Chemical Engineering Science最新文献_第4页

A passive and stable aerogel reactor based on Ag-loading cellulose Pickering emulsion 基于载银纤维素皮克林乳液的被动稳定气凝胶反应器

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-06 DOI: 10.1016/j.ces.2026.123520

Jian Liu , Jianyi Song , Na Liu , Qiao Lan

{"title":"A passive and stable aerogel reactor based on Ag-loading cellulose Pickering emulsion","authors":"Jian Liu , Jianyi Song , Na Liu , Qiao Lan","doi":"10.1016/j.ces.2026.123520","DOIUrl":"10.1016/j.ces.2026.123520","url":null,"abstract":"<div><div>A pump-free, stable and efficient aerogel reactor with abundant pores is designed using Ag-loading cellulose Pickering emulsions as a template for the continuous flow catalytic reduction of 4-nitrophenol. The fabrication of the aerogel reactor entails the two-step oxidation synthesis of aldehyde-functionalized cellulose nanocrystals (ACNC), the in-situ reduction of Ag nanoparticles (NPs) on them to form Ag@ACNC, the utilization of this material to stabilize a Pickering emulsion for preparing the hydrogel, and finally the freeze-drying of the hydrogel laying on a fabric strip. The emulsion-templated aerogel features abundant pores with loading Ag NPs on inner walls, enabling reactant to flow through the pores rapidly under driving by its gravity and the capillary action of the supporting fabric strip and react on the walls. The aerogel reactor achieves efficient three-dimensional flow catalysis without an external power source and exhibits excellent conversion and stability. The conversion all remains above 91.8% during the continuous flow catalysis reaction of 6 cycles (totaling 72 h), and the conversion still reaches 94.4% at 12 h after storage in air for 60 days. This emulsion-templated aerogel reactor demonstrates great potential for advancing recyclable catalytic systems, thereby paving the way for its wide applications.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123520"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Electro-initiated co-precipitation for synthesis of copper-based powder catalysts 电共沉淀法合成铜基粉末催化剂

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-06 DOI: 10.1016/j.ces.2026.123549

Haoyuan Gu , Shengbin Dong , Pengfei Tian , Jiancheng Guo , Fu-Zhen Xuan , Minghui Zhu

{"title":"Electro-initiated co-precipitation for synthesis of copper-based powder catalysts","authors":"Haoyuan Gu , Shengbin Dong , Pengfei Tian , Jiancheng Guo , Fu-Zhen Xuan , Minghui Zhu","doi":"10.1016/j.ces.2026.123549","DOIUrl":"10.1016/j.ces.2026.123549","url":null,"abstract":"<div><div>Copper-based catalysts are extensively utilized in heterogeneous catalysis due to their cost-effectiveness and superior activity. However, their industrial production predominantly relies on conventional precipitation or impregnation methods, which inevitably generate substantial liquid and gaseous waste. Furthermore, these routes typically depend on nitrate precursors, where the production involves dissolving metals in strong acids, creating significant upstream environmental burdens. To address these issues, this work presents a facile and environmentally friendly electrochemical synthesis strategy. In this approach, a Cu mesh acts as the in-situ Cu<sup>2+</sup> source, while OH<sup>–</sup> generated from the hydrogen evolution reaction serves as the precipitating agent. Furthermore, by adding sodium citrate to the electrolyte, we can control the morphology of the catalyst, and by replacing the metal cations in the nitrate electrolyte, we can control the composition of the catalyst. Notably, a copper-cerium mixed oxide synthesized with 0.1 M cerium nitrate and 0.01 M sodium citrate delivers exceptional performance in CO oxidation, achieving a T<sub>60</sub> of 78 ℃ and a T<sub>90</sub> of 92 ℃. This enhanced activity is attributed to a unique dispersed nanosheet morphology that promotes the formation of Cu-Ce solid solutions and oxygen vacancies. Consequently, this green synthesis protocol holds great promise for sustainable industrial catalyst manufacturing.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123549"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

One-step nanoprecipitation of polymeric nanoparticles with tunable size, uniformity, shape and surface function 一步法制备具有可调尺寸、均匀性、形状和表面功能的聚合物纳米颗粒

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-06 DOI: 10.1016/j.ces.2026.123557

Dongpeng Sun , Jingyi Chen , Canghai Luo , Yuan Zheng , Xinxiong Wang , Baoling Guo , David A. Weitz , Dong Chen

