Chemical Engineering Science最新文献_第10页

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

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-10 DOI: 10.1016/j.ces.2024.120924

Hui Wang , Hongtu Zhao , Wenbo Wu , Shifan Xu , Na Wang , Ting Wang , Xin Huang , Lina Zhou , Ying Bao , Hongxun Hao

{"title":"The solid–liquid equilibrium behavior of ε-CL-20 in 10 pure solvents and its molecular mechanism","authors":"Hui Wang , Hongtu Zhao , Wenbo Wu , Shifan Xu , Na Wang , Ting Wang , Xin Huang , Lina Zhou , Ying Bao , Hongxun Hao","doi":"10.1016/j.ces.2024.120924","DOIUrl":"10.1016/j.ces.2024.120924","url":null,"abstract":"<div><div>The solubility performance of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane has been investigated by the combination of experimental measurement, solvent parameter analysis, and molecular simulation methods. The solubility in 10 pure solvents at 293.15 K to 343.15 K was determined. It was found that the solubility in nine solvents increased with temperature, except for isoamyl propionate. However, it has the largest solubility in isoamyl propionate (4.36 × 10<sup>−2</sup> ∼ 5.39 × 10<sup>−2</sup>). Additionally, a correlation analysis was performed using four equations, which showed that the NRTL equation provided the best fit (overall average relative deviation = 3.74 %, overall coefficient of determination = 0.991). Moreover, the solvent effect was analyzed by Hansen solubility parameters, predicting good solubility in solvents with <em>R</em><sub>a(V)</sub> ≤ 12.47 MPa<sup>0.5</sup> or Δ<em>δ</em><sub>t</sub> ≤ 7.77 MPa<sup>0.5</sup>, indicating weak polarity of solvent and weak solvent–solvent intermolecular hydrogen bonds enhance dissolution. Furthermore, molecular electrostatic potential surface and radial distribution function analyses provided that weak hydrogen bonding C-H···O promotes dissolution.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120924"},"PeriodicalIF":4.1,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597447","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

Ideal Co-NiO solid solution with excellent low-temperature propene catalytic combustion performance 具有优异低温丙烯催化燃烧性能的理想 Co-NiO 固体溶液

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-09 DOI: 10.1016/j.ces.2024.120923

Shuxian Bi , Xicai Tian , Yuan Shu , Zequn Zhang , Qian Liu , Pengfei Zhang , Zhenghong Luo

{"title":"Ideal Co-NiO solid solution with excellent low-temperature propene catalytic combustion performance","authors":"Shuxian Bi , Xicai Tian , Yuan Shu , Zequn Zhang , Qian Liu , Pengfei Zhang , Zhenghong Luo","doi":"10.1016/j.ces.2024.120923","DOIUrl":"10.1016/j.ces.2024.120923","url":null,"abstract":"<div><div>Doping engineering of transitional metal oxides offers a great opportunity to further optimize the performance of corresponding catalysts. Here, we presented a solid-state co-precipitation routine to synthesize the Co-NiO ideal solid solution, where Co atoms achieved nearly atomically isolation in the NiO lattice matrix. Remarkably a clear correlation was established between the reactivity for propene combustion and the Co dopant amounts, with the propene combustion rate increasing proportionally to the Co dopant amounts. The homogeneously dispersed Co single atoms or tiny CoO<sub>x</sub> nanoclusters ensure this linear relationship. More importantly, due to the emergence of Co single atoms and CoO<sub>x</sub> nanoclusters with a lower coordination number, significant propene adsorption and subsequent C = C bond dissociation were observed in this Co-doped NiO, which improved the propene combustion reaction rate. Therefore, this solid-state co-precipitation strategy provides an effective doping route for building an ideal doped solid solution.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120923"},"PeriodicalIF":4.1,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596450","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

A novel adsorptive membrane for rare earth recovery prepared by facile UV grafting using 3,3′, 4,4′-benzophenone tetracarboxylic acid (BTA) 利用 3,3′,4,4′-二苯甲酮四羧酸 (BTA) 通过紫外线接枝法制备用于稀土回收的新型吸附膜

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-09 DOI: 10.1016/j.ces.2024.120889

Honghe Song , Haiyan Zhu , Rui Wang , Shumei Wen , Chenghu Yan , Wei Cong

引用次数: 0

One-step in-situ synthesis of nickel–cobalt sulfide catalysts for ultra-efficient electrooxidation of 5-hydroxymethylfurfural 一步原位合成用于 5-羟甲基糠醛超高效电氧化的硫化镍钴催化剂

