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Particle morphology effects on conversion and reaction rate of copper chloride hydrolysis for thermochemical hydrogen production 颗粒形态对氯化铜水解热化学制氢转化率和反应速率的影响
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-27 DOI: 10.1016/j.cherd.2026.01.055
H.M. Radwan , K. Pope , K.A. Hawboldt , G.F. Naterer
This study investigates the hydrolysis process of the thermochemical copper-chlorine (Cu-Cl) cycle of hydrogen production, specifically the influence of CuCl₂ particle morphology and size on conversion and reaction rates. Effects of drying, crushing, and crystallization of particles are considered. CuCl₂ samples with average particle diameters of 95 µm (dried), 27 µm (crushed), and 230 µm (crystallized) were tested in a semi-batch fixed bed reactor at 390°C. Crystallization using HCl as an anti-solvent yielded flaky agglomerated particles and achieved up to 97 % conversion, outperforming dried material and closely matching the crushed sample. Kinetic modelling with a shrinking core model (SCM), for both spherical and cylindrical geometries, identified gas film diffusion as the dominant resistance for the smallest sizes of crushed and crystallized particles. X-ray diffraction indicated the formation of CuCl as a side product. The findings established crystallization as a promising approach to facilitate the hydrolysis process.
本研究考察了热化学铜氯(Cu-Cl)循环制氢的水解过程,特别是CuCl₂颗粒形态和大小对转化和反应速率的影响。考虑了干燥、破碎和颗粒结晶的影响。CuCl₂样品的平均粒径分别为95 µm(干燥)、27 µm(粉碎)和230 µm(结晶),在半间歇固定床反应器中390℃下进行测试。用HCl作为反溶剂进行结晶,得到片状团聚颗粒,转化率高达97% %,优于干燥材料,与粉碎样品紧密匹配。采用收缩核模型(SCM)对球形和圆柱形几何形状进行动力学建模,确定气膜扩散是最小尺寸破碎和结晶颗粒的主要阻力。x射线衍射表明CuCl的形成是一个副产物。研究结果表明,结晶是促进水解过程的一种有前途的方法。
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引用次数: 0
Study on evaluation method of drilling fluid-salt formation interaction based on radial flow equivalence 基于径向流等效的钻井液-盐地层相互作用评价方法研究
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-23 DOI: 10.1016/j.cherd.2026.01.041
Yuan He, Li Kang, Rong Li, Tong Cheng, Fu Li, Bo Yang
During the processes of drilling fluid circulation and cementing operation, the working fluid in the wellbore annulus mainly exhibits axial flow. Traditional large-scale axial flow simulation devices, such as horizontal well drilling fluid sand-carrying devices, can relatively truly reproduce the flow state of working fluid. However, they have problems including large volume, high cost, and inconvenience in operation and maintenance, which result in low utilization rate in conventional experiments. To date, no dedicated device has been developed for the simulation of axial flow by means of radial flow. This study proposes a new method that uses radial flow to simulate axial flow, aiming to evaluate the performance changes of oil and gas field working fluid when it flows through salt formations, as well as the effects of erosion and contamination on salt formations caused by the working fluid. It conducts research on the interaction method with working fluid as the subject and salt formation as the object, deduces the equivalent semi-theoretical formula between radial flow and axial flow under the conditions of shear rate and contact area, and develops a set of simulation experimental devices. The innovation of this study does not lie in the radial flow equivalence principle itself, but in its specific application to the solid-liquid coupling of drilling fluid-salt formation and the full-chain simulation of erosion-dissolution-contamination in salt formations. Taking laboratory experiments as an example, after 120 min of erosion on the salt formation by two drilling fluid systems (DSP and JHJS) optimized through this evaluation method, the variation range of rheological properties and fluid loss performance is 5%–10%, the dissolution depth of the salt formation is tiny, and the surface morphology remains unchanged. This method can provide an operable experimental means for the evaluation of drilling fluid salt resistance and the optimization of drilling formulas for salt formations. It also has guiding significance in practical construction, as it can realize cycle optimization in both deep wells and medium-shallow wells, and provide reliable technical support for the design and on-site application of drilling fluid systems under complex well conditions.
