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ReaxFF molecular dynamics studies on the impact of reaction conditions in polystyrene conversion through hydrothermal gasification
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-17 DOI: 10.1016/j.ceja.2025.100716
Thi Be Ta Truong , Do Tuong Ha , Hien Duy Tong , Thuat T. Trinh
{"title":"ReaxFF molecular dynamics studies on the impact of reaction conditions in polystyrene conversion through hydrothermal gasification","authors":"Thi Be Ta Truong ,&nbsp;Do Tuong Ha ,&nbsp;Hien Duy Tong ,&nbsp;Thuat T. Trinh","doi":"10.1016/j.ceja.2025.100716","DOIUrl":"10.1016/j.ceja.2025.100716","url":null,"abstract":"<div><div>Microplastics, particularly polystyrene (PS), are significant environmental pollutants due to their persistence and harmful effects on ecosystems and health. To address this issue, we explored hydrothermal gasification (HTG) as a novel approach for PS degradation using molecular dynamics simulations with ReaxFF. Our research reveals that HTG effectively converts PS into renewable syngas through complex reaction pathways influenced by temperature and water content. Temperature is critical in determining the dominant reaction mechanisms and syngas yield, while water plays a dual role of enhancing hydrogen production but also increasing activation energy for PS decomposition. The calculated activation energies vary significantly (198–289 kJ/mol), suggesting that optimizing reaction conditions is essential to maximize efficiency and hydrogen content in the produced syngas. This study provides insights into designing effective strategies for managing PS microplastic waste via hydrothermal gasification, aiming at a more sustainable future by converting plastics into valuable resources.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100716"},"PeriodicalIF":5.5,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Boosting vapor flux in osmotic distillation: A comprehensive evaluation of operating conditions and membrane properties
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-12 DOI: 10.1016/j.ceja.2025.100719
Longxi Zhou, Di He, Zhangxin Wang, Yuanmiaoliang Chen
{"title":"Boosting vapor flux in osmotic distillation: A comprehensive evaluation of operating conditions and membrane properties","authors":"Longxi Zhou,&nbsp;Di He,&nbsp;Zhangxin Wang,&nbsp;Yuanmiaoliang Chen","doi":"10.1016/j.ceja.2025.100719","DOIUrl":"10.1016/j.ceja.2025.100719","url":null,"abstract":"<div><div>Osmotic distillation (OD) presents a promising technique for desalination in seawater electrolysis, but its effectiveness is hindered by low vapor flux and limited operational efficiency. This study employs a theoretical model to evaluate how operating conditions and membrane properties impact OD vapor flux. For conventional membranes, optimizing parameters mitigates concentration and temperature polarization but provides only modest increase in vapor flux, as the membrane contributes the majority of mass transfer resistance. With 0.6 M NaCl/3.5 M K<sub>2</sub>CO<sub>3</sub> as feed/draw solutions, regardless of operating condition, the vapor flux of conventional membranes cannot exceed 0.94 kg m<sup>-2</sup> h<sup>-1</sup>. In contrast, improving membrane properties, which leads to vapor permeability (<span><math><msub><mi>B</mi><mi>m</mi></msub></math></span>) enhancement, offers significantly more potential for increasing vapor flux. However, this improvement must be paired with an increased thermal conduction coefficient (<span><math><msub><mi>K</mi><mrow><mi>m</mi><mo>,</mo><mi>d</mi></mrow></msub></math></span>) to avoid severe temperature polarization. Furthermore, our modeling results further indicate that operating condition optimization has a markedly larger impact on advanced membranes with improved <span><math><msub><mi>B</mi><mi>m</mi></msub></math></span> and <span><math><msub><mi>K</mi><mrow><mi>m</mi><mo>,</mo><mi>d</mi></mrow></msub></math></span> than conventional membranes (60.7 % vs. 8.3 % vapor flux increase). These findings underscore the necessity for research efforts to prioritize the advancement of membrane design, while subsequent studies can focus on optimizing operating conditions alongside these improved membranes. This approach will significantly improve OD vapor flux and provide critical insights for the future development of OD technology, thereby facilitating its application in seawater electrolysis.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100719"},"PeriodicalIF":5.5,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heterogeneous solid acid catalysts for sustainable biodiesel production from wastewater-derived sludge: A systematic and critical review
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-10 DOI: 10.1016/j.ceja.2025.100718
