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Competitive exchange model of aluminium ions and rare earth ions in the leaching of ion-adsorption type rare earth ores 离子吸附型稀土矿浸出过程中铝离子与稀土离子的竞争交换模型
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-22 DOI: 10.1016/j.cherd.2026.01.037
Ying Huang , Sihai Luo , Bengen Hong , Yanliang Wang , Ping Long
Aluminium ions (Al³⁺) substantially influence the leaching of rare earth ions (REs). A competitive exchange model between Al³ ⁺ and REs was established to present a rational source-sink term for simulating the leaching process of ion-adsorption type rare earth ores. In this study, the yttrium ions (Y3 +) were used to represent REs. Isothermal equilibrium ion exchange batch experiments were conducted to investigate the impact of hydrogen ion (H⁺) concentration on the competitive exchange features between Al³ ⁺ and Y3+ by using magnesium sulphate solutions at varying pH levels to leach pure yttrium samples, pure aluminium samples and mixed Al-Y samples. The experiments investigated the impact of hydrogen ion (H⁺) concentration on the competitive exchange features between Al³ ⁺ and Y3+. The findings demonstrated that H⁺ concentration had an attenuating effect on the initial solid phase concentrations of both Y3+ and Al³ ⁺ before exchange. A two-parameter logistic function of H⁺ concentration could describe this attenuation coefficient. Then, integrating the Kerr model, a competitive exchange model for Al³ ⁺ and Y3+ was developed. Compared with the experimental data, all the determination coefficients exceeded 0.850, implying that the proposed mathematical model exhibited high accuracy.
铝离子(Al³+)对稀土离子(REs)的浸出有较大影响。建立了Al³ +与REs的竞争交换模型,为模拟离子吸附型稀土矿浸出过程提供了合理的源汇项。本研究以钇离子(Y3 +)代表res,采用不同pH值的硫酸镁溶液浸出纯钇样品、纯铝样品和混合Al- y样品,进行等温平衡离子交换批实验,研究氢离子(H +)浓度对Al³ +与Y3+竞争交换特性的影响。实验研究了氢离子(H +)浓度对Al³ +与Y3+之间竞争交换特性的影响。研究结果表明,H +浓度对交换前Y3+和Al³ ⁺的初始固相浓度都有衰减作用。H⁺浓度的双参数logistic函数可以描述这种衰减系数。然后,结合Kerr模型,建立了Al³ +与Y3+的竞争交换模型。与实验数据相比,所有决定系数均超过0.850,表明所提出的数学模型具有较高的精度。
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引用次数: 0
Modeling kinetics of wollastonite dissolution and carbonate precipitation in multi-ionic brine systems 多离子盐水体系中硅灰石溶解和碳酸盐沉淀动力学模拟
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-20 DOI: 10.1016/j.cherd.2026.01.040
Harwin Sandhu, Sangeeta Garg, Shashikant Yadav
Mineral carbonation using slurry-phase wollastonite (CaSiO3) composed of suspended micron-scale particles represents an effective strategy for permanent CO2 sequestration, yet the interactions among ionic strength, dissolution–precipitation kinetics, and surface passivation remain poorly constrained. This study presents a mechanistic thermodynamic–kinetic model integrating CO2 solubility, wollastonite dissolution, and silica and calcium carbonate precipitation in multi-ionic brines (NaCl, MgCl2, CaCl2, Na2SO4) relevant to deep saline aquifers. CO2 solubility decreases across all brines due to salting-out, most strongly in Mg2+ - and SO42--rich systems, while wollastonite buffering enhances uptake with solubility ratio coefficients up to 1.95. Dissolution rates peak near pH 3–4 but drop by more than 30 % in Mg2+ -rich solutions because of competitive adsorption of Mg2+ with Ca2+ at wollastonite surface sites, which suppresses Ca2+ release. In sulfate-rich brines, SO42- primarily regulates Ca2+ activity through sulfate complexation and potential gypsum buffering, thereby delaying the onset of CaCO3 supersaturation and precipitation. Silica precipitation evolves from reaction-controlled polymerization to diffusion-limited growth as passivating layers develop. CaCO3 precipitation is triggered only at high supersaturation, limited by CO32- transport and diffusional barriers at elevated pH. Ion flux declines by over 95 % once silica layers approach ∼500 nm, corresponding to a sharp reduction in effective diffusivity and permeability due to pore-space occlusion by secondary mineral phases. Interactions between silica layers and co-precipitating minerals, such as carbonates, modulate layer porosity and diffusivity, suggesting that insights from shale reservoirs can refine predictions of passivation and reaction–diffusion transitions in engineered brine systems. The model predicts a progressive decrease in porosity and transport capacity as silica and CaCO3 layers thicken, providing a quantitative mechanistic link between mineral reprecipitation, evolving transport properties, and the observed transition from reaction-controlled to diffusion-limited carbonation.