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120919

Lili Geng , Sen Li , Haifeng Shi , Ruijie Li , Yongming Zeng , Ley Boon Sim , Binghui Chen

{"title":"One-step in-situ synthesis of nickel–cobalt sulfide catalysts for ultra-efficient electrooxidation of 5-hydroxymethylfurfural","authors":"Lili Geng , Sen Li , Haifeng Shi , Ruijie Li , Yongming Zeng , Ley Boon Sim , Binghui Chen","doi":"10.1016/j.ces.2024.120919","DOIUrl":"10.1016/j.ces.2024.120919","url":null,"abstract":"<div><div>This study presents Ni<sub>7</sub>Co<sub>3</sub>-S achieving 99.2 % HMF conversion, 96.1 % FDCA yield, and 98.5 % Faradaic efficiency at 1.45 V, with FDCA rates at 266.7 µmol cm<sup>-2</sup>h<sup>−1</sup> in a 30 mL, 20 mM HMF electrolyte. At the same operational potential, this catalyst achieved a current density of 105 mA cm<sup>−2</sup> in 1 M KOH with 20 mM HMF, outperforming 26mA cm<sup>−2</sup> of Ni<sub>7</sub>Co<sub>3</sub>-O. Linear sweep voltammetry (LSV) analysis reveals that Ni<sub>7</sub>Co<sub>3</sub>-S has an onset potential of 1.16 V, which is 90 mV lower than Ni<sub>7</sub>Co<sub>3</sub>-O. With a Tafel slope of 89.1 mV dec<sup>-1</sup>, versus 110.3 mV dec<sup>-1</sup> for Ni<sub>7</sub>Co<sub>3</sub>-O, Ni<sub>7</sub>Co<sub>3</sub>-S exhibits quicker reaction kinetics. Additionally, Ni<sub>7</sub>Co<sub>3</sub>-S boasts double-layer capacitance twice that of Ni<sub>7</sub>Co<sub>3</sub>-O, while sulfidation decreases in Ni<sup>2+</sup> and Co<sup>3+</sup> alongside an increase in Ni<sup>3+</sup> and Co<sup>2+</sup>, suggesting enhanced electron transfer from Ni to Co. These insights offer a strategy for developing high-performance, non-precious catalysts for HMF electrooxidation.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120919"},"PeriodicalIF":4.1,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596452","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

How does structured adsorbent channel heterogeneity influence the efficiency of adsorptive CO2 capture? 结构化吸附剂通道的异质性如何影响吸附式二氧化碳捕获的效率？

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120917

Benjamin Claessens

引用次数: 0

Electrochemical synthesized copper mesh catalysts for catalytic combustion: A comprehensive study of Mn doping and atmospheric conditions during calcination 用于催化燃烧的电化学合成铜网催化剂：锰掺杂和煅烧过程中大气条件的综合研究

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120911

Qi Liu , Haoran Wu , Haoyuan Gu , Yu Qiang , Jing He , Shengbin Dong , Didi Li , Zhaocong Jiang , Minghui Zhu

{"title":"Electrochemical synthesized copper mesh catalysts for catalytic combustion: A comprehensive study of Mn doping and atmospheric conditions during calcination","authors":"Qi Liu , Haoran Wu , Haoyuan Gu , Yu Qiang , Jing He , Shengbin Dong , Didi Li , Zhaocong Jiang , Minghui Zhu","doi":"10.1016/j.ces.2024.120911","DOIUrl":"10.1016/j.ces.2024.120911","url":null,"abstract":"<div><div>Metal-based monolithic catalysts offer significant advantages in heterogeneous catalysis attributed to their exceptional thermal conductivity and mechanical strength. However, controlling the loading of active components on metallic substrates remains a major challenge. Here, we synthesized a Mn-doped Cu mesh catalyst using a facile electrochemical method, allowing the active components to grow directly on Cu mesh without extra pretreatments or binding agents. The synthesized catalyst exhibits approximately a 30 % increase in carbon monoxide oxidation activity at 100 °C and a 60 % increase in toluene oxidation activity at 240 °C compared to the Mn-free Cu mesh catalyst. We found that calcination in inert gases enhances interactions between Cu and Mn species, leading to more oxygen vacancies and adsorption sites for reactants. This investigation paves the way for fabricating multi-metal monolithic catalysts on metallic substrates.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120911"},"PeriodicalIF":4.1,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596453","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

Supercritical PArticle formation (SPAF) process for the versatile production of ready-to-market drug delivery systems 超临界颗粒形成（SPAF）工艺，用于多功能生产即用型给药系统

