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CHEMICAL ENGINEERING & TECHNOLOGY · 2013 ·Vol. 36 ·期 5 ·851-862 · IF 1.366

Hydrodynamics and Transport Processes during Centrifugal Short-Path Distillation

L.-J. Chen,H.-B. Dong,Q. Li,C.-C. Niu,A.-W. Zeng

To simulate the centrifugal short-path distillation process, both two phases and interfacial transport are taken into account simultaneously for the first time. A new computational fluid dynamics model based on the volume-of-fluid and species transport methods is built up to analyze the detailed flow and transfer characteristics. A binary system with dibutyl phthalate-dibutyl sebacate (DBP-DBS) is used as an example for the investigation with both numerical and experimental methods. The residence time and the effects of operating parameters such as evaporator temperature and feed flow rate are explored comparatively. The simulation result for the liquid-film thickness shows a satisfactory agreement with literature data. On the basis of the simulation results, we may also obtain detailed characteristics of the heat and mass transfer such as gradients in temperature and concentration and the liquid overall mass transfer coefficient.

研究领域: 化学工程 · 传热传质学
✓ 已验证 DOI 高影响因子
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2020 · IF 3.573

Experimental and Numerical Study of the Ultrasonic Atomization Pyrolysis Process toward Mass Production of Photocatalysts

Jian Wang,Fang Feng,Chang Wang,Wei-Cheng Yan,Weidong Shi

Ultrasonic atomization pyrolysis (UAP) is an effective method for the mass production of micro-/nano-photocatalysts; however, studies on particle-flow behaviors and the collection efficiency were seldom reported, which are very important for its scale-up and industrialization. In this study, a computational fluid dynamics model was developed to simulate the UAP process. Experiments were carried out via a self-designed UAP setup to validate the developed model. A two-way coupling discrete phase model considering particle collision and breakage was employed to investigate the influence of operating conditions (for example, carrying gas flow rate, precursor concentration, ultrasonic frequency, particle injection rate, and temperature) on the collection efficiency and particle-flow behaviors. Effects of particle polydispersity were also studied based on the developed model. Finally, three types of UAP reactors were designed based on the developed model, and the results suggested that a T-shape reactor possessed higher particle collection efficiency. This study could help to understand the particle-flow behaviors inside the reactor, and the developed model could serve as a tool to optimize the design and operation of the UAP reactor toward large-scale production of photocatalysts.

CAS / MDL: 10196-18-6
研究领域: 化学工程 · 材料科学
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THERMOCHIMICA ACTA · 2018 · IF 2.189

Numerical simulation and experimental study of thermal decomposition of cumene hydroperoxide in closed pressure vessel

Shunyao Wang,Xu Peng,Huabo Li,Zichao Guo,Liping Chen,Wanghua Chen

Cumene hydroperoxide (CHP) is prone to thermal decomposition in chemical industry, but there are few reports on the related phenomena in the reactor when decomposition occurs. In order to reveal the complex phenomena of fluid-solid coupled heat transfer, two-phase flow and multi-phase chemical reaction in the CHP decomposition, computational fluid dynamics (CFD) approach was applied to simulate the decomposition of CHP with different mass in a closed pressure vessel. Based on a known reaction scheme and the kinetics evaluated from differential scanning calorimeter (DSC) results, a comprehensive CFD model of CHP decomposition was created. As a result, detailed information on the reaction course was obtained, and distribution of temperature, pressure, reaction rate, and flow velocity in the vessel were also investigated. Finally, closed pressure vessel tests (CPVT) were conducted to verify the validity of the CFD model. This work is conducive to deeply understand the thermal decomposition and reactive hazards assessment of CHP.

研究领域: 化学工程 · 安全科学
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CHEMICAL ENGINEERING JOURNAL · 2020 · IF 10.652

Application of the engulfment model in assessing micromixing time of a micro-impinging stream reactor based on the determination of impinging zone with CFD

Renjie Gu,Kunpeng Cheng,Lixiong Wen

Traditionally, study on the micromixing performance within reactors mostly relied on various competitive probe reactions through experiments or CFD simulations. In such simulations, component concentrations at the simulating-cell scale had to be firstly obtained and then applied to reaction kinetics to evaluate the micromixing. However, if reliable local concentration distributions can be obtained, no probe reactions are necessary anymore because intrinsically micromixing is about the mixing and distributions of the different components at the microscale . In this work, the engulfment model (E-model), without the aid of the probe reactions, was applied to simulate the micromixing time ( t m ) of a micro-impinging stream reactor based on the determination of the impinging zone through the flow field analysis with CFD. The effects of channel diameter and flow rates on t m were studied in details. The obtained t m agreed well with the results obtained through traditional approaches with the probe reactions.