Mohsen Ansari , Hamzehali Jamali , Reza Ghanbari , Mohammad Hassan Ehrampoush , Parvin Zamani , Behnam Hatami
{"title":"Heterogeneous solid acid catalysts for sustainable biodiesel production from wastewater-derived sludge: A systematic and critical review","authors":"Mohsen Ansari ,&nbsp;Hamzehali Jamali ,&nbsp;Reza Ghanbari ,&nbsp;Mohammad Hassan Ehrampoush ,&nbsp;Parvin Zamani ,&nbsp;Behnam Hatami","doi":"10.1016/j.ceja.2025.100718","DOIUrl":"10.1016/j.ceja.2025.100718","url":null,"abstract":"<div><div>This comprehensive review has systematically examined the use of heterogeneous solid acid catalysts in producing biodiesel from wastewater-derived sludge using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) methodology. It highlighted the composition and characteristics of wastewater-derived sludge, presenting both the opportunities and challenges associated with its use as a feedstock for biodiesel production. Various types of catalysts were discussed, with a detailed exploration of heterogeneous solid acid catalysts, including zeolites, hetero-polyacid (HPA), mixed metal oxides, and sulphonic acid group catalysts. The advantages and limitations of these catalysts were critically analyzed, providing a balanced view of their potential for industrial applications. The application section delved into the catalytic transesterification reaction, mechanisms of biodiesel production, and effects of catalyst loading on the yield. Performance metrics, such as catalytic activity, stability, recyclability, cost-effectiveness, and environmental impact, were thoroughly evaluated, offering a clear understanding of the efficacy of these catalysts. The synthesis and characterization techniques were also reviewed, shedding light on the latest preparation methods and characterization techniques. Recent advances in catalyst development were presented, showcasing the innovative strides made in enhancing catalyst performance. The environmental and economic implications of using solid acid catalysts for biodiesel production were assessed, emphasizing the importance of sustainability and financial viability.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100718"},"PeriodicalIF":5.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel poly(ether sulfone isopropyl sulfide) support layer in thin film composite membrane for desalination
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-10 DOI: 10.1016/j.ceja.2025.100717
Armaghan Moghaddam, Shahram Mehdipour-Ataei, Samal Babanzadeh
{"title":"Novel poly(ether sulfone isopropyl sulfide) support layer in thin film composite membrane for desalination","authors":"Armaghan Moghaddam,&nbsp;Shahram Mehdipour-Ataei,&nbsp;Samal Babanzadeh","doi":"10.1016/j.ceja.2025.100717","DOIUrl":"10.1016/j.ceja.2025.100717","url":null,"abstract":"<div><div>The aim of this research was to design a new polysulfone for the support layer of thin film composite (TFC) membranes and compare it with commercial structures for desalination applications. Accordingly, a novel random terpolymer was synthesized using the polycondensation reaction of bisphenol A and thiodiphenol with dichlorodiphenyl sulfone, comprising both methyl and sulfide groups in the backbone of the polymer. Subsequently, three asymmetric support layers were prepared using: the terpolymer, a polymer blend based on commercial polysulfone and a sulfide-containing polysulfone, and commercial polysulfone. Next, TFCs were prepared through the interfacial polymerization of polyamide on aforementioned support layers. Characterization was performed using <sup>1</sup>H NMR, FTIR, GPC, tensile test, water contact angle, DSC, TGA, SEM, ATR-FTIR, AFM, and zeta potential analyses. M<sub>w</sub>, Young's modulus, and contact angle of prepared terpolymer were 88,000 g.mol<sup>−1</sup>, 3684 MPa, and 59˚ which were predominant properties in respect to commercial polysulfone with 66,000 g.mol<sup>−1</sup>, 2541 MPa, and 73˚ values, respectively. AFM analysis showed that the mean difference between the highest peaks and lowest valleys increased from 79 nm for commercial polysulfone to 219 nm for synthesized terpolymer. Finally, superior performance was observed for the terpolymer-based TFC with 97% NaCl rejection and excellent 91.8% saline solution flux recovery when tested against NaCl salt and BSA as a natural biofoulant. Long-term stability of water flux and salt rejection were observed as well, reaching ∼ 27 L.m<sup>−2</sup>.h<sup>−1</sup> and 97.5% values, respectively. The results indicated that this terpolymer could be a promising substitute for commercial polysulfone in water purification membranes.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100717"},"PeriodicalIF":5.5,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative immobilization of lead, cadmium, and copper in soil using dead bacterial biomass and graphitic carbon nitride nanomaterials