使用悬浮微米级颗粒组成的硅灰石(CaSiO3)进行矿物碳化是一种永久封存二氧化碳的有效策略,但离子强度、溶解-沉淀动力学和表面钝化之间的相互作用仍然受到很差的约束。本研究建立了与深盐含水层相关的多离子盐水(NaCl, MgCl2, CaCl2, Na2SO4)中CO2溶解度、硅灰石溶解、二氧化硅和碳酸钙沉淀的力学热力学-动力学模型。由于盐析,CO2溶解度在所有卤水中都降低,在Mg2+ -和SO42-富体系中最明显,而硅灰石缓冲增强了吸收,溶解度比系数高达1.95。溶解速率在pH值3-4附近达到峰值,但在富含Mg2+的溶液中下降了30 %以上,这是因为钙离子在硅灰石表面位置与Mg2+竞争性吸附,抑制了Ca2+的释放。在富硫酸盐盐水中,SO42-主要通过硫酸盐络合作用和潜在的石膏缓冲作用调节Ca2+活性,从而延缓CaCO3过饱和和沉淀的发生。随着钝化层的发展,二氧化硅沉淀从反应控制聚合演变为扩散限制生长。CaCO3的沉淀仅在高过饱和时触发,受高ph下CO32-传输和扩散屏障的限制。一旦二氧化硅层接近~ 500 nm,离子通量下降95% %以上,对应于由于次级矿物相遮挡孔隙空间而导致的有效扩散率和渗透率急剧下降。二氧化硅层与共沉淀矿物(如碳酸盐)之间的相互作用调节了层的孔隙度和扩散系数,这表明页岩储层的见解可以改进工程盐水系统中钝化和反应扩散转变的预测。该模型预测,随着二氧化硅和碳酸钙层的增厚,孔隙率和输运能力会逐渐降低,为矿物再沉淀、输运性质的演变以及观察到的从反应控制到扩散限制碳酸化的转变提供了定量机制联系。
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引用次数: 0
PRB based hybrid adsorption-membrane for the treatment of pharmaceutical -contaminated water 基于PRB的混合吸附膜处理制药污染水
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-01-26 DOI: 10.1016/j.cherd.2026.01.052
Fatemeh Radaei, Mohsen Jahanshahi, Majid Peyravi, Nima Hosseinzadeh Yekani
The increasing presence of antibiotics in water resources has raised serious environmental concerns, highlighting the need for efficient and practical treatment systems. In this study, a hybrid treatment system consisting of a gravity-driven packed-bed column inspired by the permeable reactive barrier (PRB) concept and a downstream membrane process was developed for the removal of azithromycin (AZI) from water. The PRB-based column was filled with magnetic granular activated carbon (MGAC) and operated as a passive pretreatment unit prior to membrane filtration. The synthesized adsorbent was characterized using FESEM, EDX, XRD, and Raman spectroscopy, while the physicochemical properties of the fabricated polyethersulfone (PES) membranes were evaluated by cross-sectional FESEM and AFM analyses. Batch adsorption experiments demonstrated a maximum AZI removal efficiency of 99.96 % at pH 2, a contact time of 80 min, and an initial AZI concentration of 100 mg/L, with a maximum adsorption capacity of 192.1 mg/g. The adsorption behavior followed the pseudo-second-order kinetic model and the Freundlich isotherm, with correlation coefficients (R²) of 0.9997 and 0.9976, respectively. Column experiments revealed that AZI removal performance was strongly influenced by bed height, inlet flow rate, and influent concentration, with a maximum removal efficiency of 67 % achieved at a bed depth of 10 cm, a flow rate of 5 mL/min, and an inlet AZI concentration of 100 mg/L. Breakthrough curve was well described by the Thomas and Yan models, with the Yan model providing the best fit. The effectiveness of the PRB-based column as a pretreatment step was further evaluated using PES membranes with polymer concentrations of 15 % (M1) and 20 % (M2). Following pretreatment, membrane flux and AZI rejection significantly improved, with flux increasing from 72 to 110 L/m2.h and rejection from 30 % to 82 % for M1, and from 30 to 50 L/m2.h with rejection increasing from 98 % to 99.9 % for M2. These results demonstrate that the proposed PRB-based hybrid system is an effective and energy-efficient approach for AZI removal and fouling mitigation in membrane processes.