研究领域: 化学工程 · 流体力学 · 微反应器技术
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MATERIALS & DESIGN · 2023 · IF 8.4

Extrusion-based 3D co-printing: Printing material design and novel workflow for fabricating patterned heterogeneous tissue structures

Pengju Wang,Yazhou Sun,Dekai Li,Ziyang Ma,Bohan Zhang,Liwei Diao,Haitao Liu

Extrusion-based 3D printing (E3DP) is commonly used both in in vitro and in situ biofabrication, due to the wide range of biomaterials and cells available and the low cost. However, it is challenging to fabricate such functional scaffolds due to limitations in ink performance, which must match the physicochemical and biological features of tissues. This study aims to bridge the gap via controlling the material distribution before printing. Here a new approach for preparing structured inks for E3DP is proposed. The feasibility is verified through ink preparation and process parameter optimization. These inks are fabricated by the integrated technology of casting and 3D printing. Computational fluid dynamics (CFD) simulation is employed to simulate the ink flow through the channels of printheads. The geometric parameters of these inks are determined by analyzing the cross section of the extruded fibers. Inks with core–shell cross section are investigated to clarify the effect mechanism of structured inks on printed fibers. Inks with symmetric cross section are exemplified to show the diverse printable structures. Finally, a novel workflow to the design and fabrication of structured printing materials for E3DP is presented. This approach may enrich E3DP while facilitating the fabrication of heterogeneous tissue structures.

CAS / MDL: 9005-38-3
研究领域: 生物医学工程 · 材料科学 · 组织工程
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Virtual and Physical Prototyping · 2025 · IF 8.8

Additively manufactured 3D-architected alveolar bone reconstruction scaffolds derived from extracted natural teeth: computational modelling and feasibility evaluation

Lingling Zheng,Bingwu Xie,Chao Wang,Dan Chen,Liya Ai,Haiyan Liu,Antonio Apicella,Yubo Fan

The materials and design of scaffolds play a crucial role in promoting bone regeneration in alveolar bone defects. Extracted natural teeth have been considered potential graft biomaterials for treating bone defects. This study aimed to verify the feasibility and effectiveness of repairing alveolar bone defects using extracted natural teeth through biomechanical modelling additive manufacturing preparation and in vitro mineralisation experiments. Extracted natural teeth were collected to prepare standardised bioceramic slurry and evaluate the effect of digital light processing (DLP) process parameters including dispersion dosage solids loading and sintering temperatures. The results demonstrated that 50 vol% solid loading slurry with 2 wt.% dispersant dosage was regarded as the optimum slurry and 1200°C was the optimum sintering temperature. Biomechanical properties of four scaffold structures (trabecular diamond gyroid hexagonal void) were compared by Finite Element Analysis (FEA) Computational Fluid Dynamics (CFD) and compression tests. The results determined that G-scaffold exhibited excellent osteogenic space maintenance and mass transport properties. In vitro mineralisation experiments were conducted to validate the apatite-forming capacity of extracted natural teeth scaffolds. In conclusion extracted natural teeth are available to fabricate bioceramic scaffolds via DLP-based additive manufacturing techniques and exhibit superior clinical potential for the repair of alveolar bone defects.

研究领域: 生物医学工程 · 牙科材料 · 组织工程 · 机械工程 · 材料科学
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Micromachines · 2021 ·Vol. 12 ·期 8 ·883 · IF 2.891

Liquid Flow and Mass Transfer Behaviors in a Butterfly-Shaped Microreactor

Haicheng Lv,Zhirong Yang,Jing Zhang,Gang Qian,Xuezhi Duan,Zhongming Shu,Xinggui Zhou

Based on the split-and-recombine principle, a millimeter-scale butterfly-shaped microreactor was designed and fabricated through femtosecond laser micromachining. The velocity fields, streamlines and pressure fields of the single-phase flow in the microreactor were obtained by a computational fluid dynamics simulation, and the influence of flow rates on the homogeneous mixing efficiency was quantified by the mixing index. The flow behaviors in the microreactor were investigated using water and n-butanol, from which schematic diagrams of various flow patterns were given and a flow pattern map was established for regulating the flow behavior via controlling the flow rates of the two-phase flow. Furthermore, effects of the two-phase flow rates on the droplet flow behavior (droplet number, droplet size and standard deviation) in the microreactor were investigated. In addition, the interfacial mass transfer behaviors of liquid–liquid flow were evaluated using the standard low interfacial tension system of “n-butanol/succinic acid/water”, where the dependence between the flow pattern and mass transfer was discussed. The empirical relationship between the volumetric mass transfer coefficient and Reynold number was established with prediction error less than 20%.

