Chemical Engineering Science最新文献_第9页

Modelling and experimental validation of the evaporation and crystallisation of a saline droplet 盐水液滴蒸发和结晶的建模和实验验证

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-02 DOI: 10.1016/j.ces.2025.123114

Benjamin Mignot, Tariq Mahmud, Peter J. Heggs, Mojtaba Ghadiri, Kevin J. Roberts

Fundamental understanding of the drying and crystallisation kinetics and shape of resultant crystalline particles produced via droplet evaporation is essential across several applications. Population balance modelling provides a deterministic framework to predict crystal size distribution (CSD) by considering nucleation, growth, and diffusion of crystals within a drying droplet. This study models crust formation in a levitating saline droplet by mathematical modelling of its evaporation and crystallisation. Numerical predictions are obtained for the water evaporation, heat transfer and internal solute (NaCl) diffusion. The CSD is predicted by solving a one-dimensional population balance equation (PBE) using both the discrete method and the method of moments (MoM), considering the impact of crystal diffusion. The predicted change in droplet size over time aligns well with experiments on an acoustically levitated saline droplet. The crystal birth and growth rates are estimated by matching the predictions with the measured time to reach crust formation and the number of crystals formed as observed by scanning electron microscopy. The MoM significantly reduces computational time and memory requirements compared to the discrete method. Both methods, with or without accounting for crystal diffusion, provide similar results on a uniform computational mesh, but refining the mesh at the droplet surface causes the MoM to fail to converge. While neglecting the crystal diffusion in the PBE improves numerical convergence, the predicted number of crystals tends towards zero for finer meshes. This study presents a suitable approach for solving the PBE in an evaporating droplet to ensure numerical accuracy.

对干燥和结晶动力学的基本理解以及通过液滴蒸发产生的结晶颗粒的形状在几个应用中是必不可少的。种群平衡模型通过考虑干燥液滴内晶体的成核、生长和扩散，为预测晶体尺寸分布（CSD）提供了一个确定性框架。本研究通过对悬浮盐水液滴的蒸发和结晶进行数学建模，模拟了其地壳的形成。对水蒸发、传热和内部溶质（NaCl）扩散进行了数值预测。考虑晶体扩散的影响，采用离散法和矩量法求解一维种群平衡方程（PBE）来预测CSD。预测的液滴大小随时间的变化与声学悬浮盐水液滴的实验结果很好地吻合。通过将预测结果与测量到的地壳形成时间和扫描电子显微镜观察到的形成晶体的数量相匹配，估计了晶体的出生和生长速度。与离散方法相比，MoM显著减少了计算时间和内存需求。这两种方法，无论是否考虑晶体扩散，都在均匀的计算网格上提供了相似的结果，但在液滴表面细化网格会导致MoM无法收敛。忽略晶体在PBE中的扩散可以改善数值收敛性，但对于更细的网格，预测的晶体数趋于零。本研究提出了一种求解蒸发液滴中PBE的合适方法，以保证数值精度。

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引用次数: 0

Modeling pyrolysis process under non-isothermal condition using caputo fractional derivative 用Caputo分数阶导数模拟非等温条件下的热解过程

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-02 DOI: 10.1016/j.ces.2025.123066

Nimisha Pathak, Harshesh Bhatt, Anil Chavada

Pyrolysis is a thermochemical process that converts organic waste into valuable products such as bio-oil, syngas, and char. However, modeling this complex process remains challenging due to nonlinear kinetics and strong thermal-memory effects. This study develops a novel fractional-order pyrolysis model in the Caputo sense to capture the memory-dependent behavior of biomass decomposition. The proposed model improves the usual two-stage reaction process by using fractional derivative that reflect the system’s memory of temperature changes, giving a clearer picture of how heat and materials interact during pyrolysis under non-isothermal condition. Theoretical analyses establish non-negativity, boundedness, existence, and uniqueness of solutions, along with Ulam-Hyers and generalized Ulam-Hyers stability. The system is solved numerically using the fractional Runge-Kutta fourth order method under varying fractional orders and heating rates. Simulation results reveal that reducing the fractional order enhances the thermal conversion rate, leading to higher optimal heating rate and shorter residence time without significant rise in final temperature. These findings suggest that fractional-order modeling offers a useful way to improve the pyrolysis process, which can help design better reactors and use energy more efficiently in bioenergy systems.

