high-performance liquid chromatography (HPLC)". The analysis demonstrated that there were seven primary phenol compounds in varying concentrations. The highest concentration was found in rutin (145.6 ppm), while the lowest was found in chlorogenic. By utilizing the antioxidant activity was measured using the "2,2-diphenyl-1-picrylhydrazyl (DPPH)" assay; the extract showed more antioxidant activity than vitamin C. Antioxidant capability and concentration are directly correlated has been established by the results, which showed that the extract's capacity decreases hydrogen peroxide concentration. Hibiscus extract was used to create a hybrid nanocomposite (ZnO/CuO) that demonstrated promising results in enhancing the bioactivity of phenolic chemicals. The DPPH assay additionally served in evaluating the nanocomposite extracts' antioxidant capacities, and the findings indicate that they were significantly more effective than vitamin C at scavenging free radicals. The ZnO/CuO nanocomposite enhanced the extract's optical and structural characteristics, according to the data, which indicate that it might have value in environmental and medical applications.

    2026
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    4CFD Modeling of Coupled Flow-Reaction Behavior in a Microwave-Assisted Circulating Vibrated Fluidized Bed for Polymer Surface Fluorination
    Yayuan Zheng

    Fluorinated polymers are strategic materials with high added value; however, their industrial production is constrained by conventional screw-rod and batch autoclave reactors that suffer from extreme temperatures (>300 degrees C), severe equipment corrosion, and limited product quality. To address these limitations, this study proposes a circulating vibrated fluidized bed microwave fluorination (CVFB-MF) reactor that integrates mechanical vibration, microwave volumetric heating, and fluorine gas recycling into a single continuous unit. A coupled computational fluid dynamics (CFD) model was developed by integrating the Euler-Euler two-fluid approach with surface reaction kinetics via user-defined functions (UDFs). The kinetic theory of granular flow (KTGF) and the Gidaspow drag model were employed to close the solid-phase governing equations and characterize interphase momentum exchange, respectively. The model was rigorously validated against experimental pressure drop, bed expansion ratio, and radial solid volume fraction data, with relative deviations within +/- 15 %. Parametric investigations reveal that mechanical vibration effectively suppresses bubble coalescence and enhances particle mixing, while microwave heating ensures rapid and uniform temperature elevation across the bed. The Damk & ouml;hler number analysis indicates a transition from mass-transfer-controlled behavior in the lower dense-phase region to reaction-controlled behavior in the upper dilute-phase region along the bed height, and an optimal operating window was identified through multi-parameter response surface analysis (conversion similar to 88 % at f = 50-60 Hz and U p = 1.0-1.3 m s-1). The established coupled model provides a scalable theoretical framework for the design, optimization, and scale-up of next-generation fluorination reactors.

    2026
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    5Unlocking Chemistry Behind the Metal Arc Welding-Based Parametric Optimization to Enhance the Weld Efficiency and Tensile Strength in AISI 1006 Steel by Using the Spice Logic Analytical Hierarchy-Based Multi Criteria Decision-Making Approach
    Subramani Raja,Vijayakumar Praveenkumar,Maher Ali Rusho,Shubham Sharma, Nagaraj Patil,V. K. Bupesh Raja, Abinash Mahapatro,Razaullah Hafiz Ullah, Medhat M. Helal

    Metal gas arc welding (GMAW) is a widely used welding process known for its efficiency and versatility in joining metals. The quality and efficiency of GMAW depends on the selection and optimization of process parameters. This research aims to select suitable process parameters for welding AISI 1006 steel by metal gas arc welding based on tensile test. For this, voltage (V), current (A), and weld speed (inch/min) welding process parameters have been taken into account. Also, modern decision-making software spice logic AHP software has been used. At the end of this research, 29 V, 80 A, and 17 inch/min has been found as suitable process parameters for welding AISI 1006 steel. Additionally, challenges and future trends in GMAW process parameter optimization are highlighted.

    2026
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    高被引作者

    作者引用发文
    Cedric Briens61517
    Franco Berruti61316
    Baosheng Jin34323
    L. Muruganandam3302
    R.J. Byron Smith3272
    S. Murthy Shekhar3272
    Muthanna Al-Dahhan2786
    Badie I. Morsi24710
    Sanjay Madhusudan Mahajani2395
    Terry Marker2341

    高产作者

    作者引用发文
    Baosheng Jin34323
    Cedric Briens61517
    Franco Berruti61316
    Kailas L. Wasewar14215
    Amit Kumar7514
    Rafael Maya-Yescas12014
    Hugo De Lasa10014
    Ricardo Aguilar-Lopez14913
    Carlos O. Castillo-Araiza11313
    Wenqi Zhong19913

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