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Cu-Based Catalysts for Sustainable Acetylene Hydrochlorination: Recent Advances and Perspectives 铜基催化剂用于可持续乙炔加氢氯化:最新进展与展望
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-29 DOI: 10.1002/ceat.70092
Dong Liu, Xixi Di, Yixuan Shi, Xiao Liu, Xingrui Gao, Jingxi Yang, Tian Tang, Xianzhao Shao

Mercury catalysts used in industrial vinyl chloride monomer production are harmful to the environment and to health. In accordance with green chemistry, replacing mercury catalysts is a logical focus of academia and industry. Although precious metal catalysts offer excellent activity, they are expensive to implement widely. Copper catalysts are a cost-effective and eco-friendly alternative. Recent advances such as carrier doping, ligand modification, additive inclusion, and ionic liquid integration have increased their catalytic efficiency to often equal noble metal catalysts. This article evaluates these approaches and shows their potential for sustainable catalysis.

工业氯乙烯单体生产中使用的汞催化剂对环境和健康有害。根据绿色化学,替代汞催化剂是学术界和工业界的一个合乎逻辑的焦点。虽然贵金属催化剂具有优异的活性,但推广使用成本昂贵。铜催化剂是一种经济、环保的替代品。近年来,诸如载流子掺杂、配体修饰、添加剂包合和离子液体整合等方面的进展使它们的催化效率提高到与贵金属催化剂相当。本文对这些方法进行了评价,并展示了它们在可持续催化方面的潜力。
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引用次数: 0
Numerical Investigation of Viscoelastic Fluid Flow into a Hyperbolic Wavy Hele–Shaw Cell 粘弹性流体进入双曲波状Hele-Shaw单元的数值研究
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-29 DOI: 10.1002/ceat.70088
Mohammad Reza Kord, Mahmood Norouzi, Mohammad Mohsen Shahmardan, Mohammad Hassan Kayhani, Mohammad Hossein Izadifard, Mohammad Kazem Sheykhian

This study numerically investigates the flow characteristics of a viscoelastic fluid in a two-dimensional Hele–Shaw cell with hyperbolic expansions and contractions. The fluid's rheology is described using the Phan–Thien–Tanner constitutive model, with the governing equations solved using the finite-volume method in OpenFOAM. Within the explored range of Weissenberg numbers (0.5 ≤ Wi ≤ 4), increasing the Weissenberg number leads to higher velocity magnitude, reduced principal stress difference, and more pronounced elastic effects, resulting in a stable, symmetric flow. No vortex formation or instabilities are observed along the geometry. Furthermore, the analysis comprehensively examines velocity fields, principal stress differences, stress ratios, flow types, and apparent viscosities.

本文用数值方法研究了粘弹性流体在具有双曲膨胀和收缩的二维Hele-Shaw单元中的流动特性。采用Phan-Thien-Tanner本构模型描述流体的流变特性,并使用OpenFOAM中的有限体积方法求解控制方程。在探索的Weissenberg数范围内(0.5≤Wi≤4),增大Weissenberg数,速度量级增大,主应力差减小,弹性效应更加明显,流动稳定、对称。没有涡旋形成或不稳定沿几何观察。此外,分析还全面检查了速度场、主应力差、应力比、流动类型和表观粘度。
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引用次数: 0
Gas–Liquid Mass Transfer in a Three-Staged Contactor Consisting of Venturi and Cyclone 由文丘里和旋风器组成的三级接触器的气液传质
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-26 DOI: 10.1002/ceat.70087
Yanjie Li, Xiang Liu, Jiajun Yang, Jinghao Bi, Fan Xie, Xiao Xu

A multi-cyclone separator was provided with combination of venturis and cyclones. The gas–liquid co-current and countercurrent modes of the multi-cyclone separator were proposed. The two modes can be converted by adjusting the gas channels. The countercurrent mode was achieved when the liquid flow ranged from 7.5 to 17.5 L min−1. For countercurrent mode, larger liquid flow is benefit for improving the gas circulation flow. There is a reasonable injected gas flow that makes the gas circulation flow reach peak value. There is a critical injection gas flow beyond which countercurrent cannot occur. In the limited range of gas–liquid countercurrent, the volumetric mass transfer coefficient and separation efficiency in countercurrent mode are better than that of co-current mode. When the injected gas flow is larger than the critical value, only the third stage mass transfer unit works as the performance of countercurrent mode will decrease sharply.