水资源中抗生素的日益增加引起了严重的环境问题,强调需要有效和实用的处理系统。在这项研究中,开发了一种混合处理系统,该系统由受渗透反应屏障(PRB)概念启发的重力驱动填充床柱和下游膜工艺组成,用于从水中去除阿奇霉素(AZI)。以prb为基础的柱填充磁性颗粒活性炭(MGAC),作为膜过滤前的被动预处理单元。采用FESEM、EDX、XRD和拉曼光谱对合成的吸附剂进行了表征,并通过FESEM和AFM分析对制备的聚醚砜(PES)膜的物理化学性能进行了评价。间歇吸附实验表明,在pH为2、接触时间为80 min、初始AZI浓度为100 mg/L时,AZI的最大去除效率为99.96 %,最大吸附量为192.1 mg/g。吸附行为符合拟二级动力学模型和Freundlich等温线,相关系数(R²)分别为0.9997和0.9976。实验结果表明,床层高度、进口流量和进水浓度对AZI的去除率有较大影响,当床层深度为10 cm、流量为5 mL/min、进口浓度为100 mg/L时,AZI去除率最高可达67 %。Thomas模型和Yan模型都能很好地描述突破曲线,其中Yan模型拟合效果最好。采用聚合物浓度分别为15 % (M1)和20 % (M2)的PES膜,进一步评价了基于prb的色谱柱作为预处理步骤的有效性。预处理后,膜通量和AZI截留率显著提高,M1的通量从72 ~ 110 L/ M2. h增加到30 ~ %,截留率从82 ~ %;M2从30 ~ 50 L/ M2. h增加到98 ~ %,截留率从99.9 ~ %。这些结果表明,基于prb的混合系统是一种高效节能的膜工艺中AZI去除和污染缓解方法。
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引用次数: 0
Regime map of a toroidal fluid bed granulator — Challenging formulation 环形流化床造粒机的状态图-具有挑战性的配方
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.2026.02.045
Line Koleilat , Christian Karl Paasche , Jonathan Wade , Joshua Hanson , Carl Wassgren , Paul Mort
Fluidized bed granulation of fine cohesive powders can be challenging due to poor fluidization and fines elutriation. This study investigates toroidal fluid bed granulation of a pharmaceutical formulation containing 50% micronized acetaminophen, focusing on the effects of airflow rate, inlet air temperature, and binder spray rate. Additionally, a prewetting step, involving pre-blending a small amount of water to the powder blend prior to charging, was introduced to improve particle adhesion and reduce elutriation of the micronized active. The combination of prewetting and the toroidal airflow pattern stabilized fluidization and promoted uniform granule growth. Integrated mass, energy, and pressure analyses were used to develop a regime map linking process parameters, moisture gain, and granule properties. The resulting framework defines a stable operating region for this cohesive formulation, supporting robust scale-up and process optimization in pharmaceutical granulation.