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-06 DOI: 10.1016/j.ceja.2025.100714
Asifa Farooqi , Ejaz ul Haq , Hooria Ikram Raja , Hafiz Abdul Malik , Yousaf Shad Muhammad , Syed Hamza Safeer , Sohail Yousaf , Maximilian Lackner
{"title":"Comparative immobilization of lead, cadmium, and copper in soil using dead bacterial biomass and graphitic carbon nitride nanomaterials","authors":"Asifa Farooqi ,&nbsp;Ejaz ul Haq ,&nbsp;Hooria Ikram Raja ,&nbsp;Hafiz Abdul Malik ,&nbsp;Yousaf Shad Muhammad ,&nbsp;Syed Hamza Safeer ,&nbsp;Sohail Yousaf ,&nbsp;Maximilian Lackner","doi":"10.1016/j.ceja.2025.100714","DOIUrl":"10.1016/j.ceja.2025.100714","url":null,"abstract":"<div><div>Heavy metals (HM) are known to pose severe harm to the soil, crops, and human beings. The usefulness and efficiency of metal immobilization of Pb, Cd, and Cu ions using different doses of dead bacterial biomass (BM) and graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) was evaluated and compared in spiked soil. The effectiveness of BM and g-C<sub>3</sub>N<sub>4</sub> to immobilize metals in soil depends on the metal characteristics, dose of adsorbent, and contact time. The soil was spiked with two different metal concentrations. When comparing the two adsorbents, there was no significant difference observed in the immobilization of metals. Results showed a significant relationship between BM, g-C<sub>3</sub>N<sub>4,</sub> and metal fractions. At 200 mg kg<sup>-1</sup> BM, the increase in the RS fraction (residual fraction) of Pb, Cd, and Cu was 42, 44, and 68 %, respectively. At 200 mg kg<sup>-1</sup> g-C<sub>3</sub>N<sub>4,</sub> the RS fraction of Pb, Cd, and Cu was 48, 43, and 83 %, respectively. The maximum reduction in the exchangeable metal fraction was observed during the first 3 days of incubation. The adsorption of metals increased with time. Cu showed the highest adsorption (57 %) followed by Cd and Pb. The Cd adsorption increased from 35 % at Cd_125 to ∼55 % at Cd_275. There was no noticeable variation in the adsorption of Cu and relatively higher adsorption (35 %) was observed at Pb_160 and dropped to 30 % at Pb_330. The present study suggests using dead bacterial biomass as a cost-effective and environmentally benign adsorbent for the remediation of HM-contaminated soils instead of chemically synthesized nanomaterials.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100714"},"PeriodicalIF":5.5,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143216339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Redox-mediated reverse water gas shift integrated with ammonia cracking over Ni/La0.75Sr0.25Cr0.5Mn0.5O3−δ
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-03 DOI: 10.1016/j.ceja.2025.100713
Martin Keller , Shih-Yuan Chen , Atul Sharma
{"title":"Redox-mediated reverse water gas shift integrated with ammonia cracking over Ni/La0.75Sr0.25Cr0.5Mn0.5O3−δ","authors":"Martin Keller ,&nbsp;Shih-Yuan Chen ,&nbsp;Atul Sharma","doi":"10.1016/j.ceja.2025.100713","DOIUrl":"10.1016/j.ceja.2025.100713","url":null,"abstract":"<div><div>NH<sub>3</sub> and CO<sub>2</sub> can react to produce syngas (H<sub>2</sub> + CO), which serves as a feedstock for the production of chemicals or synthetic fuels. Combining NH<sub>3</sub> cracking (NH<sub>3</sub> → 0.5N<sub>2</sub> + 1.5H<sub>2</sub>) and the redox-mediated reverse water gas shift reaction (RWGS, CO<sub>2</sub> + H<sub>2</sub> → CO + H<sub>2</sub>O), we propose the “NH<sub>3</sub>-RWGS” process in a two-reactor system that can produce N<sub>2</sub>-free syngas without requiring a downstream gas separation step. We investigate the role of La<sub>0.75</sub>Sr<sub>0.25</sub>Cr<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>3−δ</sub> (LSCM) in the redox-mediated RWGS, combined with a stabilized Ni catalyst to impart NH<sub>3</sub> cracking functionality. The mixture of LSCM and Ni catalyst at a weight ratio of 10:1 increases the NH<sub>3</sub> cracking activity fivefold compared to using only LSCM. Because the reduction of LSCM proceeds through a two-step mechanism that requires the prior cracking of NH<sub>3</sub>, it also substantially increases the redox reactivity of LSCM. The Ni catalyst exhibits undesirable nitrogen uptake at ∼500 °C, and the redox capacity of LSCM with NH<sub>3</sub> and CO<sub>2</sub> decreases with temperature. Therefore, the process is best implemented at ∼600 °C. Under these conditions, the application of the “NH<sub>3</sub>-RWGS” process with mixtures of LSCM and Ni catalyst is promising to produce high-quality, N<sub>2</sub>-free syngas directly from NH<sub>3</sub> and CO<sub>2</sub>.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100713"},"PeriodicalIF":5.5,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Techno-economic aspects of concrete lightweighting by char enrichment with phosphates from wastewater
