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Modeling of dynamic bubble deformation and breakup in T-junction channel flow T 型交汇水道流中气泡动态变形和破裂的建模
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-03 DOI: 10.1016/j.ces.2024.120579

Bubble deformation and breakup due to strain-rate-induced stress is investigated for a laminar flow configuration. The bubble shape is assumed to be a prolate ellipsoid. A new model for bubble deformation under dynamic load is introduced in the form of an ordinary differential equation for the deformation energy. Breakup is identified with a critical value of the deformation. As an application case, the flow in a joining T-junction is considered with the ratio of the volume flow rate being unity and the outflow Reynolds number being 1800. Dilute, dispersed bubbles with a diameter of 0.5 mm are injected. High-speed shadowgraphy is used and bubble parameters are evaluated via image processing. The capillary number is obtained from a single-phase flow simulation providing the instantaneous shear rate at the position of the bubble. The deformation resulting from the proposed model is then compared with the measured deformation for an exemplary bubble trajectory.

研究了层流构造中由于应变率引起的应力而导致的气泡变形和破裂。假定气泡的形状为椭圆形。以变形能量常微分方程的形式引入了动态载荷下气泡变形的新模型。破裂与变形的临界值有关。作为一个应用案例,考虑了连接 T 型交界处的流动,其体积流量比为 1,流出雷诺数为 1800。注入直径为 0.5 毫米的稀释分散气泡。使用高速阴影成像技术,通过图像处理评估气泡参数。毛细管数是通过提供气泡位置处瞬时剪切率的单相流模拟获得的。然后,将拟议模型产生的变形与测量到的典型气泡轨迹变形进行比较。
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引用次数: 0
Ammonia-regulated dynamic evolution of Ti precursor incorporating into dealuminized beta for efficient 1-Hexene epoxidation 受氨调节的钛前驱体动态演化掺入脱铝β,实现高效的 1-己烯环氧化反应
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-03 DOI: 10.1016/j.ces.2024.120594

Demetalation-metalation method has gained prominence for its higher metal loading, efficiency and shortened synthetic period, particularly in the incorporation of metal atoms with large radii into zeolite framework in recent years. An ammonia-regulated approach has been developed for selectively evolved deep-substituted Ti precursors in dealuminized beta zeolites, which enables a controlled promotion of metalation of Ti atoms. Additionally, this ammonia-regulated approach could also enhance 1-hexene kinetic adsorption by constructing mesopores, which is demonstrated by the lower reaction order of 1-hexene. The synthesized ammonia-regulated N-Ti-beta exhibits rich framework Ti species and a high specific surface area, leading to significantly improved 1-hexene epoxidation performance (conversion of 61%, selectivity of 98%, and a high H2O2 utilization efficiency of 93%). This study not only provides a new strategy to dynamically regulate evolution of Ti precursors by ammonia but also holds promise for advancing related industrial processes in demetalation-metalation methods.

脱金属-金属化方法因其较高的金属负载量、效率和较短的合成周期而备受瞩目,特别是近年来在将大半径金属原子纳入沸石框架方面。目前已开发出一种氨调节方法,用于在脱铝 beta 沸石中选择性地进化深取代 Ti 前体,从而有控制地促进 Ti 原子的金属化。此外,这种氨调节方法还能通过构建介孔增强对 1-己烯的动力学吸附,1-己烯的较低反应阶数就证明了这一点。合成的氨调控 N-Ti-beta 具有丰富的框架 Ti 物种和较高的比表面积,从而显著提高了 1- 己烯的环氧化性能(转化率达 61%,选择性达 98%,H2O2 利用率高达 93%)。这项研究不仅为氨动态调节钛前驱体的演化提供了一种新策略,而且有望推动脱金属-金属化方法中相关工业流程的发展。
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引用次数: 0
Numerical simulation study of the influence of stirred vessel structure on particle suspension characteristics in dilute solutions 稀溶液中搅拌容器结构对颗粒悬浮特性影响的数值模拟研究
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-02 DOI: 10.1016/j.ces.2024.120587