流化床造粒的细粘性粉末可以是具有挑战性的,由于较差的流化和细粒洗脱。本研究对含50%微粉对乙酰氨基酚的药物配方进行了环形流化床造粒,重点研究了气流速率、入口空气温度和粘合剂喷射速率对造粒的影响。此外,还引入了一个预润湿步骤,即在加料前向粉末混合物中预混合少量的水,以改善颗粒的附着力,减少微粉化活性物的洗脱。预湿和环形气流模式的结合稳定了流态化,促进了颗粒的均匀生长。综合质量,能量和压力分析用于开发连接工艺参数,湿度增益和颗粒特性的制度图。由此产生的框架定义了该内聚制剂的稳定操作区域,支持药物造粒的稳健放大和工艺优化。
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引用次数: 0
Evaluation of different exhaust aftertreatment configurations for engines running with methanol 甲醇发动机不同排气后处理配置的评价
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.2026.02.028
Erika Croner , Franz Koschany , Marian Schenker , Hans-Philipp Walther , Olaf Hinrichsen
The maritime sector is a significant contributor to global greenhouse gas emissions. One potential solution to reduce these emissions is the adoption of green methanol (MeOH) as an alternative fuel. For safety reasons, marine engines must be capable of operating as dual fuel systems. When running in the Diesel mode, a selective catalytic reduction (SCR) system is necessary to reduce the
emissions. However, when MeOH is used as fuel, the SCR catalyst reacts with the feed, forming unwanted products. To eliminate, suppress or prevent their formation, the integration of an oxidation catalyst is required. For this, two setups and two oxidation catalysts were evaluated across three different combustion modes. The two setups differ in the position of the oxidation catalyst, which was located either upstream or downstream of the SCR unit. The combustion modes consisted of one Diesel mode and two Dual Fuel PFI modes, which were synthetically reproduced based on exhaust emissions of real engines. Furthermore, a conventional Pt oxidation catalyst was evaluated and compared with a modified ammonia slip catalyst (ASC). The goal was to identify an exhaust aftertreatment configuration which is able to sufficiently remove or prevent the formation of all unwanted products for all combustion modes while complying with all essential maritime regulations.
海事部门是全球温室气体排放的重要贡献者。减少这些排放的一个潜在解决方案是采用绿色甲醇(MeOH)作为替代燃料。出于安全考虑,船用发动机必须能够作为双燃料系统运行。在柴油模式下运行时,需要选择性催化还原(SCR)系统来减少排放。然而,当甲醇用作燃料时,SCR催化剂与进料发生反应,形成不需要的产物。为了消除、抑制或防止它们的形成,需要集成氧化催化剂。为此,在三种不同的燃烧模式下,对两种装置和两种氧化催化剂进行了评估。这两种装置的不同之处在于氧化催化剂的位置,它位于SCR装置的上游或下游。燃烧模式包括一种柴油模式和两种双燃料PFI模式,并根据真实发动机的废气排放进行综合再现。此外,对传统铂氧化催化剂进行了评价,并与改性氨滑催化剂(ASC)进行了比较。目标是确定一种排气后处理配置,能够充分去除或防止所有燃烧模式下所有不需要的产物的形成,同时符合所有基本的海事法规。
{"title":"Evaluation of different exhaust aftertreatment configurations for engines running with methanol","authors":"Erika Croner ,&nbsp;Franz Koschany ,&nbsp;Marian Schenker ,&nbsp;Hans-Philipp Walther ,&nbsp;Olaf Hinrichsen","doi":"10.1016/j.cherd.2026.02.028","DOIUrl":"10.1016/j.cherd.2026.02.028","url":null,"abstract":"<div><div>The maritime sector is a significant contributor to global greenhouse gas emissions. One potential solution to reduce these emissions is the adoption of green methanol (MeOH) as an alternative fuel. For safety reasons, marine engines must be capable of operating as dual fuel systems. When running in the Diesel mode, a selective catalytic reduction (SCR) system is necessary to reduce the <figure><img></figure> emissions. However, when MeOH is used as fuel, the SCR catalyst reacts with the feed, forming unwanted products. To eliminate, suppress or prevent their formation, the integration of an oxidation catalyst is required. For this, two setups and two oxidation catalysts were evaluated across three different combustion modes. The two setups differ in the position of the oxidation catalyst, which was located either upstream or downstream of the SCR unit. The combustion modes consisted of one Diesel mode and two Dual Fuel PFI modes, which were synthetically reproduced based on exhaust emissions of real engines. Furthermore, a conventional Pt oxidation catalyst was evaluated and compared with a modified ammonia slip catalyst (ASC). The goal was to identify an exhaust aftertreatment configuration which is able to sufficiently remove or prevent the formation of all unwanted products for all combustion modes while complying with all essential maritime regulations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"227 ","pages":"Pages 677-684"},"PeriodicalIF":3.