在钻井液循环和固井作业过程中,井筒环空的工作流体主要表现为轴向流动。传统的大型轴流模拟装置,如水平井钻井液携砂装置,可以比较真实地再现工作流体的流动状态。但存在体积大、成本高、操作维护不方便等问题,在常规实验中利用率较低。到目前为止,还没有研制出用径向流模拟轴向流的专用装置。本研究提出了一种利用径向流模拟轴向流的新方法,旨在评估油气田工作液流过盐层时的性能变化,以及工作液对盐层的侵蚀和污染影响。研究了以工质流体为主体,以盐层为对象的相互作用方法,推导了剪切速率和接触面积条件下径向流与轴向流的等效半理论公式,研制了一套模拟实验装置。本研究的创新之处不在于径向流动等效原理本身,而在于将其具体应用于钻井液-盐地层固液耦合以及盐地层侵蚀-溶蚀-污染全链模拟。以室内实验为例,通过该评价方法优化的两种钻井液体系(DSP和JHJS)对盐层进行120 min的侵蚀后,其流变性能和滤失性能的变化范围为5% ~ 10%,盐层溶解深度很小,表面形貌保持不变。该方法可为盐层钻井液抗盐性评价和钻井配方优化提供一种可操作的实验手段。在实际施工中具有指导意义,可实现深井和中浅井的循环优化,为复杂井况下钻井液体系的设计和现场应用提供可靠的技术支持。
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引用次数: 0
Effect of pore space characteristics of natural rocks on the dynamic adsorption of oil-soluble catalyst under various transport and reaction conditions 天然岩石孔隙空间特征对不同运输和反应条件下油溶性催化剂动态吸附的影响
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-11 DOI: 10.1016/j.cherd.2026.02.027
T.R. Zakirov, A.S. Khayuzkin, L.M. Mannapova, M.A. Varfolomeev
Catalysts are chemical reagents used to intensify steam-thermal treatment of unconventional hydrocarbon reserves and helps to upgrade the properties of high-viscosity and bituminous oils. The catalyst has the ability to adsorb on solid surfaces. This paper presents the systematical pore-scale numerical study of the combined effect of the pore space characteristics, convective-diffusion, and reaction conditions on the dynamic adsorption of an oil-soluble catalyst. The novelty lies in the large statistics (25 samples and 300 simulations) based on natural digital rocks cores, revealing a non-monotonic controlling mechanism of dynamic adsorption. This mass transfer phenomenon is studied for the first time in rocks with a natural origin of the pore space, represented by a collection of 25 digital sandstone models obtained using X-ray computed tomography. The primary objective is to identify new dynamic adsorption regimes in the dependence on the properties of the natural rocks, the Peclet and Damkohler numbers, and to reveal their role on the adsorbed concentration distribution on the particle surface. The research methodology is based on numerical modeling performed on a digital pore space using the lattice Boltzmann method. It has been established that the effect of pore space characteristics significantly depends on the reaction rate. A non-monotonic relationship between the reaction rate and the power of the effect of sample properties has been discovered and the maximum effect of sample characteristics has been found at intermediate reaction rates. The transition from the convective to the diffusion regime, caused only by the diffusion coefficient, weakens the influence of sample properties on the adsorbed amount, but the revealed effect is not strong. The Peclet and Damkohler numbers influence the probability distribution functions of the adsorbed concentration and its distribution along sample length. A transition from a reaction-limited to a mass-transfer-limited mode tends to increase the standard deviation of the probability distribution function and to the uneven distribution of the adsorbed concentration along sample size. Increasing the Peclet number results in a more uniform distribution of the adsorbed concentration. The identified size of a representative elementary volume for estimating the adsorbed amount is approximately 1 mm.