热解是一种热化学过程，将有机废物转化为有价值的产品，如生物油、合成气和木炭。然而，由于非线性动力学和强烈的热记忆效应，对这一复杂过程的建模仍然具有挑战性。本研究在卡普托意义上发展了一种新的分数阶热解模型，以捕捉生物质分解的记忆依赖行为。该模型通过使用分数阶导数来反映系统对温度变化的记忆，从而改进了通常的两阶段反应过程，更清晰地描述了热与材料在非等温条件下热解过程中的相互作用。理论分析证明了解的非负性、有界性、存在性和唯一性，以及Ulam-Hyers稳定性和广义Ulam-Hyers稳定性。采用分数阶龙格-库塔四阶方法对系统在不同分数阶和加热速率下进行了数值求解。模拟结果表明，降低分数阶可以提高热转化率，在不显著提高最终温度的情况下，提高最优加热速率，缩短停留时间。这些发现表明，分数阶模型为改进热解过程提供了一种有用的方法，可以帮助设计更好的反应器，并在生物能源系统中更有效地利用能量。

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引用次数: 0

Silicon-enhanced ZnO/CuO nanocomposite films via spray pyrolysis for durable antimicrobial coatings 喷雾热解法制备硅增强ZnO/CuO纳米复合膜制备耐久抗菌涂层

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-02 DOI: 10.1016/j.ces.2025.123123

Amine Djareddir , Dikra Bouras , Mamoun Fellah , Regis Barille , Hind Saidani-Scott , Ahlem Guesmi , Lotfi Khezami

The rising threat of antibiotic-resistant pathogens in healthcare settings necessitates the development of robust, long-lasting antimicrobial coatings for high-touch surfaces and medical devices. This study demonstrates the critical role of silicon substrates in enhancing the performance of spray-pyrolysis ZnO/CuO nanocomposite films for durable antimicrobial coatings. Comprehensive structural, morphological, and optical characterizations using X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Brunauer-Emmett-Teller (BET), Transmission Electron Microscopy (TEM), Minimum Inhibitory Concentration / Minimum Bactericidal Concentration (MIC/MBC), Time-Resolved Photoluminescence (TRPL), Ultraviolet Photoelectron Spectroscopy (UPS), Atomic Force Microscopy (AFM), and UV–Vis spectroscopy Comprehensive characterization revealed that films on silicon exhibited a 50 % increase in ZnO crystallite size (42 nm vs. 28 nm on glass), a 40 % higher specific surface area (39.8 m²/g), and a 1.8-fold enhancement in visible light absorption at 500 nm. These superior structural and optical properties translated directly to exceptional antimicrobial performance, achieving a record inhibition zone of 13.2 ± 0.85 mm against methicillin-resistant Staphylococcus aureus (MRSA) with a minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of 62.5 µg/mL and 125 µg/mL respectively − representing a two-fold improvement over glass-supported films. The enhanced efficacy originated from triple-mechanism synergy: (i) a strain-engineered Type-II heterojunction enabling 2.1-fold greater reactive oxygen species generation, (ii) controlled ion release (0.28 ppm/h Zn²⁺ with ± 5 % variation), and (iii) nanomechanical membrane disruption by high-curvature features. Crucially, the silicon-supported coatings demonstrated exceptional durability, maintaining over 90 % antibacterial activity after 30 use cycles compared to 40 % degradation in glass-supported films. These findings establish silicon-backed ZnO/CuO nanocomposites as a scalable, high-performance solution for long-lasting antimicrobial protection on medical implants, surgical instruments, and high-contact surfaces in clinical environments.