引用次数: 0

Safe and efficient synthesis of diphenylmethane dicarbamate and kinetic study of the reaction in a microreactor 安全高效的二苯基甲烷二氨基甲酸酯合成及其微反应器动力学研究

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-09 DOI: 10.1016/j.ces.2026.123516

Simeng Liu , Yadi Zhao , Zhicheng Tian , Shunkai Xia , Zhuo Chen , Jianhong Xu

{"title":"Safe and efficient synthesis of diphenylmethane dicarbamate and kinetic study of the reaction in a microreactor","authors":"Simeng Liu , Yadi Zhao , Zhicheng Tian , Shunkai Xia , Zhuo Chen , Jianhong Xu","doi":"10.1016/j.ces.2026.123516","DOIUrl":"10.1016/j.ces.2026.123516","url":null,"abstract":"<div><div>As Diphenylmethane dicarbamate (MDC) is a critical precursor for methylene diphenyl diisocyanate (MDI) and thus polyurethane production, the safe and efficient synthesis of MDC holds significant industrial importance. Conventional batch processes employ formaldehyde and strong acids with safety hazards and efficiency limitations. This study overcame these challenges by developing an acid-resistant pressurized microreactor-batch aging system. By enhancing mass transfer and optimizing parameters, continuous MDC synthesis was achieved within 40 min at 120°C. Subsequent aging at 60°C within 40 min significantly boosted product selectivity, yielding 68.91% MDC. This represents an improvement over the conventional batch process, which requires 4 h and achieves only 53.57% yield. The first kinetic model established for this process identifies the condensation step as rate-determining (<em>Ea</em><sub>2</sub> = 75.23 kJ/mol > <em>Ea<sub>1</sub></em> = 65.27 kJ/mol). This study pioneers the application of microreactor technology to methyl phenyl carbamate condensation reactions and offers new insights into the reaction mechanism.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123516"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Optimal experimental design for guaranteed parameter estimation with rigorous formulation of the embedded liquid-liquid equilibrium 采用严格的嵌入式液-液平衡公式，进行保证参数估计的优化实验设计

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-01-24 DOI: 10.1016/j.ces.2026.123437

Daniel Jungen , Jan-Frederic Laub , Alexander Mitsos

{"title":"Optimal experimental design for guaranteed parameter estimation with rigorous formulation of the embedded liquid-liquid equilibrium","authors":"Daniel Jungen , Jan-Frederic Laub , Alexander Mitsos","doi":"10.1016/j.ces.2026.123437","DOIUrl":"10.1016/j.ces.2026.123437","url":null,"abstract":"<div><div>Semi-empirical models for liquid-liquid equilibrium (LLE) are essential for chemical process design but rely on experimental data for parameter estimation. In the face of high experimental costs, determining an informative experimental plan is crucial for constructing and validating these models efficiently. Optimal experimental design (OED) for (bounded-error) guaranteed parameter estimation (GPE) is a valuable approach to planning LLE experiments, but it has been limited to systems with simple input-output relations. We extend this method to systems whose input-output relation is implicitly given by an equation system with additional semi-infinite constraints, which corresponds to the rigorous computation of an LLE. Excess Gibbs free energy models are highly flexible but can predict spurious phase splits due to (i) using non-rigorous computations, or (ii) parameter values that are problematic in the sense that they lead to erroneous model behavior. To mitigate these issues in experiment planning, we (i) employ rigorous calculations using Baker’s criterion, and (ii) enforce additional requirements, based on [Mitsos et al. Chem. Eng. Sci., 64(3):548-559, 2009] to exclude parameter values that lead to erroneous model behavior. We solve the resulting problem using (generalized) semi-infinite programming techniques and provide a proof of concept using the Redlich-Kister model to plan the OED to reduce parameter uncertainty. Our approach successfully avoids wrong predictions due to problematic parameter values and computes an experimental design that significantly reduces the predicted parameter uncertainty. However, our method is computationally demanding, necessitating advancements in numerical methods for practical applications involving multiple parameters or more complex excess models.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123437"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Intensification of one-step mixing for the preparation of Al2O3-H2O nanofluids using free triple-impinging jets 利用自由三冲击射流强化一步混合制备Al2O3-H2O纳米流体

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-07 DOI: 10.1016/j.ces.2026.123539