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120918

Daniele Sofia , Massimo Moffa , Paolo Trucillo

引用次数: 0

Activation of iridium site based on IrO2 catalysts towards highly stable PEM water electrolyzer 基于 IrO2 催化剂的铱位点活化，实现高度稳定的 PEM 水电解槽

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120912

Hongmei Gao , Chi Song , Ru Chen , Tianyu Wu , Jun Zou , Shiqian Du , Chung-Li Dong , Yu-Cheng Huang , Rilong Zhu , Yanan Wang , Shuangyin Wang

{"title":"Activation of iridium site based on IrO2 catalysts towards highly stable PEM water electrolyzer","authors":"Hongmei Gao , Chi Song , Ru Chen , Tianyu Wu , Jun Zou , Shiqian Du , Chung-Li Dong , Yu-Cheng Huang , Rilong Zhu , Yanan Wang , Shuangyin Wang","doi":"10.1016/j.ces.2024.120912","DOIUrl":"10.1016/j.ces.2024.120912","url":null,"abstract":"<div><div>The exploitation of anode electrocatalysts with high activity and stability remains an enormous challenge in proton exchange membrane (PEM) water electrolyzer. Here we doped Mn to activate Ir site in IrO<sub>2</sub> through the molten salt sealing method, and the optimized Mn<sub>0.1</sub>Ir<sub>0.9</sub>O<sub>2</sub> exhibited superior OER performance. Mn doping optimized the electronic structure and dominant crystal planes of IrO<sub>2</sub>, as evidenced by our complementary characterizations. Impressively, the Mn<sub>0.1</sub>Ir<sub>0.9</sub>O<sub>2</sub> exhibits superior performance in the PEM water electrolyzer, only requiring 1.79 V to attain 1 A cm<sup>−2</sup> and offering long-term stability over 1200 h (attenuated only 17.5 μV h<sup>−1</sup> compared to 1.27 mV/h for the original sample). DFT calculation shows Mn doping could activate Ir site, thus reducing the energy barrier of the rate-determining step for promoting OER. This work provides a strategy to design high-tolerance catalysts for the PEM water electrolyzer in actual working conditions.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120912"},"PeriodicalIF":4.1,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596451","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 single drop breakup in a confined turbulent wall-jet – Effect of Weber number 密闭湍流壁面喷流中单滴破裂的实验研究--韦伯数的影响

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-08 DOI: 10.1016/j.ces.2024.120920

Andreas Håkansson, Peyman Olad

引用次数: 0

Hollow silicalite-1 encapsulated nickel nanoparticles as highly stable catalysts in maleic anhydride hydrogenation 在顺丁烯二酸酐氢化过程中作为高稳定性催化剂的中空硅铝酸盐-1 包封镍纳米粒子

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2024-11-07 DOI: 10.1016/j.ces.2024.120913

Jianguo Zhuang , Yingjie Guan , Bihong Li , Haidan Wu , Jisheng Yu , Siyan Yan , Zhaojie Su , Tianyun Wang , Xuedong Zhu , Fan Yang

{"title":"Hollow silicalite-1 encapsulated nickel nanoparticles as highly stable catalysts in maleic anhydride hydrogenation","authors":"Jianguo Zhuang , Yingjie Guan , Bihong Li , Haidan Wu , Jisheng Yu , Siyan Yan , Zhaojie Su , Tianyun Wang , Xuedong Zhu , Fan Yang","doi":"10.1016/j.ces.2024.120913","DOIUrl":"10.1016/j.ces.2024.120913","url":null,"abstract":"<div><div>Anchoring active metal particles in zeolite cages can significantly improve catalytic stability. In this study, hollow silicalite-1 (HoS-1) encapsulated Ni nanoparticles catalyst (Ni@HoS-1) was prepared using the impregnation method and applied in MA hydrogenation. The encapsulation mechanism was explained as the zeolite wall restricting the evaporation of water in HoS-1, hence Ni particles would be spontaneously enriched within the zeolite cage after drying and calcination. Experiments revealed the specially designed structure effectively protected Ni particles from leaching, and after 5 cycles in liquid-phase batch reactions, the final MA conversion of Ni@HoS-1 is 40.8 % higher than that of Ni/S-1 (85.5 % <em>vs</em> 44.7 %). Moreover, the low acidity of Ni@HoS-1 also delayed the accumulation of carbon deposits, extending the continuous reaction lifespan from 128 h of Ni/S-1 to 188 h. These findings provided a new perspective for the controllable locating of active metal sites against the supports.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"302 ","pages":"Article 120913"},"PeriodicalIF":4.1,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594481","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