卫生保健环境中耐抗生素病原体的威胁日益增加，需要为高接触表面和医疗设备开发坚固耐用的抗菌涂层。该研究证明了硅衬底在提高喷雾热解ZnO/CuO纳米复合膜的耐用抗菌涂层性能方面的关键作用。利用x射线衍射（XRD）、扫描电子显微镜（SEM）、布鲁诺尔-埃米特-泰勒（BET）、透射电子显微镜（TEM）、最小抑菌浓度/最小杀菌浓度（MIC/MBC）、时间分辨光致发光（TRPL）、紫外光电子能谱（UPS）、原子力显微镜（AFM）、综合表征表明，硅上薄膜的ZnO晶粒尺寸增加了50% (42 nm比28 nm)，比表面积增加了40% (39.8 m2/g)， 500 nm处的可见光吸收增加了1.8倍。这些优越的结构和光学特性直接转化为卓越的抗菌性能，对耐甲氧西林金黄色葡萄球菌（MRSA）达到创纪录的抑制区13.2±0.85 mm，最低抑制浓度（MIC）和最低杀菌浓度（MBC）分别为62.5µg/mL和125µg/mL -比玻璃支撑膜提高了两倍。增强的效果源于三重机制的协同作用：(i)菌株工程ii型异质结使活性氧生成增加2.1倍，（ii）控制离子释放（0.28 ppm/h Zn2+，±5%变化），以及（iii）高曲率特征的纳米力学膜破坏。至关重要的是，硅支撑的涂层表现出了卓越的耐久性，在30次使用循环后保持了90%以上的抗菌活性，而玻璃支撑的薄膜的降解率为40%。这些发现表明，硅基ZnO/CuO纳米复合材料是一种可扩展的高性能解决方案，可用于医疗植入物、手术器械和临床环境中高接触表面的长效抗菌保护。

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引用次数: 0

Design of spherical particles in water for high-melting drugs through eutectic-assisted droplet-confined crystallization 用共晶辅助液滴限制结晶法设计高熔点药物在水中的球形颗粒

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-02 DOI: 10.1016/j.ces.2025.123124

Mengmeng Sun , Jie Cheng , Man Gao , Jingtao Bi , Yingying Zhao , Sohrab Rohani

This work presents a eutectic-assisted spherical crystallization for high-melting drugs using an organic solvent-free method. The approach involves creating a eutectic mixture of a high-melting drug, indomethacin, and the additive 2,6-dimethoxyphenol which is a low-melting food flavoring. Water is subsequently added to selectively dissolve the additive, resulting in the formation of drug droplets that serve as the confinement for spherical crystallization. Also, multi-component spherical particles of indomethacin-celecoxib can be designed through a similar mechanism. Indomethacin is transformed from the stable Form γ to metastable Form α, due to the formation of hydrogen bonding between the phenolic hydroxyl groups of the additive and the carboxyl groups of indomethacin disrupting the dimer formation of Form γ. While demonstrated with indomethacin and celecoxib, the proposed method can be easily generalized to other high-melting drugs, offering advantages of an organic solvent-free process, low operation temperature, and high selectivity for the metastable form.

本文提出了一种用无溶剂有机方法对高熔点药物进行共晶辅助球形结晶的方法。该方法包括制造一种高熔点药物吲哚美辛和添加剂2,6-二甲氧基酚（一种低熔点食品调味品）的共晶混合物。随后加入水以选择性地溶解添加剂，从而形成药物液滴，作为球形结晶的约束。同样，也可以通过类似的机制设计吲哚美辛-塞来昔布的多组分球形颗粒。吲哚美辛由稳定的γ型转变为亚稳定的α型，这是由于添加剂的酚羟基与吲哚美辛的羧基之间形成氢键，破坏了γ型二聚体的形成。虽然用吲哚美辛和塞来昔布进行了验证，但该方法可以很容易地推广到其他高熔点药物，具有无有机溶剂过程、低操作温度和亚稳态形式高选择性的优点。

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引用次数: 0

Performance-based screening of ionic liquids for CO2 capture via a pressure/temperature-swing process approach 通过压力/温度变化过程方法对离子液体进行基于性能的CO2捕获筛选

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-02 DOI: 10.1016/j.ces.2025.123117