采用文丘里管和旋风分离器相结合的多旋风分离器。提出了多旋风分离器的气液共流和逆流模式。这两种模式可以通过调节气体通道进行转换。当液体流量为7.5 ~ 17.5 L min−1时,实现逆流模式。对于逆流模式,较大的液体流量有利于提高气体循环流量。有合理的注入气体流量,使气体循环流量达到峰值。有一个临界注入气体流量,超过这个流量就不会发生逆流。在气液逆流有限范围内,逆流模式的体积传质系数和分离效率均优于共流模式。当注入气体流量大于临界值时,由于逆流模式的性能急剧下降,只有第三级传质单元工作。
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引用次数: 0
Phenolic Compound Removal from Olive Mill Wastewater by Sulfate Radical SR/AOP: RSM-CCD Optimization 硫酸根SR/AOP法去除橄榄厂废水中的酚类化合物:RSM-CCD优化
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-21 DOI: 10.1002/ceat.70085
Hamida Iboukhoulef, Abdeltif Amrane

Olive mill wastewater (OMW) is rich in organic pollutants, particularly phenolic compounds (PC). Persulfate (PS)-based advanced oxidation processes have emerged as effective treatment methods. This study focused on optimizing PC removal using a catalytic Fenton-like process. A Plackett–Burman design was applied to screen key variables: PS and copper concentrations, reaction time, temperature, and initial pH. A central composite design with response surface methodology was then used to refine the process. The resulting second-order polynomial model showed excellent fit with experimental data. Under optimal conditions, a maximum PC removal efficiency of 62.09 % was achieved.

橄榄厂废水中含有丰富的有机污染物,尤其是酚类化合物。过硫酸盐(PS)为基础的高级氧化工艺已成为一种有效的处理方法。本研究的重点是优化使用催化芬顿法去除PC。采用Plackett-Burman设计筛选关键变量:PS和铜浓度、反应时间、温度和初始ph。然后采用响应面法的中心复合设计来改进工艺。所得二阶多项式模型与实验数据拟合良好。在此条件下,PC的去除率最高可达62.09%。
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引用次数: 0
Sustainable Adsorbents for Wastewater Treatment: Template-Free Mesoporous Silica from Coal Fly Ash 废水处理的可持续吸附剂:煤飞灰无模板介孔二氧化硅
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-17 DOI: 10.1002/ceat.70077
Thapelo Manyepedza, Emmanuel Gaolefufa, Gaone Koodirile, Dr. Isaac N. Beas, Dr. Joshua Gorimbo, Bakang Modukanele, Dr. Moses T. Kabomo

The adsorption of methylene blue (MB) onto silica synthesized from coal fly ash (CFA) was investigated to evaluate its efficiency, kinetics, and thermodynamics. Adsorption studies revealed nearly 100 % MB removal under optimized conditions (50 ppm MB, pH 7, 3.1 g adsorbent dosage, and 50 min contact time). Equilibrium data fitted best with the Langmuir isotherm model (R2 = 0.9881, Qmax = 32.76 mg g−1), confirming monolayer adsorption and strong adsorbate–adsorbent interactions. Kinetic modeling showed that the pseudo-second-order model (R2 = 0.99) best described the process, indicating chemisorption as the dominant mechanism. Thermodynamic analysis confirmed that the adsorption was spontaneous and exothermic (ΔG < 0, ΔH = − 22.84 kJ mol−1), with a decrease in system entropy, suggesting an energy-efficient process that favours lower temperatures. Reusability studies demonstrated that the silica adsorbent retained 97.5% ±  0.17 % MB removal efficiency over 12 cycles, highlighting its economic and industrial feasibility. Additionally, ethanol-based desorption proved to be effective, ensuring sustainable regeneration. These findings establish silica from CFA as a cost-effective, environment friendly, and highly efficient adsorbent for wastewater treatment applications, particularly in dye-contaminant removal.

研究了粉煤灰(CFA)合成二氧化硅对亚甲基蓝(MB)的吸附效率、动力学和热力学。吸附研究表明,在最佳条件下(50 ppm MB, pH 7, 3.1 g吸附剂用量,接触时间50 min), MB的去除率接近100%。平衡数据最符合Langmuir等温线模型(R2 = 0.9881, Qmax = 32.76 mg g−1),证实了单层吸附和强吸附-吸附剂相互作用。动力学模型表明,拟二阶模型(R2 = 0.99)最能描述该过程,表明化学吸附是主要机理。热力学分析证实吸附是自发和放热的(ΔG <;0, ΔH =−22.84 kJ mol−1),随着系统熵的减少,表明这是一个有利于低温的节能过程。重复使用研究表明,在12个循环中,二氧化硅吸附剂的MB去除效率保持在97.5%±0.17%,突出了其经济和工业可行性。此外,基于乙醇的解吸被证明是有效的,确保了可持续的再生。这些发现表明,CFA中的二氧化硅是一种成本效益高、环境友好、高效的废水处理吸附剂,特别是在去除染料污染物方面。
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引用次数: 0
Functional Coating of NPK Granules with Pyrolysis Oils for Enhanced Slow-Release Performance 热解油包覆NPK颗粒增强缓释性能
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-17 DOI: 10.1002/ceat.70084
Fereshteh Rahmani, Mortaza Gholizadeh, Frederic Clarens