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of a stepper motor-driven magnetic actuation system for automated condensate removal in horizontal condensing tubes 步进电机驱动磁致动水平冷凝管冷凝水自动清除系统的研制
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.2026.02.024
Leigang Zhang , Liang Li , Menghao Dun , Bo Xu , Shang Mao
The condensation process in horizontal tubes is prevalent in chemical, power, and aerospace thermal management systems, where heat transfer efficiency is hindered by the non-uniform distribution of condensate liquid film. To address this issue, an innovative non-contact magnetic control condensate removal system driven by a stepping motor was developed. This system employs an external stepping motor to accurately drive the magnetic ring into axial reciprocating motion, leveraging magnetic coupling to induce synchronous movement of the ferromagnetic ring within the pipe, thereby mechanically stripping and transporting the attached liquid film. The effects of steam flow rate, inlet dryness, and motor gear on heat transfer performance, pressure drop characteristics, and two-phase flow patterns were systematically investigated. Findings reveal that the system effectively disrupts the liquid film's continuity, with the local heat transfer coefficient increasing by 35.9 % under third gear conditions compared to non-enhanced scenarios. Notably, the local heat transfer enhancement ratio reached 1.364 at a specific dryness level (X = 0.6). Visual analysis confirmed that the iron ring's reciprocating motion facilitated the transition from stratified to annular flow, optimizing gas-liquid two-phase distribution. This technology offers non-contact, efficient, and gravity-independent drainage, making it ideal for mitigating liquid film blockage and poor heat transfer in microgravity environments.
在化学、电力和航空航天热管理系统中,冷凝过程普遍存在于水平管中,在这些系统中,冷凝液膜的不均匀分布阻碍了传热效率。为了解决这一问题,开发了一种创新的由步进电机驱动的非接触式磁控冷凝水清除系统。该系统采用外置步进电机精确驱动磁环进行轴向往复运动,利用磁耦合诱导铁磁环在管道内同步运动,从而机械剥离和输送附着的液膜。系统研究了蒸汽流量、进口干燥度和电机齿轮对换热性能、压降特性和两相流型的影响。研究结果表明,该系统有效地破坏了液膜的连续性,与未增强的情况相比,三档条件下的局部传热系数增加了35.9 %。值得注意的是,在特定干燥水平下,局部换热增强比达到1.364 (X = 0.6)。可视化分析证实,铁环的往复运动促进了分层流向环空流的转变,优化了气液两相分布。该技术提供非接触式、高效且不受重力影响的排水,是缓解微重力环境下液膜堵塞和传热不良的理想选择。
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引用次数: 0
In situ detection of fouling in crossflow filtration using 3ω sensing 利用3ω传感对横流过滤污垢进行原位检测
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-07 DOI: 10.1016/j.cherd.2026.02.010
Simon Ranthe Filtenborg , Peter Galsøe , Julie Senius Mølgaard , Dan Asbjørn Linnemann Axelsen , Carsten Skovmose Kallesøe , Maryam Tavakolmoghadam , Morten Lykkegaard Christensen , Astrid Ræbild Kjul , Mads Koustrup Jørgensen
Membrane filtration is a widely applied technology for water and wastewater treatment and for separation and purification in e.g. food and pharmaceutical industry. However, the applicability is severely limited by fouling. Several methods have been proposed to monitor membrane fouling, yet none have proven effective for full-scale implementation. The 3ω sensing is introduced as a novel approach for monitoring membrane fouling and shows promising potential to scale for in situ fouling monitoring. Promising results have been obtained for measuring filter-cake build up and compression (fouling) in dead-end filtration. In the current study, 3ω sensing is investigated for monitoring fouling in