Jun Zhang , Peng-fei Liang , You-zhi Liu

{"title":"Intensification of one-step mixing for the preparation of Al2O3-H2O nanofluids using free triple-impinging jets","authors":"Jun Zhang , Peng-fei Liang , You-zhi Liu","doi":"10.1016/j.ces.2026.123539","DOIUrl":"10.1016/j.ces.2026.123539","url":null,"abstract":"<div><div>A novel one-step mixing using free triple-impinging jets (FTIJs) was employed to prepare Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids. The effects of key operating parameters, namely, horizontal nozzle distance (<em>w</em> = 10 mm & 20 mm), perpendicular nozzle distance (<em>h</em> = 10 mm & 20 mm), H<sub>2</sub>O/SDBS jet velocity <em>u</em> (1.6 m/s ∼ 4.8 m/s), Al<sub>2</sub>O<sub>3</sub> mass flow rate <em>Q</em><sub>1</sub> (1.2 g/h ∼ 3 g/h), and SDBS mass fraction <em>ω</em> (0.4% ∼ 1.2%) on the stability, size, and morphology of Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids were systematically investigated through experimental studies. For comparative analysis, free opposed impinging jets (FOIJs) was implemented, in which two liquid jets from two horizontally aligned nozzle and collide in a wall-free environment, enabling a two-step mixing of Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids preparation. The results indicate that increasing <em>u</em> and <em>Q</em><sub>1</sub> leads to reduced sedimentation height, transmissivity and average diameter, along with an increased absolute value of zeta potential, so that the stability and size uniformity are improved, with the minimum average diameter reaching 48 nm. In contrast, increasing the nozzle distance resulted in adverse trends in both stability and nanofluids size. Optimal performance was observed at <em>ω</em> = 0.6%, where Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids exhibited superior stability and smaller sizes. Compared to the one-step mixing in FTIJs, the two-step mixing in FOIJs is inferior stability and thermal conductivity performance. These findings demonstrate that FTIJs effectively intensifies the one-step mixing for Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids preparation, providing a theoretical basis for advanced nanofluids fabrication, as well as expanding existing preparation methodologies and broadening the application potential of free impinging jets.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123539"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Comment on “The solid–liquid equilibrium behavior of ε-CL-20 in 10 pure solvents and its molecular mechanism” 对“ε-CL-20在10种纯溶剂中的固液平衡行为及其分子机理”一文的评析

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-11 DOI: 10.1016/j.ces.2026.123535

Kui Wu , Chaohui Che , Xiaofang Li , Yujiang Ke

引用次数: 0

Investigating the mechanism of CaCO3 sintering in calcium looping conditions 探讨钙环条件下碳酸钙烧结的机理

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-08 DOI: 10.1016/j.ces.2026.123485

Lek Hong Lim , Teik Thye Lim , Grzegorz Lisak , Simon A.T. Redfern , Wen Liu

{"title":"Investigating the mechanism of CaCO3 sintering in calcium looping conditions","authors":"Lek Hong Lim , Teik Thye Lim , Grzegorz Lisak , Simon A.T. Redfern , Wen Liu","doi":"10.1016/j.ces.2026.123485","DOIUrl":"10.1016/j.ces.2026.123485","url":null,"abstract":"<div><div>A crucial factor determining the performance of calcium looping technology is sorbent stability and reactivity, both are significantly influenced by sintering. This study investigates CaCO<sub>3</sub> sintering under calcium looping-relevant conditions—between 500 and 900 °C and up to 60 h, in high CO<sub>2</sub> partial pressures—using commercial CaCO<sub>3</sub> powder and natural limestone as simulated sorbents. Rietveld refinement of synchrotron powder X-ray diffraction (SPXRD) data revealed a sharp decrease in the crystallite size initially, followed by a gradual increase with sintering temperature and duration. Analyses of the surface area models, including the German-Munir (GM) and generalised power law equation (GPLE), identified surface diffusion as the dominant material transport mechanism, with a low apparent activation energy (<em>E<sub>a</sub></em>) of 18 – 33 kJ/mol. The GPLE model demonstrated better surface area prediction, while the GM model provided insights into a possible acceleration of sintering above 800 °C. Modelling of the shrinkage of CaCO<sub>3</sub> powder pellets gives an activation energy (<em>E<sub>a</sub></em>) of 65 ± 13 kJ/mol for densification, potentially due to a synergistic effect between grain boundary diffusion and surface diffusion, as well as experimental factors such as high heating rates and particle size distribution. Surface area modelling was extended to limestone, revealing a similar, but more pronounced transition in sintering behaviour. This transition manifests as a bigger inflection in the GM correlation parameter with temperature at 770 °C, than that of the GM model for CaCO<sub>3</sub>, which was partially linked to dolomite decomposition. The low activation energy obtained for CaCO<sub>3</sub> sintering suggests that facile CaCO<sub>3</sub> migration could be a major contributing factor driving the accelerated sintering of calcium looping sorbents in CO<sub>2</sub> atmospheres.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123485"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Ni3P featuring electron-rich Niδ+ for aqueous-phase hydrogenation of maleic acid 具有富电子Niδ+的Ni3P用于马来酸的水相加氢