研究领域: 微流控 · 化学工程 · 流体力学 · 材料科学
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CHEMICAL ENGINEERING SCIENCE · 2022 · IF 4.889

Highly active Mn-Cu bimetallic oxide catalyst assembled as 3D-printed monolithic agitating paddles for advanced oxidation process

Lu Long,Kaiji Xu,Kok Bing Tan,Dongren Cai,Yucheng Yang,Shu-Feng Zhou,Guowu Zhan

Catalytically agitating paddles are essential to perform liquid-solid heterogeneous catalytic reactions on an industrial scale due to the improved mass transfer and easy catalyst recovery. Herein, bimetallic oxides were formed after the calcination of nanomaterials derived from metal-organic frameworks (MOFs). Particularly, Mn(M)-BTC nanomaterials were synthesized by self-assembly of Mn 2+ ions (mixed with various dopants such as Cu 2+ , Ce 3+ , or Fe 2+ ) and H 3 BTC ligands in a mixed solvent of ethanol and water. It was found that in the powdery form, the Mn-Cu oxide derivate exhibited the highest degradation rate in the catalytic wet peroxide oxidation process (CWPO process), which was significantly higher than that of single metal oxide as well as Mn-Fe and Mn-Ce oxide derivates. The reason was caused by the synergistic effect between Mn-Cu promoted the formation of Mn 3+ and Cu + species to boost the CWPO reaction. Furthermore, the obtained Mn-Cu powdery catalysts were 3D-printed to obtain monolithic agitating paddles with different geometries, which were then mounted on a central shaft in the stirred reactor. An advanced oxidation process was used to investigate the effect of 3D patterns on the degradation efficiency of various organic dyes. It was discovered that the 3D-printed grid with higher cell density (484 cpsi) had better liquid mixing efficiency and thus better catalytic performance, which could be repeatedly used more than seven times. Additionally, the numerical simulation analysis (computational fluid dynamics) revealed a good mixing efficiency and improved mass transfer in the entire reactor equipped with the designed monolithic agitating impellers.

研究领域: 化学工程 · 材料科学 · 环境工程 · 催化
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Unveiling the effects of reactor configurations on the performance of lignin removal in the ozone micro-nano-bubble system

Yin Lu,Xuyin Yuan,Haiming Kan,Chi Zhang,Lin Chen,Alessandro Gottuso,Francesco Parrino,Tong Li,Shishu Zhu,Dawei Wang

Integrating the micro-nano-bubble (MNB) technology into the ozone (O 3 ) system has been gaining popularity for endowing the ozonation process with prolonged bubble residence time and increased mass transfer rate. This paper reports the lignin removal performance of the O 3 MNB system with different configurations in the secondary outlet and the baffle positions. The Eulerian-Eulerian Computational Fluid Dynamics-Population Balance Model (CFD-PBM) was employed to simulate the hydrodynamic conditions and mass transfer in the above-mentioned systems. The experimental data revealed that the MNB aeration led to high saturated concentrations of dissolved O 3 ( i.e. , 9.24 mg/L) and dissolved oxygen ( i.e. , 28.73–32.84 mg/L), together with limited gaseous O 3 emitted in the exhaust stream ( i.e. , 194.43 mg). Moreover, the efficiencies of the O 3 MNB system to generate hydroxyl radicals and mineralize contaminants were 5.99 and 2.23 times higher than those in conventional macrobubble (MB) aeration, respectively. CFD analysis revealed that the system configuration influenced the distribution of MNB and the mass transfer process during pollutant removal. To verify the CFD results, the superior performances in lignin degradation ( i.e. , 85.46 %) and chemical oxygen demand (COD) removal ( i.e. , 84.35 %) were observed for the O 3 MNB system after optimizing the secondary outlet and baffle configuration. This study highlights the high efficiency of the O 3 MNB system in wastewater treatment and the feasibility of optimizing reactor design for large-scale use.