The Euler-Euler/RANS approach is used to simulate the particle suspension in solid–liquid stirred vessels, with experimental validation conducted through the Electrical Sensing Zone Method (ESZ). An innovative evaluation method is introduced to quantify the critical impeller speed Nc required for particles to achieve a specific uniform suspension state in dilute solutions. The impact of different vessel bottom shapes (flat, round, and W-shaped) on particle suspension characteristics is examined. The results indicate that optimizing the bottom shape to align with flow streamlines markedly enhances particle suspension, a conclusion supported by the Online Micro-sized Particle Analyzer (OMiPA). Further analysis shows baffle configurations transform tangential and axial velocities into radial velocity, which is not conducive to providing initial conditions for particle suspension. Overall, effective particle suspension relies on the interaction between main flow and turbulent fluctuations, with tangential and radial flows playing critical roles.

采用欧拉-欧拉/RANS 方法模拟固液搅拌容器中的颗粒悬浮,并通过电感区法(ESZ)进行实验验证。引入了一种创新的评估方法,用于量化颗粒在稀溶液中达到特定均匀悬浮状态所需的临界叶轮速度。研究了不同容器底部形状(扁形、圆形和 W 形)对颗粒悬浮特性的影响。结果表明,优化底部形状,使其与流动流线保持一致,可显著增强颗粒悬浮效果,在线微小颗粒分析仪(OMiPA)也支持这一结论。进一步的分析表明,挡板配置将切向速度和轴向速度转化为径向速度,不利于为颗粒悬浮提供初始条件。总之,有效的颗粒悬浮取决于主流和湍流波动之间的相互作用,其中切向流和径向流起着关键作用。
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引用次数: 0
Experimental investigation and CFD study of direct reduction of iron ore in the conical fluidized bed 锥形流化床中铁矿石直接还原的实验调查和 CFD 研究
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-02 DOI: 10.1016/j.ces.2024.120586

The reduction behavior of iron ore is the fundamental process in ferrous metallurgy. Considering the gas–solid interface-structure relationship, heterogeneous transfer-reaction behavior, and multiple reaction kinetics, this work provides an effective analytical tool to investigate the fluidized reduction of iron ore. The conical fluidized bed is numerically examined to be capable of preventing de-fluidization induced by the sticking behavior, due to the steady circulation of flow pattern and full fluidization of coarse agglomerates. Compared with the hydrogen concentration, the gas velocity shows a stronger influence on the agglomerate reduction rate for the more efficient gas–solid contact. For the simulated transitions of Fe2O3 → Fe3O4 → Fe(1-x)O → Fe are assumed to overlap each other, there exist discrepancies between computed and theoretical reduction degrees. The experimental and numerical findings can be used to develop a methodology for optimizing the operational complexity and economic benefits of the fluidized reduction of iron ore.

铁矿石的还原行为是黑色冶金的基本过程。考虑到气固界面结构关系、异质传递-反应行为和多重反应动力学,本研究为研究铁矿石的流化还原提供了有效的分析工具。通过数值研究发现,锥形流化床由于流型稳定循环和粗大团聚体的充分流化,能够防止由粘滞行为引起的去流化。与氢浓度相比,气速对团聚体减少率的影响更大,因为气固接触更有效。对于假设相互重叠的 Fe2O3 → Fe3O4 → Fe(1-x)O → Fe 的模拟转变,计算值与理论还原度之间存在差异。实验和数值结果可用于制定优化铁矿石流态化还原操作复杂性和经济效益的方法。
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引用次数: 0
Effect of physicochemical properties on critical sinking and attachment of respirable coal mine dust impacting on a water surface 物理化学特性对冲击水面的可吸入煤矿粉尘临界下沉和附着的影响
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-02 DOI: 10.1016/j.ces.2024.120588