催化剂是一种化学试剂,用于加强非常规油气储量的蒸汽热处理,有助于提高高粘度和沥青油的性能。催化剂具有在固体表面吸附的能力。本文系统地研究了孔隙空间特征、对流扩散和反应条件对油溶性催化剂动态吸附的综合影响。新颖之处在于基于天然数字岩心的大统计(25个样本和300个模拟),揭示了动态吸附的非单调控制机制。这种传质现象首次在具有天然孔隙空间起源的岩石中进行了研究,由使用x射线计算机断层扫描获得的25个数字砂岩模型集合表示。主要目的是确定依赖于天然岩石性质的新的动态吸附机制,Peclet和Damkohler数,并揭示它们对颗粒表面吸附浓度分布的作用。研究方法是基于使用晶格玻尔兹曼方法在数字孔隙空间上进行的数值模拟。研究表明,孔隙空间特征对反应速率的影响很大。发现了反应速率与样品性质影响强度之间的非单调关系,并发现在中间反应速率下样品特性的影响最大。仅由扩散系数引起的对流态向扩散态的转变,减弱了样品性质对吸附量的影响,但显示的影响不强。Peclet数和Damkohler数影响吸附浓度的概率分布函数及其沿样品长度的分布。从反应限制模式到传质限制模式的转变往往会增加概率分布函数的标准差,并使吸附浓度沿样本量的分布不均匀。增加Peclet数可使吸附浓度分布更均匀。确定的用于估计吸附量的代表性基本体积的大小约为1 mm。
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引用次数: 0
Efficient separation of HFE-7100/ isopropyl alcohol azeotropic system using ionic liquids: Experimental, thermodynamic model, and process optimization 离子液体高效分离HFE-7100/异丙醇共沸体系:实验、热力学模型和工艺优化
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-17 DOI: 10.1016/j.cherd.2026.02.044
Xiaoyi Song , Hongfei Guo , Yun Li , Jilin Cao , Wei Feng
To achieve efficient separation of the methyl perfluoroisobutyl ether (HFE-7100)/isopropyl alcohol (IPA) azeotropic system, this study systematically measured vapor-liquid equilibrium (VLE) data for the binary (HFE-7100/IPA) and ternary (HFE-7100/IPA/IL) systems, and evaluated the separation efficiency of three types of ionic liquids (ILs) as entrainers: [BMIM][OAC], [EMIM][OAC], and [EMIM][DCA]. The thermodynamic consistency of the experimental data was validated using the Herington method. Based on this, the experimental data were employed to regress parameters for the thermodynamic models (NRTL, Wilson, and UNIQUAC), and the ARD of each model was calculated. Through comprehensive comparison, the NRTL model was found to exhibit the smallest ARD value (1.99 %), demonstrating high precision and reliability. Among the three ILs, [BMIM][OAC] and [EMIM][OAC] displayed outstanding separation performance. Even at low mole fractions (x3 = 0.05), they effectively eliminated the azeotropic behavior of the binary system. In contrast, [EMIM][DCA] required a higher IL mole fraction (x3 = 0.08) to achieve the same effect. Using Aspen Plus with the sequential modular approach, we optimized the process parameters for both extractive distillation and pressure-swing distillation. This optimization minimized the TAC for each process while maintaining equivalent separation performance. The extractive distillation process achieved a 45.1 % reduction in TAC compared to pressure-swing distillation.