Narmin Suleymanli , Felipe A. Perdomo

In this work, we present a novel and pragmatic methodology to screen and evaluate the performance of ionic liquids as potential solvents for CO₂ capture. The proposed approach is based on a group-contribution (GC) framework that enables testing a wide range of cation-ion combinations. A classic thermodynamic model is implemented to estimate the CO₂ solubility in ionic liquids, while empirical GC correlations are used to determine the thermophysical properties required for energy balances. A pressure-temperature swing CO₂ capture archetype, comprising an absorber, flash units, and heat exchangers, is modelled to assess the suitability of fourteen imidazolium-based ionic liquids as scrubbing solvents. Key performance indicators include CO₂ loading, absorbent flow rate, regeneration feasibility via pressure/temperature swing, and heat duty for solvent recovery. Opportunities for heat integration are also evaluated.The current work provides a practical and straightforward framework to incorporate process-level performance into CAMD methodologies aiming the screening of optimal ionic liquids for CO₂ capture in both pre- and post-combustion scenarios.

在这项工作中，我们提出了一种新颖实用的方法来筛选和评估离子液体作为二氧化碳捕获潜在溶剂的性能。提出的方法基于基团贡献（GC）框架，可以测试广泛的阳离子-离子组合。采用经典的热力学模型来估计离子液体中CO2的溶解度，而经验GC相关性用于确定能量平衡所需的热物理性质。一个压力-温度变化的二氧化碳捕获原型，包括吸收器、闪蒸装置和热交换器，被建模来评估14种咪唑基离子液体作为洗涤溶剂的适用性。关键性能指标包括二氧化碳负荷、吸收流量、通过压力/温度变化再生的可行性以及溶剂回收的热负荷。热集成的机会也进行了评估。目前的工作提供了一个实用和直接的框架，将过程级性能纳入CAMD方法，旨在筛选燃烧前和燃烧后情景中用于CO2捕获的最佳离子液体。

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引用次数: 0

ZnS/Zn-MOFs@SC superhydrophobic coatings mimicking layered stone structures enhance anti-fouling, corrosion resistance, and antibacterial properties of magnesium alloys 模拟层状石材结构的ZnS/Zn-MOFs@SC超疏水涂层增强了镁合金的防污、耐腐蚀和抗菌性能

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-01 DOI: 10.1016/j.ces.2025.123112

Jia Su , Xinyu Pei , Hongying Shi , Jiajia Luo , Yi Chen , Qin Yang , Jiwei Huang , Wenzhai Cao , Jianwen Zhang , Junying Chen

Magnesium alloys are promising for biodegradable medical devices due to their low density, high specific strength, and excellent biocompatibility. However, their rapid corrosion, protein fouling, and bacterial adhesion severely limit clinical applications. Here, a stratified-rock-inspired micro/nano-structured ZnS/Zn-MOFs coating was fabricated on AZ31B via a one-step hydrothermal route and post-functionalized with stearic acid (SA) and chloramphenicol (CAP) to afford a superhydrophobic ZnS/Zn-MOFs@SC surface (water contact angle ≈ 164°). The coating retained its superhydrophobicity after ultrasonication, adhesive-tape peeling, and sandpaper abrasion. Electrochemical measurements revealed that the corrosion current density (I_corr) decreased from ∼10^-3 A cm⁻² (bare alloy) to 7.66 × 10^-7 A cm⁻², corresponding to a four-order-of-magnitude improvement, while the diameter of the capacitive loop in the Nyquist plot increased by five orders of magnitude. In vitro bacterial tests show the coating fully prevents bacterial adhesion. The inhibition zones for E. coli and S. epidermidis reach 3.1 cm and 4.4 cm. And it has been established that bacterial growth levels below the detection limit (10⁵ CFU cm⁻²) cannot effectively evaluate its antimicrobial efficacy. These results demonstrate that the ZnS/Zn-MOFs@SC coating simultaneously provides robust corrosion protection, anti-fouling, and antibacterial activities, offering great potential for next-generation biodegradable implants.