Respirable coal mine dust (RCMD) inhalation is identified as the main cause of the resurgence of coal worker’s pneumoconiosis (CWP) since the mid-1990s. At present, the predominant dust control technology is the water spray system. However, in practice, the capture efficiency of RCMD by this technology is relatively low. To understand the capturing mechanism and develop improvement strategies, this research is focused on the surface chemistry study of RCMD and its impact on a water surface using a dynamic model. Proximate analysis, chemical, and mineral composition of a run-of-mine (ROM) coal sample from Appalachian region were analyzed using a proximate analyzer, Inductively Coupled Plasma Mass Spectrometry (ICP-MS), and X-ray Diffraction (XRD), respectively. Contact angles were measured by capillary rise test using the Washburn equation. Based on the dynamic model, the effects of particle size, density, contact angle, and surface tension on the critical sinking were investigated. It was pointed out in this work that reducing surface tension, in turn, decreases contact angle, which has been neglected in the literature. Regime maps for different minerals were created and showed that organic matter has the highest critical velocity due to its low density and high contact angle. Reducing water surface tension to the critical solid surface tension of coal around 30 mN/m could maximize the attachment efficiency. Scaling laws, constructed by force balance, led to the criteria of critical sinking: Ucr61-cosθ2D+1γlvρlR, i.e., Wecr121-cosθ2D+1. A semi-empirical formula for critical velocity was obtained by fitting the simulation data, Ucr=1.0961-cosθ2D+1γlvρlR. Attachment efficiency was defined and formu

自 20 世纪 90 年代中期以来,吸入可吸入煤矿粉尘(RCMD)被认为是煤矿工人尘肺病(CWP)复发的主要原因。目前,最主要的粉尘控制技术是喷水系统。但实际上,这种技术对 RCMD 的捕获效率相对较低。为了解捕集机理并制定改进策略,本研究利用动态模型重点研究 RCMD 的表面化学性质及其对水面的影响。使用近似分析仪、电感耦合等离子体质谱仪(ICP-MS)和 X 射线衍射仪(XRD)分别分析了阿巴拉契亚地区矿井采出煤(ROM)样本的近似分析、化学成分和矿物成分。毛细管上升试验采用沃什伯恩方程测量接触角。根据动态模型,研究了粒度、密度、接触角和表面张力对临界沉降的影响。这项工作指出,降低表面张力反过来会减小接触角,而这一点在文献中一直被忽视。绘制了不同矿物质的状态图,结果表明,有机物由于密度小、接触角大,临界速度最高。将水的表面张力降低到煤的临界固体表面张力 30 mN/m 左右可以最大限度地提高附着效率。通过力平衡构建的缩放定律得出了临界下沉的标准:Ucr∼61-cosθ2D+1γlvρlR,即 Wecr∼121-cosθ2D+1。通过拟合模拟数据,得到了临界速度的半经验公式:Ucr=1.0961-cosθ2D+1γlvρlR。附着效率的定义和公式为 Pa=U02Ucr2=We0Wecr,从而建立了附着效率与 RCMD 和水滴的物理化学特性之间的关系。
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引用次数: 0
A novel intermediate heat exchange intensified extractive pressure-swing distillation process for efficiently separating n-hexane-tetrahydrofuran-ethanol 高效分离正己烷-四氢呋喃-乙醇的新型中间热交换强化萃取压摆蒸馏工艺
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-08-02 DOI: 10.1016/j.ces.2024.120593

The new intensified strategy can be used in special distillation processes to achieve energy savings. Through analyzing the influence of different extractants and pressure on the separation performance of n-hexane-tetrahydrofuran-ethanol. system, extractive pressure-swing distillation process (EPSD) using dimethyl sulfoxide as extractant was proposed. Multi-objective optimization was performed to definite the best operating parameters of EPSD. Based on the phenomenon that the temperature of high-temperature column top is lower than low-temperature column bottom, making it impossible to perform traditional thermal integration, an intermediate heat exchange intensified process (IHE-EPSD) was developed. The performance influencing factors and heat exchange network of IHE-EPSD were analyzed to obtained the optimal IHE-EPSD process. Three heat integration schemes of the IHE-EPSD were designed to further save energy consumption. Finally, the processes were assessed from economy, energy, environment and exergy. The results indicate that the IHE-EPSD process exhibits excellent separation performance, achieving the efficient separation of n-hexane-tetrahydrofuran-ethanol.