为了实现甲基全氟异丁基醚(HFE-7100)/异丙醇(IPA)共沸水体系的高效分离,本研究系统地测量了二元(HFE-7100/IPA)和三元(HFE-7100/IPA/IL)体系的气液平衡(VLE)数据,并评价了三种离子液体(ILs)作为夹带剂的分离效率:[BMIM][OAC], [EMIM][OAC], [EMIM][DCA]。用Herington方法验证了实验数据的热力学一致性。在此基础上,利用实验数据对三种热力学模型(NRTL、Wilson和UNIQUAC)的参数进行回归,计算各模型的ARD。综合比较发现NRTL模型的ARD值最小(1.99 %),具有较高的精度和可靠性。在三种il中,[BMIM][OAC]和[EMIM][OAC]表现出优异的分离性能。即使在低摩尔分数(x3 = 0.05)下,它们也有效地消除了二元体系的共沸行为。相比之下,[EMIM][DCA]需要更高的IL摩尔分数(x3 = 0.08)才能达到相同的效果。利用Aspen Plus与顺序模块化方法,我们优化了萃取精馏和变压精馏的工艺参数。这种优化最小化了每个过程的TAC,同时保持了等效的分离性能。与变压蒸馏相比,萃取精馏工艺的TAC降低了45.1% %。
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引用次数: 0
Solution of deterministic optimization tasks for biological processes in bioreactor: Single and multi-objective approach 生物反应器中生物过程确定性优化任务的求解:单目标和多目标方法
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-16 DOI: 10.1016/j.cherd.2026.02.042
Robert Piotrowski, Tomasz Ujazdowski, Michał Kolankowski
This paper addresses the optimisation of control strategies in a sequencing batch reactor (SBR) wastewater treatment plant (WWTP). A dynamic process model was developed using the activated sludge model no. 2d (ASM2d) and a data-based aeration model, calibrated with measurements from the Swarzewo WWTP. The main objective was to optimise key operational parameters: aerobic and anaerobic phase durations, the number of aeration phases in a cycle, and the reference dissolved oxygen concentration (DOref), to improve nutrient removal efficiency and reduce aeration energy consumption. Deterministic optimisation algorithms such as sequential quadratic programming (SQP), branch and bound (B&B), and direct multisearch (DMS) were employed, while grey relational analysis (GRA) was used as a decision-making tool to evaluate trade-offs in the multi-objective setting. A backstepping controller was designed to track the optimised DOref trajectory generated by a heuristic supervisory controller. Simulation results confirm that the proposed approach enhances treatment performance while reducing the specific aeration energy consumption by up to 45%, depending on the influent loading scenario. Under high-load conditions, the approach further improves total nitrogen and phosphorus removal efficiencies by 6.8 and 2.2 percentage points, respectively.
研究了序批式反应器(SBR)污水处理厂控制策略的优化问题。采用活性污泥模型建立了动态过程模型。2d (ASM2d)和基于数据的曝气模型,使用Swarzewo污水处理厂的测量数据进行校准。主要目标是优化关键操作参数:好氧和厌氧阶段持续时间,一个循环中的曝气阶段数量,以及参考溶解氧浓度(DOref),以提高营养物去除效率并降低曝气能耗。采用确定性优化算法,如顺序二次规划(SQP),分支定界(B&;B)和直接多搜索(DMS),而灰色关联分析(GRA)被用作决策工具来评估多目标设置中的权衡。设计了一种回溯控制器来跟踪启发式监督控制器生成的最优DOref轨迹。模拟结果证实,所提出的方法提高了处理性能,同时减少了高达45%的比曝气能耗,具体取决于进水负荷情况。在高负荷条件下,该方法进一步提高了总氮和总磷的去除效率,分别提高了6.8和2.2个百分点。
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引用次数: 0
Enhanced size-split flotation of sulphide tailings: Mechanical, HydroFloat™, REFLUX ™ flotation benchmarking 强化硫化物尾矿的粒度分离浮选:机械,HydroFloat™,回流™浮选基准
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-15 DOI: 10.1016/j.cherd.2026.01.025
Richel Annan Dadzie , Massimiliano Zanin , William Skinner , Richmond Asamoah , Jonas Addai-Mensah , George Blankson Abaka-Wood
Reprocessing copper flotation tailings is limited by particle-size effects and mineralogical challenges, especially poor liberation. Preliminary studies aimed at recovering copper minerals from complex, low-grade rougher flotation tailings have shown limited success, with values within the intermediate particle size range (-150 +53 µm) failing in conventional mechanical flotation cells. To improve copper recovery, the current study employs a flowsheet that uses Hydrofloat ™ fluidised-bed flotation on the deslimed + 53 µm fraction, considers the REFLUX ™ Flotation Cell (RFC) for the (-53µm) slimes, and compares performance against a Denver mechanical cell. Flotation performance (recovery, grade, size-by-size) was combined with data from Quantitative Evaluation of Minerals by Scanning Electron Microscopy (QEMSCAN), including liberation and locking statistics, to explain the flotation response observed. At similar mass pull (29.3–33 %), Hydrofloat ™ achieved 61.8 % Cu recovery at 0.74 % Cu (upgrade ratio 3.44), outperforming the mechanical flotation cell (44. 6 % Cu at 0. 10 % Cu grade; upgrade ratio 0.6) when processing the deslimed feed, rather than the whole (unsplit) tailings feed. Preliminary RFC tests on the - 53 µm stream maintained high recoveries of fine particles (often >80 %) with improved Cu concentrate grades, aligning with the presence of well-liberated chalcopyrite in slimes. Overall, the results support a split-flotation process for complex copper low grade ores. Although liberation ultimately limits recovery this integrated method significantly enhances copper recovery and upgrade relative to conventional mechanical cells, offering a practical route to unlock value from low-grade sulphide tailings.