镁合金具有低密度、高比强度和良好的生物相容性等优点，在生物可降解医疗器械中具有广阔的应用前景。然而，它们的快速腐蚀、蛋白质污染和细菌粘附严重限制了临床应用。本文采用一步水热法在AZ31B上制备了一层岩石微纳米结构ZnS/ zn - mof涂层，并用硬脂酸（SA）和氯霉素（CAP）进行后功能化，获得了超疏水ZnS/Zn-MOFs@SC表面（水接触角≈164°）。涂层经超声处理、胶带剥落、砂纸磨蚀后仍保持超疏水性。电化学测量表明，腐蚀电流密度（Icorr）从裸合金的~ 10-3 A cm - 2下降到7.66 × 10-7 A cm - 2，提高了4个数量级，而Nyquist图中电容回路的直径增加了5个数量级。体外细菌测试表明，涂层完全防止细菌粘附。对大肠杆菌和表皮葡萄球菌的抑制区分别为3.1 cm和4.4 cm。并且已经确定细菌生长低于检测限（105 CFU cm−2）不能有效评价其抗菌效果。这些结果表明，ZnS/Zn-MOFs@SC涂层同时具有强大的防腐、防污和抗菌活性，为下一代生物可降解植入物提供了巨大的潜力。

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引用次数: 0

A novel hybrid residual model for accurately predicting gas composition of biomass pyrolysis: From the perspective of biomass composition 一种准确预测生物质热解气体组成的混合残余模型：基于生物质组成的视角

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-01 DOI: 10.1016/j.ces.2025.123118

Hao Chen , Ting Li , Huimin Gao, Cong Wang, Hongliang Qian

Predicting gas composition from the biomass pyrolysis remains a significant challenge, primarily because of the inherent complexity of the process and the diversity of biomass. Herein, to investigate the effect of biomass composition on gas products, a novel hybrid residual (N-HR) modeling approach that combines the residuals of the thermochemical equilibrium model with the random forest (RF) model was proposed. The theoretical values M_C of gas composition produced by different biomass were calculated by Gibbs free energy minimization based on our thermochemical data prediction model innovatively, and the residuals δ (δ = M_E − M_C) between the experimental values M_E and the theoretical values were predicted by adding a new input theoretical–experimental ratio (T/E ratio, d = M_C/M_E). Subsequently, the method was evaluated for the direct prediction of experimental or residual values using random forests, based on biomass composition and operating conditions. The results demonstrated that the N-HR model achieved the best performance, with R² values of 0.9304, 0.9463, 0.9555, and 0.9637 for δCO₂, δCO, δCH₄, and δH₂, respectively. Both importance analyses and SHAP value analyses were also conducted. The N-HR model, which integrates the mechanism-driven model with the data-driven model, can serve as a valuable reference for biomass pyrolysis modeling.

从生物质热解中预测气体成分仍然是一个重大挑战，主要是因为该过程的固有复杂性和生物质的多样性。为了研究生物质组成对气体产物的影响，提出了一种将热化学平衡模型的残差与随机森林模型相结合的混合残差（N-HR）建模方法。在热化学数据预测模型的基础上，采用Gibbs自由能最小化法，创新地计算了不同生物质产气组分的理论值MC，并通过加入新的理论实验比（T/E比，d = MC/ME），预测了实验值ME与理论值之间的残差δ （δ = ME−MC）。随后，基于生物量组成和操作条件，评估了该方法使用随机森林直接预测实验值或残值的能力。结果表明，N-HR模型对δCO2、δCO、δCH4和δH2的R2分别为0.9304、0.9463、0.9555和0.9637，具有最佳的模拟效果。并进行了重要性分析和SHAP值分析。N-HR模型将机理驱动模型与数据驱动模型相结合，可为生物质热解建模提供有价值的参考。

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引用次数: 0

Enhancing oxygen evolution reaction via coalescence-induced bubble detachment by site spacing regulation 通过聚结诱导气泡脱离的位置间距调节增强析氧反应

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-01 DOI: 10.1016/j.ces.2025.123120