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-02-02 DOI: 10.1016/j.ceja.2025.100712
Josef Marousek , Beata Gavurova , Anna Marouskova , Babak Minofar
{"title":"Techno-economic aspects of concrete lightweighting by char enrichment with phosphates from wastewater","authors":"Josef Marousek ,&nbsp;Beata Gavurova ,&nbsp;Anna Marouskova ,&nbsp;Babak Minofar","doi":"10.1016/j.ceja.2025.100712","DOIUrl":"10.1016/j.ceja.2025.100712","url":null,"abstract":"<div><div>Portland cement (PC) production is a major contributor to environmental pollution due to its resource and energy – intensive nature, ranking as the 3rd largest source. Humans excrete approximately 5 g of phosphorus (P) day<sup>-1</sup>, which is often precipitated by salts into hardly applicable minerals such as struvite (in developed countries) or contributes to eutrophication (in developing countries). Worldwide, biogas plants produce a billion tons of digestate daily. Proposed solutions involve dewatering, charring and activation of digestate that is subsequently used to sorb P from wastewater and used as a PC substitute. Unique laboratory findings indicate that iron phosphates (FeP) on charred digestate can enhance concrete strength parameters (up to 80 %); reducing weight (- 18 %) and production cost (- 4 %) while turning carbon emissions into carbon sequestration. The mechanisms behind the experimental results are investigated through molecular modeling. It is revealed that interactions of char and FeP enhance aggregates, forming stronger contact ion pairs and increasing concrete strength and durability. Although the concept brings many technical, economic, and environmental improvements, further analyses are needed, especially regarding scaling up and the durability of the concrete.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100712"},"PeriodicalIF":5.5,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143378660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Aza-aromatic spiropyrans: An efficient strategy to achieve rapid solid state photochromic response by the synergistic effect of enhanced π-electron delocalization ability and free volume
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-01-29 DOI: 10.1016/j.ceja.2025.100711
Congshu Huang , Jiu-Long Li , Tongli Liu , Xiyu Yang , Zhipeng Xie , Jingjing Wang , Haiyan Zhuang , Junhao Xue , Weifeng Bu
{"title":"Aza-aromatic spiropyrans: An efficient strategy to achieve rapid solid state photochromic response by the synergistic effect of enhanced π-electron delocalization ability and free volume","authors":"Congshu Huang ,&nbsp;Jiu-Long Li ,&nbsp;Tongli Liu ,&nbsp;Xiyu Yang ,&nbsp;Zhipeng Xie ,&nbsp;Jingjing Wang ,&nbsp;Haiyan Zhuang ,&nbsp;Junhao Xue ,&nbsp;Weifeng Bu","doi":"10.1016/j.ceja.2025.100711","DOIUrl":"10.1016/j.ceja.2025.100711","url":null,"abstract":"<div><div>Spiropyran is a well-established photochromic material. However, its intrinsic structural limitations render it challenging to exhibit ideal photochromic properties in its pure solid state. Typically, the photochromic properties in its solid state can only be achieved by introducing large steric hindrance groups, which may impede their further development. In this article, we proposed a novel design strategy by embedding several electron-deficient aza-aromatic rings to construct serial donor-acceptor (D-A) conjugated spiropyran derivatives (SP-3Py, SP-Py, and SP-Md). This approach not only provides sufficient free space for effective photoisomerization in the solid state but also effectively improves their π-electron delocalization ability via the electron-deficient nitrogen heterocyclic properties, which can significantly enhance their photochromic rate. The three aza-aromatic spiropyran derivatives exhibited rapid solid-state photoresponsivity (5–10 s) and excellent photochromic performance through the above synergistic strategies. Moreover, the D-A building block of the aza-aromatic spiropyrans can markedly tune their color-switching range. Following irradiation, all the aza-aromatic spiropyrans exhibited a blue color, potentially expanding their application fields. Our investigation indicates that introducing aza-aromatic rings to construct D-A-type spiropyrans can significantly enhance their solid-state photochromic performance, even without strong electron-deficient moieties or large steric hindrance groups, providing a concise and efficient strategy for the design of high-performance solid-state photochromic spiropyran derivatives.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100711"},"PeriodicalIF":5.5,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142947","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mild reductive catalytic depolymerization of lignin in a continuous flow reactor using a Cu-enhanced Pd catalyst