铜浮选尾矿的再处理受到粒度效应和矿物学挑战的限制,尤其是解离性差。从复杂的、低品位的粗细浮选尾矿中回收铜矿物的初步研究表明,在常规机械浮选池中,在中等粒度范围内(-150 +53 µm)的数值是失败的。为了提高铜的回收率,目前的研究采用了一个流程,在脱泥+ 53 µm部分使用Hydrofloat™流化床浮选,考虑了(-53µm)泥的REFLUX™浮选池(RFC),并将其性能与丹佛机械池进行了比较。浮选性能(回收率、品位、粒度)与QEMSCAN矿物定量评价(Quantitative Evaluation of Minerals by Scanning Electron Microscopy, QEMSCAN)的数据(包括解离和锁定统计)相结合,来解释观察到的浮选反应。在相同的质量拉力(29.3-33 %)下,Hydrofloat™的铜回收率为61.8 %,铜回收率为0.74 %(升级比3.44),优于机械浮选池(44)。6 % Cu at 0。10 % Cu品位;在处理脱泥料时升级比0.6),而不是处理整个(未分裂)尾矿料。在- 53 µm流上进行的初步RFC测试保持了高细颗粒回收率(通常为>; 80% %),铜精矿品位提高,与泥中黄铜矿的充分释放一致。总体而言,研究结果支持对复杂低品位铜矿石进行分选浮选。尽管释放最终限制了铜的回收,但与传统的机械电池相比,这种集成方法显著提高了铜的回收和升级,为从低品位硫化物尾矿中释放价值提供了实用的途径。
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引用次数: 0
Superhydrophobic/superhydrophilic surfaces: Interfacial engineering for regulating bubble dynamics and acoustic signatures 超疏水/超亲水表面:调节气泡动力学和声学特征的界面工程
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-25 DOI: 10.1016/j.cherd.2026.01.049
Yuxin Wang , Jingting Liu
Surface wettability governs critical interfacial phenomena at the solid-liquid-gas three-phase boundary. It serves as a pivotal factor in regulating bubble dynamics, which in turn fundamentally dictates bubble acoustic emissions. However, despite this intrinsic link, a comprehensive synthesis elucidating the relationship between surface wettability and bubble acoustics remains absent, and the underlying mechanisms are yet to be fully understood. To address this gap, this paper systematically reviews state-of-the-art methodologies for engineering superhydrophobic (contact angle >150º) and superhydrophilic (contact angle <5º) surfaces via the synergistic combination of laser texturing and low-surface-energy chemical modification. It provides an in-depth elucidation of the physical mechanisms linking wettability gradients to the thermodynamics of bubble nucleation, the mechanics of directional transport, and the modulation of acoustic signatures. By identifying current challenges in wettability-driven bubble control, this study offers critical theoretical insights and innovative design concepts for advancing ship drag reduction and mitigating underwater noise, measures that are crucial for the conservation of marine ecosystems.