研究领域: 环境工程 · 化学工程 · 水处理技术 · 计算流体力学
✓ 已验证 DOI 高影响因子
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Micromachines · 2025 ·Vol. 17 ·期 1 ·20 · IF 3

Study on the Core-Shell Structure of Gas-Assisted Coaxial Electrospinning Fibers: Implications for Semiconductor Material Design

Rongguang Zhang,Xuanzhi Zhang,Jianfeng Sun,Shize Huang,Xuan Zhang,Guohuai Lin,Xun Chen,Zhifeng Wang,Jiecai Long,Weiming Shu

Gas-assisted coaxial electrospinning (GACES), a simple and versatile technique for the large-scale fabrication of coaxial nanofiber membranes, possesses significant industrial potential across advanced manufacturing sectors including semiconductors—particularly for fabricating high-precision dielectric layers, high-uniformity encapsulation materials, and flexible semiconductor substrates requiring tailored core-shell architectures. However, there is still a lack of relevant studies on the effective regulation of the core-shell structures of coaxial fibers based on GACES, which greatly limits the batch preparation and wide application of coaxial fibers. Finite element simulation analysis of the flow field and development of the coaxial jet mechanics model with a gas-driven flow field—two key methodologies in this study—successfully uncovered the influence mechanism of gas-assisted flow fields on the core-shell structures of coaxial nanofibers. By adjusting the gas-assisted flow fields parameters, we reduced the total diameter of coaxial fibers by 47.33% (average fiber diameter: 334.12 ± 16.29 nm → 175.98 ± 1.18 nm), decreased the shell thickness by 72.98%, increased the core-shell ratio by 289% (core-shell ratio: 0.49 → 1.91), and improved the uniformity of the total diameter distribution of coaxial fibers by 30.64%. This study delivers a practical conceptual framework and robust experimental underpinnings for the scalable fabrication of coaxial nanofiber membranes with controllable core-shell structures, thereby promoting their practical application in semiconductor devices such as ultra-thin dielectric layers, precisely structured encapsulation materials, and high-uniformity templates for nanoscale circuit patterning.

CAS / MDL: 7732-18-5
研究领域: 材料科学 · 半导体工程 · 纳米技术 · 静电纺丝 · 计算流体力学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Materials · 2022 ·Vol. 15 ·期 3 ·855 · IF 3.748

The Migration and Deposition Behaviors of Montmorillonite and Kaolinite Particles in a Two-Dimensional Micromodel

Bate Bate,Chao Chen,Pengfei Liu,Chen Zhou,Xiao Chen,Shaokai Nie,Kexin Chen,Yunmin Chen,Shuai Zhang

The pick-up, migration, deposition, and clogging behaviors of fine particles are ubiquitous in many engineering applications, including contaminant remediation. Deposition and clogging are detrimental to the efficiency of environmental remediation, and their mechanisms are yet to be elucidated. Two-dimensional microfluidic models were developed to simulate the pore structure of porous media with unified particle sizes in this study. Kaolin and bentonite suspensions were introduced to microfluidic chips to observe their particle deposition and clogging behaviors. Interactions between interparticle forces and particle velocity profiles were investigated via computational fluid dynamics and discrete element method simulations. The results showed that (1) only the velocity vector toward the micropillars and drag forces in the reverse direction were prone to deposition; (2) due to the negligible weight of particles, the Stokes number implied that inertia was not the controlling factor causing deposition; and (3) the salinity of the carrying fluid increased the bentonite deposition because of the shrinkage of the diffused electrical double layer and an increase in aggregation force, whereas it had little effect on kaolin deposition.

研究领域: 环境科学 · 计算流体力学 · 颗粒动力学
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2019 · IF 3.375

Experimental Study and DEM Numerical Simulation of Dry/Wet Particle Flow Behaviors in a Spouted Bed

Tianqi Tang,Yurong He,Anxing Ren,Tianyu Wang

In this study, wet particle flow behaviors were investigated in a spouted bed using numerical simulations and experiments. Effects of liquid contents and viscosities were investigated. For the experiment, instantaneous particle distribution and particle velocity distributions were explored. Liquid content and viscosity affected flow pattern together. Keeping increasing liquid content and viscosity, the flow pattern displayed flow instabilities, and the gas channel became curved. Numerical simulation results of time-averaged particle velocities agreed well with the experimental data. The regime map of domination forces is shown. Drag force has little effect on particle flow behaviors with liquid viscosity exceeding 10 mPa·s, and contact and liquid bridge forces were almost 50–50. Furthermore, effects of liquid content and viscosity on particle granular temperature and velocity were explored. The experimental and numerical simulation results might provide theoretical guidance for reactor design and further investigation on particle flow behaviors with cohesive liquid.

研究领域: 化学工程 · 颗粒技术 · 多相流 · 过程工程 · 计算流体力学 · 粉体工程 · 反应器设计
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