crossflow filtration to simultaneously measure how heat convection from the surface of the membrane depends on crossflow and formation of organic and inorganic fouling. A 3ω sensor was integrated onto the surface of a microfiltration membrane, and crossflow filtrations of kaolin and E. coli suspensions were conducted. It was observed that application of crossflow leads to a reduction of 3ω signal as it enhances heat transfer from the sensor. Measurements of 3ω signals at stagnant conditions (no crossflow) showed lower signals for membranes with inorganic fouling (thermally conducting) compared to a clean membrane, while measurements of a membrane fouled with E. coli shows a signal similar to that of a clean membrane due to the similarity in thermal conductivity between the feed and the fouling layer. Hence, the E. coli fouling layer could not be sensed in stagnant conditions. However, measurements in crossflow mode showed increasing 3ω signals by the formation of both kaolin and E. coli fouling layers. This happens because the fouling layer acts as a protective barrier against heat convection from the 3ω sensor, initially increasing the 3ω signal, regardless of the thermal conductivity. This phenomenon is coined shielding and has the notable consequence of increasing resolution of 3ω sensing for a foulant with thermal properties similar to those of water. This makes 3ω sensing an effective technique for detecting membrane fouling, with the potential to characterize both the type and thickness of the fouling layer with high resolution in crossflow filtration. These findings pave the way for advanced fouling diagnostics, predictive maintenance, and optimized cleaning strategies, offering substantial benefits for full-scale membrane operations in water and wastewater treatment, food, and pharmaceutical industries.
膜过滤是一种广泛应用于水和废水处理和分离净化的技术,如食品和制药工业。然而,由于污垢的存在,其适用性受到严重限制。已经提出了几种监测膜污染的方法,但没有一种被证明是有效的全面实施。3ω传感是一种监测膜污染的新方法,在原位污染监测中显示出很大的潜力。对终端过滤中滤饼堆积和压缩(污垢)的测量取得了可喜的结果。在本研究中,研究了3ω传感用于监测横流过滤中的污垢,同时测量来自膜表面的热对流如何依赖于横流以及有机和无机污垢的形成。将3ω传感器集成在微滤膜表面,对高岭土和大肠杆菌悬浮液进行横流过滤。观察到,横向流的应用导致3ω信号的减少,因为它增强了传感器的传热。在停滞条件下(无横流)的3ω信号测量显示,与清洁膜相比,无机污染(导热)的膜的信号较低,而被大肠杆菌污染的膜的测量显示,由于饲料层和污染层之间的导热性相似,信号与清洁膜相似。因此,大肠杆菌污垢层在停滞条件下不能被感知。然而,在横流模式下的测量显示,高岭土和大肠杆菌污染层的形成增加了3ω信号。这是因为污垢层作为一个保护屏障,防止来自3ω传感器的热对流,最初增加3ω信号,而不考虑导热系数。这种现象被称为屏蔽,对于具有类似于水的热性质的污染物,具有显著的提高3ω传感分辨率的结果。这使得3ω传感成为检测膜污染的有效技术,具有在横流过滤中以高分辨率表征污染层的类型和厚度的潜力。这些发现为先进的污染诊断、预测性维护和优化的清洁策略铺平了道路,为水和废水处理、食品和制药行业的全面膜操作提供了实质性的好处。
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引用次数: 0
Phenomenological-based kinetics of oxidative cracking of n-hexane to light olefins over tandem (V/Si)-ZSM-5 catalysts (V/Si)-ZSM-5催化剂催化正己烷氧化裂化制备轻烯烃的动力学研究
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-02 DOI: 10.1016/j.cherd.2026.02.002
Ariel Hazril Gursida , Sagir Adamu , Shaikh Abdur Razzak , Mohammad Mozahar Hossain
The kinetics of n-hexane oxidative cracking to olefins using lattice oxygen on (V/Si)-ZSM-5 were examined. The catalyst shows a total acidity of 0.44 mmol g⁻¹ , comprising 47 % weak sites that promote olefin selectivity and 53 % strong sites that enhance n-hexane conversion. TPR confirms that (V/Si)-ZSM-5 is readily reducible. In a CREC Riser simulator, oxidative cracking resulted in ∼72.2 % olefin selectivity at 74.8 % n-hexane conversion. A kinetic model was formulated, including (1) catalytic cracking and (2) oxidative dehydrogenation. The cracking pathway treats adsorption, C–H/C–C bond cleavage, and desorption as elementary steps under a pseudo–steady-state assumption, while the ODH reaction follows a Langmuir–Hinshelwood mechanism. The model reproduces the experiments with strong statistical agreement, and the estimated rate constantly aligns with the observed product selectivity.