表面润湿性决定了固液气三相边界的关键界面现象。它是调节气泡动力学的关键因素,而气泡动力学又从根本上决定了气泡声发射。然而,尽管存在这种内在联系,但仍然没有全面综合阐明表面润湿性和气泡声学之间的关系,其潜在机制尚未得到充分理解。为了解决这一差距,本文系统地回顾了通过激光织构和低表面能化学修饰的协同结合,工程超疏水(接触角>;150º)和超亲水(接触角<;5º)表面的最新方法。它提供了一个深入阐明的物理机制,将润湿性梯度与气泡成核的热力学,定向输运的力学,和声学特征的调制。通过确定当前在润湿性驱动的气泡控制方面面临的挑战,本研究为推进船舶减阻和减轻水下噪声提供了关键的理论见解和创新的设计概念,这些措施对保护海洋生态系统至关重要。
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引用次数: 0
Honeycomb activated carbon/α-FeOOH catalyst: Construction of heterogeneous chemical and electrical Fenton for treating coking wastewater and dynamic practicality assessment 蜂窝活性炭/α-FeOOH催化剂:处理焦化废水的非均相化学Fenton和电Fenton的构建及动态实用性评价
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-24 DOI: 10.1016/j.cherd.2026.01.050
Lei Chen , Yuting Guo , Yanqiu Wang , Yin Tang , Hong Liu , Yixian Wang , Shuangyu Wang , Zishan Yin , Yong Li
Coking wastewater is an organic wastewater containing recalcitrant contaminants. If not treated properly, it poses a serious threat to public health and environment. In this study, a novel heterogeneous Fenton catalyst, honeycomb activated carbon (HAC)/α-FeOOH, was fabricated via an impregnation and calcination method, in which HAC served as a support matrix for immobilizing α-FeOOH. HAC/α-FeOOH exhibits notable process-intensification attributes, including broad pH adaptability (3−9), high efficiency, and practical applicability. In heterogeneous chemical Fenton, the removal rates of chemical oxygen demand (COD), NH₃-N, and color reached 89.3 %, 85 %, and 90 %, respectively. In the heterogeneous electrical Fenton (hetero-EF), the concentrations of COD and NH₃-N were both decreased to below the detection limit. The color removal efficiency reached 99 %. Kinetic analysis revealed that COD reduction followed first-order reaction kinetics. Both quenching experiments and electron paramagnetic resonance (EPR) spectra confirmed that the hydroxyl radicals (·OH) generated is the primary active substance for removing pollutants. Spectral analyses provided evidence of the effective degradation of heterocyclic and aromatic compounds. A miniaturized dynamic apparatus was constructed using HAC/α-FeOOH to mimic real industrial conditions. Over 48 h of continuous operation, the apparatus maintained excellent removal efficiency and stability, confirming the stable performance and practical application potential of HAC/α-FeOOH.
焦化废水是一种含有顽固性污染物的有机废水。如果处理不当,它会对公众健康和环境构成严重威胁。本研究以蜂窝活性炭(HAC)/α-FeOOH为载体,通过浸渍和煅烧法制备了一种新型非均相Fenton催化剂——蜂窝活性炭(HAC)/α-FeOOH。HAC/α-FeOOH具有明显的过程强化特性,包括广泛的pH适应性(3−9)、高效率和实用性。在非均相化学Fenton中,化学需氧量(COD)、NH₃-N和颜色的去除率分别达到89.3% %、85 %和90 %。在非均相电Fenton (hetero-EF)中,COD和NH₃-N的浓度均降至检测限以下。去色效率达到99% %。动力学分析表明,COD的还原符合一级反应动力学。猝灭实验和电子顺磁共振(EPR)谱都证实了所产生的羟基自由基(·OH)是去除污染物的主要活性物质。光谱分析提供了杂环和芳香族化合物有效降解的证据。采用HAC/α-FeOOH构建了模拟真实工业条件的小型动态装置。在48 h的连续运行时间内,装置保持了良好的去除率和稳定性,证实了HAC/α-FeOOH的稳定性能和实际应用潜力。
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引用次数: 0
Retraction notice to “Ethylenediamine-functionalized ZIF-8 for modification of chitosan-based membrane adsorbents: Batch adsorption and molecular dynamic simulation”, Chemical Engineering Research and Design, Volume 175, November 2021, Pages 131–145 “乙二胺功能化ZIF-8改性壳聚糖基膜吸附剂:批量吸附和分子动力学模拟”,《化学工程研究与设计》,第175卷,2021年11月,131-145页
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-11 DOI: 10.1016/j.cherd.2026.02.011
Mohammad Khajavian , Samaneh Shahsavarifar , Ehsan Salehi , Vahid Vatanpour , Majid Masteri-Farahani , Fahimeh Ghaffari , Seyed Ali Tabatabaei