Lin Yang , Xiaoning Li , Lingyu Gao , Xinyi Huo , Aiqun Kong , Bingyan Liu , Jiangjiexing Wu , Wei Li , Jinli Zhang

Hydrogen production via alkaline water electrolysis is essential for renewable energy storage and carbon neutrality. However, gas bubble dynamics at the electrode–electrolyte interface severely limit reaction efficiency, particularly under industrial current densities. This study elucidates the specific coalescence of bubbles in oxygen evolution reactions (OER) in alkaline electrolytes using dual microelectrodes and applies the insights to the fabrication of porous nickel electrodes. An in-situ dual-microelectrode characterization platform was constructed to investigate how nucleation site spacing, applied potential, and electrolyte flow govern bubble detachment modes and current oscillations. Three distinct detachment regimes, coalescence-driven, extrusion-driven, and mixed-mode, were identified and shown to be adjustable by geometric and flow parameters. Electrolyte flow was found to accelerate bubble detachment and shift the dominant mechanism. A quantitative model correlating overpotential, flow velocity, interelectrode spacing/diameter, and current density was developed to capture the influence of bubble dynamics on OER performance. Furthermore, a dynamic hydrogen bubble templating (DBHT) method was implemented to fabricate porous nickel electrodes with controllable pore spacing by adjusting deposition parameters (current density, NiCl₂ concentration, pH, and viscosity). The optimized electrodes, with a pore spacing-to-diameter ratio of 1.6, achieved up to a 62 mV reduction in OER overpotential at 10,000 A m⁻² compared to non-optimized DHBT electrodes. These results demonstrate that rational control of gas evolution dynamics can substantially enhance interfacial reaction efficiency, offering a scalable and energy-efficient pathway for advanced electrode design in industrial alkaline electrolysis systems.

碱水电解制氢对可再生能源储存和碳中和至关重要。然而，电极-电解质界面的气泡动力学严重限制了反应效率，特别是在工业电流密度下。本研究利用双微电极阐明了碱性电解质中析氧反应（OER）中气泡的特异性聚结，并将其应用于多孔镍电极的制备。构建了原位双微电极表征平台，研究成核位间距、外加电位和电解质流量对气泡分离模式和电流振荡的影响。三种不同的分离模式：聚结驱动、挤压驱动和混合模式，可以通过几何和流动参数进行调节。电解质流动加速了气泡的分离，改变了气泡分离的主要机制。建立了一个定量模型，将过电位、流速、电极间距/直径和电流密度联系起来，以捕捉气泡动力学对OER性能的影响。此外，通过调整沉积参数（电流密度、NiCl2浓度、pH和粘度），实现了动态氢泡模板（DBHT）法制备孔间距可控的多孔镍电极。与未优化的DHBT电极相比，优化电极的孔间距与直径比为1.6，在10,000 am−2时，OER过电位降低了62 mV。这些结果表明，合理控制气体演化动力学可以大大提高界面反应效率，为工业碱电解系统的先进电极设计提供了可扩展和节能的途径。

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引用次数: 0

Comparative analysis of radiative heat transfer in CNT-based hybrid nanofluids over porous curved surface 基于碳纳米管的混合纳米流体在多孔曲面上的辐射传热比较分析

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-12-01 DOI: 10.1016/j.ces.2025.123119

Tanya Gupta , Alok Kumar Pandey , Manoj Kumar

The purpose of this work is to examine the heat transfer enhancement in the flow of hybrid nanofluids through a stretching curved surface. The flow behaviour of hybrid nanofluids is influenced by the synergistic effects of porous medium, quadratic thermal radiation, Darcy-Forchheimer drag, non-uniform heat generation/absorption, temperature-dependent thermal conductivity, and velocity slip condition. The hybrid nanofluids for the present model are composed of single-walled carbon nanotubes (SWCNT) and multi-walled carbon nanotubes (MWCNT) as nanoparticles, and ethylene glycol–water (C₂H₆O₂-H₂O) and kerosene oil (KO) as base fluids. The Legendre wavelet collocation method (LWCM) is implemented to solve nonlinear ordinary differential equations. From the outcomes, it is observed that with escalating radiation factor, the heat transfer rate of kerosene oil-based hybrid nanofluid is better than that of C₂H₆O₂-H₂O-based hybrid nanofluid. It is seen that on increasing the volume fraction of SWCNT-MWCNT in C₂H₆O₂-H₂O from 1 % to 10 %, the heat transfer enhancement is from 74.1 % to 82.77 %, while in the case of kerosene oil, it increased from 83.57 % to 92.68 %. Overall, heat transfer performance is better using kerosene oil as a base fluid. The incorporation of quadratic radiation and non-uniform heat sources simulates real-world scenarios like solar thermal energy harvesting, where radiation intensity and internal heating vary spatially. This work is applicable for optimizing heat transfer in fuel-based thermal management systems such as engines and turbines.