研究了正己烷在(V/Si)-ZSM-5上用点阵氧氧化裂化制烯烃的动力学。该催化剂的总酸度为0.44 mmol g⁻¹ ,其中47 %的弱位点促进烯烃选择性,53 %的强位点促进正己烷转化。TPR证实(V/Si)-ZSM-5是易还原的。在CREC提升管模拟器中,氧化裂化导致72.2 %的烯烃选择性和74.8 %的正己烷转化率。建立了包括(1)催化裂化和(2)氧化脱氢的动力学模型。裂化反应以吸附、C-H / C-C键裂解和解吸为基本步骤,在拟稳态假设下进行,而ODH反应遵循Langmuir-Hinshelwood机制。该模型再现了具有强统计一致性的实验,并且估计速率不断与观察到的产品选择性一致。
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引用次数: 0
Experimental and simulation study of a novel perovskite-based redox catalyst for ethylbenzene CL–ODH process: Energy, exergy, and CO₂ footprint assessment 一种新型钙钛矿基乙苯CL-ODH氧化还原催化剂的实验和模拟研究:能量、用能和CO₂足迹评估
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1016/j.cherd.2026.02.015
Shokufeh Bagheri, Ali Hafizi
Styrene, an essential monomer in the chemical industry, is conventionally produced via energy-intensive dehydrogenation process with high CO2 emissions. Chemical Looping Oxidative Dehydrogenation of ethylbenzene (CL–ODH of EB) is a promising route for producing styrene. Herein, a novel CaMn0.6Fe0.4O3–δ perovskite-based redox catalyst was experimentally evaluated in this process. The reactor tests were performed at different reaction temperatures of 540–600 °C under reduced steam conditions. Then, the laboratory-scale catalytic results were used as input data for process simulations compared with a conventional industrial unit for the purpose of investigating energy, exergy analyses, and CO2 footprint calculations. Based on the experimental results, the catalyst exhibited high catalytic performance under high Weight Hourly Space Velocity (WHSV, 0.4 h⁻¹ vs. 0.2 h⁻¹ in the conventional industrial process), achieving 90.9 % styrene selectivity and 23 % ethylbenzene conversion in the single-reactor configuration at 540°C. Based on the simulation results with overall conversions of 69 % and 70 % across the three reactors for the CL–ODH and conventional industrial processes, respectively. The obtained results indicate that the CL–ODH process reduced energy consumption by 40.6 %, exergy loss by 41.7 %, and reduction in CO2 emissions by 40.2 %. Generally, styrene production using CL–ODH is superior than the conventional process in energy and emissions.