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引用次数: 0
Intelligent design of distillation columns integrating detailed tray geometry using data-driven model 智能设计精馏塔集成详细的托盘几何使用数据驱动模型
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-17 DOI: 10.1016/j.cherd.2026.02.031
Chenguang Zhu , Kun Fang , Hai Wang , Rujun Wang , Nan Zhang , Robin Smith
Distillation is one of the most widely utilized unit operations in the process industry, associated with substantial capital and operational costs. Although systematic design methods exist, conventional approaches still rely on engineers' expertise, leading to inconsistent designs and inefficiencies, especially for repetitive distillation tasks. This research aims to address these challenges by proposing a smart design and optimization framework that leverages machine-learning techniques to reduce reliance on human intervention, thereby enhancing design quality, ensuring design consistency, and improving work and design efficiency. The key novelty lies developing automated framework for simultaneous optimization of column internals and tray efficiency prediction, eliminating the assumption-prediction gap that characterizes traditional sequential approaches, while enabling comprehensive design space exploration through data-driven models significantly reduce computational burden and make multi-variable optimization practically feasible. Moreover, with help of the data-driven models focusing on the optimization of column internals, particularly valve-tray columns, the proposed methodology tackles the complexity of multiple degrees of freedom and stringent hydraulic constraints through an integrated hybrid approach combining machine learning with detailed first-principles hydraulic correlations. By integrating distillation simulation results through data-driven models, rigorous hydraulic correlations, and detailed tray efficiency predictions, the framework ensures operational feasibility through comprehensive hydraulic constraint validation, including jet flooding, downcomer flooding, and weir loading limits. Application of this approach to an industrial valve-tray column for separating C4 hydrocarbons demonstrates good performance improvements. The optimized design achieves a 17 % reduction in Total Annualized Cost (TAC) compared to an industrial base case designed following conventional approaches across various investment scenarios while maintaining reasonable hydraulic performance and enhancing tray efficiency through systematic optimization of column internal design parameters, demonstrating the practical advantages of the automated framework over traditional experience-dependent methods.
蒸馏是过程工业中应用最广泛的单元操作之一,与大量的资本和操作成本相关。尽管存在系统化的设计方法,但传统方法仍然依赖于工程师的专业知识,导致设计不一致和效率低下,特别是对于重复的蒸馏任务。本研究旨在通过提出一个智能设计和优化框架来解决这些挑战,该框架利用机器学习技术来减少对人为干预的依赖,从而提高设计质量,确保设计一致性,提高工作和设计效率。关键的新颖之处在于开发自动化框架,同时优化塔内部和塔板效率预测,消除了传统顺序方法的假设-预测差距,同时通过数据驱动模型进行全面的设计空间探索,大大减少了计算负担,使多变量优化切实可行。此外,在数据驱动模型的帮助下,专注于优化塔架内部,特别是阀板塔架,该方法通过将机器学习与详细的第一性原理水力相关性相结合的综合混合方法,解决了多个自由度和严格的水力约束的复杂性。该框架通过数据驱动模型、严格的水力相关性和详细的托盘效率预测整合蒸馏模拟结果,通过全面的水力约束验证(包括射流驱油、下水管驱油和堰负载限制)确保操作可行性。该方法在工业C4烃分离阀塔板上的应用表明了良好的性能改进。与采用传统方法设计的工业基础案例相比,优化设计的总年化成本(TAC)降低了17. %,同时保持了合理的水力性能,并通过系统优化塔柱内部设计参数提高了托盘效率,这表明自动化框架比传统的依赖经验的方法具有实际优势。
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Chemical Engineering Research & Design
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