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-01-27 DOI: 10.1016/j.ceja.2025.100710
Tibo De Saegher , Jonas Elmroth Nordlander , Filip Hallböök , Boyana Atanasova , Pieter Vermeir , Kevin M. Van Geem , Jeriffa De Clercq , An Verberckmoes , Christian Hulteberg , Jeroen Lauwaert
{"title":"Mild reductive catalytic depolymerization of lignin in a continuous flow reactor using a Cu-enhanced Pd catalyst","authors":"Tibo De Saegher ,&nbsp;Jonas Elmroth Nordlander ,&nbsp;Filip Hallböök ,&nbsp;Boyana Atanasova ,&nbsp;Pieter Vermeir ,&nbsp;Kevin M. Van Geem ,&nbsp;Jeriffa De Clercq ,&nbsp;An Verberckmoes ,&nbsp;Christian Hulteberg ,&nbsp;Jeroen Lauwaert","doi":"10.1016/j.ceja.2025.100710","DOIUrl":"10.1016/j.ceja.2025.100710","url":null,"abstract":"<div><div>Mild reductive catalytic depolymerization (MRCD) of lignin offers a sustainable route to produce functionalized aromatic compounds. However, the economic viability is hindered by the need for expensive palladium (Pd) catalysts and the limited exploration of continuous flow reactors (CFRs), which are essential to achieve an adequate production scale. This study examines the impact of partial replacement of Pd with copper (Cu) on the performance, selectivity, active site characteristics, and deactivation of a γ-Al<sub>2</sub>O<sub>3</sub> supported Pd catalyst in MRCD of lignin using a CFR. Despite containing 49 % less Pd, the PdCu catalyst achieves the same depolymerization degree as the Pd catalyst over 200 min of time on stream. During the reaction, metallic Pd is formed within the Pd catalyst and both a smaller (unordered) and larger (ordered FCC) metallic PdCu phase within the PdCu catalyst. The enhanced performance of the PdCu catalyst is attributed to synergistic effects between Pd and Cu and presence of differently sized metallic phases. A minimal impact of Cu on the selectivity, even in monomer yields, was observed. For both catalysts, the primary cause of deactivation is the hydration of the γ-Al<sub>2</sub>O<sub>3</sub> support to boehmite, leading to loss of its acidity and morphological changes. Metal leaching and poisoning are insignificant, while nanoparticle growth likely arises from the reduction of the metallic phases during reaction. Only a very small amount of coke deposition is observed. Overall, the cost-effective partial replacement of Pd with of Cu forms metallic PdCu alloys during the reaction, enhancing activity without adversely affecting selectivity or deactivation.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"22 ","pages":"Article 100710"},"PeriodicalIF":5.5,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent research on chemically modifying the surface of zero-valent iron: A mini review
IF 5.5
Chemical Engineering Journal Advances Pub Date : 2025-01-21 DOI: 10.1016/j.ceja.2025.100709
Zhendong Li , Wei Ye , Huiting Li , Jianzhe Qiao , Yunyi Du , Zhujun Dong , Lichun Fu , Yuwei Pan
{"title":"Recent research on chemically modifying the surface of zero-valent iron: A mini review","authors":"Zhendong Li ,&nbsp;Wei Ye ,&nbsp;Huiting Li ,&nbsp;Jianzhe Qiao ,&nbsp;Yunyi Du ,&nbsp;Zhujun Dong ,&nbsp;Lichun Fu ,&nbsp;Yuwei Pan","doi":"10.1016/j.ceja.2025.100709","DOIUrl":"10.1016/j.ceja.2025.100709","url":null,"abstract":"<div><div>Zero-valent iron (ZVI) is a widely employed material for environmental remediation due to its capability to effectively degrade or reduce various pollutants. The enhancement of its reactivity and applicability can be achieved through chemical surface modification. Chemical surface modification involves introducing specific chemical functional groups onto the surface of ZVI, altering its surface chemical properties and structural morphology. This article provides an overview of the advancements made in four commonly used chemical modifications of ZVI, namely ZVI sulfide, ZVI silicide, ZVI oxalate, and ZVI phosphate. The review examines the impacts of these four different modified compounds on the surface structure and reactivity of ZVI, as well as elucidates the mechanisms by which modified ZVI interacts with and removes pollutants. Furthermore, the article discusses the prospects and challenges associated with modified ZVI, offering valuable insights for future research and the application of environmental remediation technologies.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100709"},"PeriodicalIF":5.5,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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