苯乙烯是化学工业中必不可少的单体,传统上是通过能源密集型脱氢过程生产的,二氧化碳排放量高。乙苯化学环氧化脱氢(CL-ODH of EB)是一种很有前途的苯乙烯生产工艺。本文对一种新型的CaMn0.6Fe0.4O3 -δ钙钛矿基氧化还原催化剂进行了实验评价。反应器试验在540-600℃的不同反应温度下进行。然后,将实验室规模的催化结果用作过程模拟的输入数据,与传统工业装置进行比较,以研究能源、火用分析和二氧化碳足迹计算。根据实验结果,该催化剂在高质量时空速下表现出很高的催化性能(WHSV, 0.4 h⁻¹对传统工业过程中的0.2 h⁻¹),在540°C的单反应器配置下,苯乙烯选择性达到90.9 %,乙苯转化率达到23 %。根据模拟结果,三个反应器中CL-ODH和常规工业工艺的总转化率分别为69 %和70 %。结果表明,CL-ODH工艺能耗降低40.6% %,火用损失降低41.7% %,CO2排放量降低40.2% %。一般来说,使用CL-ODH生产苯乙烯在能源和排放方面都优于传统工艺。
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引用次数: 0
Investigating the influence of design and operational parameters on SAG mill energy spectra: A DEM and SHAP-based sensitivity analysis 研究设计和运行参数对SAG磨能谱的影响:基于DEM和shap的灵敏度分析
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-03-01 Epub Date: 2026-02-12 DOI: 10.1016/j.cherd.2026.02.005
Tahir Jauhar , Dasun Balasooriya , Ben Wilks , Stephan Chalup , Michael Carr , Craig Wheeler , Dean Ellis
This study uses a Discrete Element Modelling (DEM) based data-driven approach to identify and quantify the key variables influencing energy distribution in a Semi-Autogenous Grinding (SAG) mill, which is critical for balancing grinding efficiency and liner wear. A set of 36 conditions was simulated using the Discrete Element Method (DEM). Seven input variables were investigated: percentage of critical speed, number of lifters, two variables for lifter geometry (face angle, height), and three variables for charge composition (relative ball diameter and the filling levels for rocks and balls). The resulting energy spectra for two collision types (Rock–Ball and Rock–Belly) were analysed using regression models and SHAP (SHapley Additive exPlanations) to provide insights into variable importance and interactions. The analysis revealed that ball-related variables (percentage fill and diameter) and critical speed are the dominant factors governing collision energies. The SHAP analysis quantified complex, non-linear relationships and competing influences; for instance, the number of lifters significantly impacted Rock–Belly collisions, while lifter angle was more influential on Ball–Belly collisions. To explore the trade-offs identified by this analysis, three types of surrogate models were trained on the pre-wear dataset. Surrogate models exhibiting varying levels of predictive accuracy were subsequently coupled with the NSGA-II genetic algorithm to generate multi-objective Pareto fronts, illustrating the inherent trade-off between maximising Rock–Ball energy (grinding efficiency) and minimising Rock–Belly energy (liner wear).This study presents a detailed sensitivity analysis that quantifies the non-linear influence of key parameters, offering insights to guide future large-scale optimisation studies.
本研究使用基于离散元建模(DEM)的数据驱动方法来识别和量化影响半自磨(SAG)磨机能量分布的关键变量,这对于平衡研磨效率和衬板磨损至关重要。采用离散元法(DEM)模拟了36种工况。研究了七个输入变量:临界速度百分比、提升器数量、提升器几何形状的两个变量(面角、高度)和装药成分的三个变量(相对球直径和岩石和球的填充水平)。使用回归模型和SHapley加性解释(SHapley Additive explanation)分析了两种碰撞类型(Rock-Ball和Rock-Belly)的能谱,以提供对变量重要性和相互作用的见解。分析表明,球相关变量(填充率和直径)和临界速度是影响碰撞能量的主要因素。SHAP分析量化了复杂的非线性关系和相互竞争的影响;举器数量对Rock-Belly碰撞影响显著,举器角度对Ball-Belly碰撞影响较大。为了探索该分析确定的权衡,在磨损前数据集上训练了三种类型的代理模型。随后,将具有不同预测精度水平的替代模型与NSGA-II遗传算法相结合,生成多目标Pareto前沿,说明了最大化Rock-Ball能量(研磨效率)和最小化Rock-Belly能量(衬垫磨损)之间的内在权衡。本研究提出了详细的敏感性分析,量化了关键参数的非线性影响,为指导未来的大规模优化研究提供了见解。
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Chemical Engineering Research & Design
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