This study focused on developing slow-release fertilizers (SRFs) by coating pyrolysis oil on the fertilizer. The oils used included tire pyrolysis oil (TPO), wheat straw pyrolysis oil (WSPO), poplar wood pyrolysis oil (PWPO), and low-density polyethylene pyrolysis oil (LDPEPO). Coatings were created on fertilizer granules by co-pyrolysis at 200 °C in a fixed-bed pyrolysis reactor under nitrogen gas. The prepared SRFs included TPO-coated fertilizer (TPOCF), WSPO-coated fertilizer (WSPOCF), PWPO-coated fertilizer (PWPOCF), and LDPEPO-coated fertilizer (LDPEPOCF). Carboxylic, carbonyl, and hydroxyl compounds and functional groups in pyrolysis oils played an essential role by forming bonds and complexing with ions in NPK fertilizer. For uniform coverage of NPK fertilizer granules, maintaining a high nitrogen content in the fertilizer structure, and slower release of ions in a distilled water environment, WSPO and poplar wood were suitable.

本研究主要是通过在肥料上包覆热解油来开发缓释肥料(SRFs)。实验用油包括轮胎热解油(TPO)、麦秸热解油(WSPO)、杨木热解油(PWPO)和低密度聚乙烯热解油(LDPEPO)。采用固定床热解反应器,在氮气条件下,在200℃共热解条件下,在肥料颗粒表面制备涂层。制备的SRFs包括tpo包膜肥(TPOCF)、wspo包膜肥(wspof)、pwpo包膜肥(PWPOCF)和ldpepo包膜肥(LDPEPOCF)。热解油中的羧基、羰基和羟基化合物和官能团在氮磷钾肥料中与离子形成键和络合作用起着重要作用。为了使氮磷钾肥料颗粒覆盖均匀,保持肥料结构中较高的氮含量,并在蒸馏水环境中减缓离子的释放,WSPO和杨木是合适的。
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引用次数: 0
Simulating the Dehydration Process by Adsorption and Diffusion of H2O and CH4 on the Silica H2O和CH4在二氧化硅上吸附扩散模拟脱水过程
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-15 DOI: 10.1002/ceat.70081
Mohammad Teimouri, Ali Nakhaei Pour, Saeedeh Soheili

The study of the adsorption behavior of silica in removing water vapor using computational chemistry methods provides better views on understanding the dehydration process. In pure adsorption and diffusion, the smaller kinetic diameter of water is the most important factor in decreasing the adsorption and increasing the diffusion of water vapor in silica pores. Moreover, in the mixed-use guest molecules, the hydrogen bond of the water vapor molecule and siloxane and the interaction between methane and water are effective factors in separating water vapor from methane in the process of dehydration of natural gas. Computational studies using Monte Carlo and molecular dynamics simulation showed that the highest amounts of adsorption calculated in pure and binary mixture adsorption are related to methane and water vapor, respectively. Furthermore, water vapor in a pure diffusion is more than methane, and in binary mixture diffusion, methane vapor shows a higher diffusion coefficient.

利用计算化学方法研究二氧化硅对水蒸气的吸附行为,有助于更好地理解脱水过程。在纯吸附和扩散中,较小的水的动力学直径是减少吸附和增加水蒸气在硅孔中的扩散的最重要因素。此外,在混合使用客体分子中,水蒸气分子与硅氧烷的氢键以及甲烷与水的相互作用是天然气脱水过程中水蒸气与甲烷分离的有效因素。通过蒙特卡罗和分子动力学模拟的计算研究表明,在纯吸附和二元混合吸附中计算出的最高吸附量分别与甲烷和水蒸气有关。在纯扩散中,水蒸气比甲烷多,在二元混合扩散中,甲烷水蒸气的扩散系数更高。
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引用次数: 0
Modeling Iron Ore Breakage with the Tavares Model and DEM Simulation of a Laboratory Jaw Crusher 用Tavares模型和实验室颚式破碎机的DEM模拟铁矿破碎
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-15 DOI: 10.1002/ceat.70082
Alan A.A. Tino, Gabriel K.P. Barrios, Luís Marcelo Tavares

Selection of jaw crushers to be used in the first size reduction stages can be a challenge in the design of comminution circuits, given the impossibility of conducting tests at full scale and the limited representativity of small-scale tests. An alternative that has emerged is advanced simulation using the discrete element method (DEM). However, it requires detailed testing with very coarse particles, which can be challenging. The work presents detailed characterizations of particle shapes, breakage model, and contact parameters for simulations in Rocky DEM of an iron ore from Brazil. Validation consisted in comparing predictions to laboratory jaw crushing test results. Good agreement was found between measured and predicted throughputs, whereas simulations marginally underpredicted power and some overpredicted product fineness.