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-08 DOI: 10.1016/j.ces.2026.123553

Zhengyu Zhao , Hongmei Bai , Hongwei Zhang , Qunhong Liu , Hui Guo , Xinru Wu , Kewen Zhang , Di Yang , Qingchen Wu , Cejun Hu , Xiaojun Bao , Pei Yuan

{"title":"Ni3P featuring electron-rich Niδ+ for aqueous-phase hydrogenation of maleic acid","authors":"Zhengyu Zhao , Hongmei Bai , Hongwei Zhang , Qunhong Liu , Hui Guo , Xinru Wu , Kewen Zhang , Di Yang , Qingchen Wu , Cejun Hu , Xiaojun Bao , Pei Yuan","doi":"10.1016/j.ces.2026.123553","DOIUrl":"10.1016/j.ces.2026.123553","url":null,"abstract":"<div><div>The aqueous-phase hydrogenation of maleic acid (MAc) represents a sustainable approach to succinic acid (SAc) production, yet its efficiency and stability are hampered by the isomerization of MAc to fumaric acid (FAc) and metal leaching under acidic conditions. Herein, we present a nickel phosphide (Ni<sub>3</sub>P) catalyst for the efficient aqueous hydrogenation of MAc. XPS and XAFS analyses reveal the electronic state of the active Ni<sup>δ+</sup> species in Ni<sub>3</sub>P is modulated by the annealing temperature. Coupled with adsorption thermodynamics and in situ DRIFTS studies, we demonstrate that a higher density of active sites, an increased surface Ni/P ratio, and electron-enriched Ni<sup>δ+</sup> species collectively enhance the adsorption–desorption kinetics of reactants. As a result, the optimized Ni<sub>3</sub>P-400 catalyst achieves complete conversion to SAc with 100% yield and retains full activity over 15 consecutive cycles. These findings underscore the ability of Ni<sub>3</sub>P to tailor the electronic environment of Ni sites, providing a strategy for the design of acid-resistant and high-performance hydrogenation catalysts.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123553"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Experimental investigation of droplet transport enhancement via wedge-rail-embedded avian beak structures 楔轨嵌入鸟喙结构增强液滴输运的实验研究

IF 4.3 2区工程技术

Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-01-23 DOI: 10.1016/j.ces.2026.123434

Zhangyi Li , Jun Bao , Jiayi Zheng

{"title":"Experimental investigation of droplet transport enhancement via wedge-rail-embedded avian beak structures","authors":"Zhangyi Li , Jun Bao , Jiayi Zheng","doi":"10.1016/j.ces.2026.123434","DOIUrl":"10.1016/j.ces.2026.123434","url":null,"abstract":"<div><div>This paper proposes a method to enhance droplet transport efficiency using a bionic beak structure with an embedded wedge-shaped track. By adjusting the beak opening angle (<em>α</em>) to tune the Laplace pressure difference and varying the wedge apex angle (<em>β</em>) to regulate the directional component of the pinning force, the transport of droplets (20 μL, gravity-induced deformation neglected) can be collectively controlled. The residual kinetic energy of droplet motion is further characterized through oscillation duration and morphological analysis. To address the significant gravitational influence on larger droplet volumes (30 μL, 40 μL, and 50 μL), asymmetric wedge tracks were implemented. This design leveraged capillary force differentials to enhance droplet morphology and transport efficiency compared to symmetric counterparts. For 20 μL droplets (<em>α</em> = 4°, <em>β</em> = 6°), the maximum mean velocity and displacement reached 400 ± 5 mm/s and 44 ± 1 mm, respectively. Compared to symmetric designs, the asymmetric configuration enhanced transport efficiency by 92.2 %, 71.8 %, and 51.8 % for 30 μL, 40 μL, and 50 μL droplets, respectively.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123434"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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