新的强化策略可用于特殊蒸馏工艺,以实现节能。通过分析不同萃取剂和压力对正己烷-四氢呋喃-乙醇体系分离性能的影响,提出了以二甲亚砜为萃取剂的萃取压摆蒸馏工艺(EPSD)。通过多目标优化,确定了 EPSD 的最佳操作参数。根据高温塔顶温度低于低温塔底温度,无法进行传统热集成的现象,开发了中间热交换强化工艺(IHE-EPSD)。通过分析 IHE-EPSD 的性能影响因素和热交换网络,获得了最佳的 IHE-EPSD 工艺。设计了 IHE-EPSD 的三种热集成方案,以进一步节约能源消耗。最后,从经济、能源、环境和放能等方面对流程进行了评估。结果表明,IHE-EPSD 工艺具有优异的分离性能,实现了正己烷-四氢呋喃-乙醇的高效分离。
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引用次数: 0
Amphiphilic super-macroporous cryogel particles for the high-efficiency separation of bio-butanol using a fixed-bed method 利用固定床法高效分离生物丁醇的两性超大孔冰凝胶颗粒
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.ces.2024.120581

Bio-butanol as a renewable energy can be produced through biomass fermentation. Among these, the adsorption-based technique is the most energy-efficient. However, the adsorption of small amounts of butanol from the aqueous phase remains a challenge. In this work, poly (methyl methacrylate)-based (PMMA) cryogel particles with tunable polarity and a super-macroporous structure were prepared by combining a simple dropping method and sulfolane freeze casting. The maximum adsorption capacities of the PMMA cryogel particles using the batch shaking and fixed-bed were 520.2 and 1442.2 mg/g, respectively. Adsorption rate constant of amphiphilic cryogel particles increased by approximately 9–40 times compared with PMMA cryogel particles. Adsorption capacity of the PMMA-based cryogel particles was maintained at 99 % of the initial adsorption capacity after 10 cycles. This study presented a strategy for the design of adsorbents with super-macroporous structures and hydrophilic modification to facilitate the adsorption of hydrophobic butanol from the aqueous phase system.

生物丁醇作为一种可再生能源,可通过生物质发酵生产。其中,以吸附为基础的技术最为节能。然而,从水相吸附少量丁醇仍是一项挑战。本研究采用简单滴注法和磺烷冷冻铸造法制备了极性可调、具有超大孔结构的聚(甲基丙烯酸甲酯)基(PMMA)冷凝胶颗粒。采用间歇振荡法和固定床法制备的 PMMA 冷凝胶颗粒的最大吸附容量分别为 520.2 和 1442.2 mg/g。两亲性低温凝胶颗粒的吸附速率常数比 PMMA 低温凝胶颗粒提高了约 9-40 倍。基于 PMMA 的低温凝胶颗粒的吸附容量在 10 次循环后仍保持在初始吸附容量的 99%。本研究提出了一种设计具有超大孔结构和亲水改性的吸附剂的策略,以促进水相体系对疏水性丁醇的吸附。
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引用次数: 0
Pyrolysis-gasification conversion of waste pharmaceutical blisters: Thermo-kinetic and thermodynamic study, fuel gas analysis and machine learning modeling 废医药泡罩的热解-气化转化:热动力学和热力学研究、燃料气体分析和机器学习建模
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.ces.2024.120583

It delved into the pyrolysis-gasification behavior of waste pharmaceutical blisters (WPBs), exploring both kinetics and thermodynamics, and employing machine learning modeling. The decomposition of WPBs occurred in three stages, with temperature intervals of 140–350, 350–500, and 500–900 °C, respectively. Cyclization/aromatization reactions were hindered, as indicated by mass spectrometric analysis, which revealed the main evolved products, including CxHy, CH3OH, CH4, and H2. Apparent activation energy values obtained from FWO, KAS, Friedman, Cai & Chen models were comparable, showing a decreasing trend ranging from 264.9 to 48.4 kJ mol−1 at α ≤ 0.70, followed by a subsequent increase to 283.1 kJ mol−1 at a conversion of 0.80. The D1 model was more reliable in describing the pyrolysis-gasification process of WPBs. Machine learning modeling results indicated that the ANN19 with a topology structure of 5 ∗ 15 ∗ 1 and genetic programming models showed superior performance in predicting TG data.