本研究的目的是研究混合纳米流体通过拉伸曲面时的传热增强。多孔介质、二次热辐射、Darcy-Forchheimer阻力、非均匀产热/吸热、温度相关导热系数和速度滑移条件的协同效应影响了混合纳米流体的流动行为。该模型的混合纳米流体由单壁碳纳米管（SWCNT）和多壁碳纳米管（MWCNT）作为纳米颗粒，以乙二醇-水（C2H6O2-H2O）和煤油（KO）为基础流体组成。采用Legendre小波配置法求解非线性常微分方程。结果表明，随着辐射因子的增大，煤油基杂化纳米流体的换热速率优于c2h6o2 - h2o基杂化纳米流体。结果表明，当swcnts - mwcnt在C2H6O2-H2O中的体积分数从1%增加到10%时，传热强化率从74.1%增加到82.77%，而在煤油中，传热强化率从83.57%增加到92.68%。总的来说，使用煤油作为基液的传热性能更好。二次辐射和非均匀热源的结合模拟了现实世界的场景，如太阳能热能收集，其中辐射强度和内部加热在空间上是不同的。这项工作适用于优化基于燃料的热管理系统（如发动机和涡轮机）的传热。

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引用次数: 0

CFD modeling and experimental validation of spray drying for inhalable particles 可吸入颗粒喷雾干燥的CFD建模及实验验证

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-11-30 DOI: 10.1016/j.ces.2025.123083

Marco Trofa , Igino Foglia , Federica Vallefuoco , Valentina Ruggiero , Paola Russo , Domenico Larobina , Gaetano D’Avino

Spray drying is a key technology for producing inhalable particles used in the treatment of respiratory diseases such as asthma, chronic obstructive pulmonary disease, and cystic fibrosis. This study presents a comprehensive computational fluid dynamics analysis of the spray drying process, integrating detailed modeling of gas flow, droplet evaporation, and heat and mass transfer phenomena. The model is validated against experimental measurements of temperature fields and particle size distributions obtained from a Büchi B-290 Mini Spray Dryer equipped with a three-fluid nozzle. Results show good agreement between simulations and experiments, confirming the reliability of the modeling approach. A novel criterion based on the local balance between incident liquid flux and evaporation flux is introduced to interpret thermocouple readings, offering a physically consistent framework for comparing numerical and experimental temperature data. The study highlights the importance of resolving internal nozzle dynamics and multiphase interactions to improve the predictive accuracy of numerical models in pharmaceutical spray drying applications.

喷雾干燥是生产可吸入颗粒的关键技术，用于治疗呼吸系统疾病，如哮喘、慢性阻塞性肺病和囊性纤维化。本研究对喷雾干燥过程进行了全面的计算流体动力学分析，整合了气体流动、液滴蒸发和传热传质现象的详细建模。该模型与配备三流体喷嘴的b chi B-290迷你喷雾干燥机的温度场和粒径分布的实验测量结果进行了验证。仿真结果与实验结果吻合较好，验证了建模方法的可靠性。引入了一种基于入射液体通量和蒸发通量局部平衡的新判据来解释热电偶读数，为比较数值和实验温度数据提供了物理上一致的框架。该研究强调了解决喷嘴内部动力学和多相相互作用的重要性，以提高药物喷雾干燥应用中数值模型的预测精度。

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引用次数: 0