考虑到不可能进行全尺寸测试和小规模测试的有限代表性,在粉碎电路的设计中,选择用于第一个尺寸减小阶段的颚式破碎机可能是一个挑战。另一种替代方法是使用离散元法(DEM)进行高级模拟。然而,它需要用非常粗的颗粒进行详细的测试,这可能具有挑战性。本文详细描述了巴西某铁矿岩体DEM模拟的颗粒形状、破碎模型和接触参数。验证包括比较预测和实验室颚破碎试验结果。在测量和预测的吞吐量之间发现了良好的一致性,而模拟略微低估了功率和一些高估了产品细度。
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引用次数: 0
Adsorption and Enrichment of Ag(I) from Wastewater Using Wheat Bran-Derived Biosorbent 麦麸基生物吸附剂对废水中银(I)的吸附富集研究
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-08 DOI: 10.1002/ceat.70075
Wanjia Feng, Yunfan Bai, Chuhua Qi, Pingping Wu, Zhixian He, Shuangli Chen, Sijing Zhang

2,5-Dimercapto-1,3,4-thiadiazole modified wheat bran (DMTD-WB), a bio-sorbent synthesized by immobilizing DMTD onto WB, demonstrated outstanding selectivity for Ag(I) recovery from multi-metal wastewater. Under optimized conditions (30 °C, pH 3.0, dosage of 6.00 g L−1), an Ag(I) adsorption efficiency of 98.15 % was achieved. Fixed-bed adsorption experiments further confirmed its selectivity, whereas regeneration tests indicated a recovery efficiency of 81.43 % for Ag(I) after five cycles. Thermodynamic analysis revealed a maximum adsorption capacity of 60.39 mg g−1 at 40 °C. Kinetic and mass transfer studies identified chemisorption via coordination as the dominant adsorption mechanism, with the homogeneous solid diffusion (HSD) model providing a satisfactory fit for the adsorption kinetics. Overall, this study highlights DMTD-WB as a sustainable and efficient adsorbent for Ag(I) recovery, offering a value-added approach to agricultural waste utilization in wastewater treatment.

2,5-二巯基-1,3,4-噻二唑改性麦麸(DMTD-WB)是一种将DMTD固定在麦麸上合成的生物吸附剂,对多金属废水中银(I)的回收具有良好的选择性。在最佳条件(30℃,pH 3.0,用量6.00 g L−1)下,银(I)的吸附效率为98.15%。固定床吸附实验进一步证实了其选择性,再生实验表明,经过5次循环后,银(I)的回收率为81.43%。热力学分析表明,在40°C时,其最大吸附量为60.39 mg g−1。动力学和传质研究表明,通过配位的化学吸附是主要的吸附机制,均质固体扩散(HSD)模型提供了满意的吸附动力学拟合。总体而言,本研究强调DMTD-WB是一种可持续、高效的Ag(I)吸附剂,为农业废弃物在废水处理中的利用提供了一种增值方法。
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引用次数: 0
Impact of Heating Modes on Thermochemical Behavior of Wood Pyrolysis Process 加热方式对木材热解过程热化学行为的影响
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-07-08 DOI: 10.1002/ceat.70078
Van Thong Nguyen, Kieu Hiep Le

Pyrolysis is a thermal decomposition process occurring without oxygen, producing liquid oil, gases, and biochar from biomass. The key factor controlling pyrolysis is the thermal energy supplied intensity to the biomass. This study investigates the impact of heating boundary conditions on biomass pyrolysis through a mathematical model incorporating mass and energy conservation, solved numerically using the volume element method. The model is validated against experimental temperature data from a single spherical wood particle under convective heating. It is then applied to a sawdust layer under two conductive heating modes: constant temperature and insulated boundary. Results show that constant temperature heating accelerates pyrolysis threefold and increases tar and gas yields, whereas insulation slows heat transfer, delaying temperature stabilization but producing denser, higher yield char. These findings emphasize the importance of boundary conditions in optimizing biomass conversion.

热解是一种在没有氧气的情况下发生的热分解过程,从生物质中产生液态油、气体和生物炭。控制热解的关键因素是生物质的热能供给强度。本研究通过结合质能守恒的数学模型,采用体积元法进行数值求解,考察加热边界条件对生物质热解的影响。该模型与单个球形木颗粒在对流加热下的实验温度数据进行了验证。然后将其应用于两种导电加热模式下的木屑层:恒温和绝缘边界。结果表明,恒温加热使热解速度加快了三倍,增加了焦油和气体的产量,而保温则减缓了传热,延缓了温度稳定,但产生了密度更高、产量更高的焦炭。这些发现强调了边界条件在优化生物质转化中的重要性。
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引用次数: 0
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