它深入研究了废弃药用泡罩(WPBs)的热解-气化行为,探索了动力学和热力学,并采用了机器学习建模。WPB 的分解过程分为三个阶段,温度区间分别为 140-350、350-500 和 500-900°C。从 FWO、KAS、Friedman、Cai & Chen 模型得到的表观活化能值具有可比性,在 α ≤ 0.70 时呈现出从 264.9 到 48.4 kJ mol 的下降趋势,随后在转化率为 0.80 时上升到 283.1 kJ mol。D1 模型更可靠地描述了可湿性粉剂的热解-气化过程。机器学习建模结果表明,拓扑结构为 5 ∗ 15 ∗ 1 的 ANN19 模型和遗传编程模型在预测 TG 数据方面表现出色。
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引用次数: 0
Optimization of exergy destruction minimization in moving bed heat exchanger with airflow-assisted cooling 优化气流辅助冷却移动床热交换器的能耗最小化
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.ces.2024.120582

Introducing cooling airflow is an effective method for achieving the localized cooling rate required during waste heat recovery of blast furnace slag. However, the associated parasitic loads must be considered. This study investigates moving bed heat exchanger with airflow-assisted cooling from an exergy perspective. The effects of the granular side Peclet number, airflow side Reynolds number, and the height ratio of the airflow section on heat loss, exergy destruction, and its distributions were examined experimentally. The results show that the trends of temperature and pressure exergy destruction with each parameter tend to be opposite. Therefore, optimizing the parameters requires a trade-off between different types of destruction. Additionally, reducing exergy destruction while meeting the cooling rate requirement was considered. The optimal parameter set was determined by taking the cooling rate requirement as a constraint and minimizing the dimensionless temperature and pressure exergy destruction to obtain the Pareto front.

在高炉炉渣余热回收过程中,引入冷却气流是实现所需的局部冷却率的有效方法。然而,必须考虑相关的寄生负载。本研究从放热角度研究了气流辅助冷却的移动床热交换器。实验研究了颗粒侧佩克莱特数、气流侧雷诺数和气流段高度比对热损失、放热破坏及其分布的影响。结果表明,温度和压力放能破坏随各参数变化的趋势往往相反。因此,优化参数需要权衡不同类型的破坏。此外,还考虑了在满足冷却速率要求的同时减少放能破坏。最优参数集的确定是以冷却速率要求为约束条件,并使无量纲温度和压力放热破坏最小化,从而获得帕累托前沿。
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引用次数: 0
Pyrolysis conversion of multi-layer packaging waste under a CO2 atmosphere: Thermo-kinetic study, evolved products analysis and artificial neural networks modeling 多层包装废弃物在二氧化碳气氛下的热解转化:热动力学研究、演化产物分析和人工神经网络建模
IF 4.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2024-07-31 DOI: 10.1016/j.ces.2024.120584

Packaging waste such as beverage carton forms a significant part of municipal solid waste and its pyrolysis behavior, kinetics, and thermodynamics were studied. A four-stage decomposition process was revealed: dehydration below 200 ℃, paperboard degradation at 200–400 ℃, polyethylene devolatilization at 400–550 ℃, and inorganic decomposition at 550–900 ℃. The evolved products included furans and acetic acid during stage II, followed by the presence of 2-butene and 1-pentene in the subsequent stage. Apparent activation energy (Ea) were determined using model-free models, revealing a notable level of comparability among these results. The average Ea was 123.6 kJ/mol within α range of 0.10–0.60, increasing to 233.3 kJ/mol beyond that range. The most probable reaction mechanism was determined, with the one-dimensional model proving more reliable. An artificial neural network model was developed to predict the thermal degradation. The selected topology of 5*15*1 displayed a robust ability to predict the thermal data.

饮料纸盒等包装废弃物是城市固体废弃物的重要组成部分,研究人员对其热解行为、动力学和热力学进行了研究。研究揭示了一个四阶段分解过程:200 ℃ 以下脱水,200-400 ℃ 纸板降解,400-550 ℃ 聚乙烯脱溶,550-900 ℃ 无机物分解。第二阶段的挥发产物包括呋喃和乙酸,随后阶段出现了 2-丁烯和 1-戊烯。使用无模型模型测定了表观活化能(Ea),发现这些结果之间具有显著的可比性。在 0.10-0.60 的 α 范围内,平均 Ea 为 123.6 kJ/mol,超过该范围后,平均 Ea 增至 233.3 kJ/mol。确定了最可能的反应机理,一维模型证明更为可靠。建立了一个人工神经网络模型来预测热降解。所选的 5*15*1 拓扑显示出预测热数据的强大能力。
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引用次数: 0
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