Industrial & Engineering Chemistry Research最新文献

{"title":"Multifunctional Liquid Metal Flexible Bridging MWCNT/PDMS for Thermal Management: Balanced High Thermal Conductivity and Conformability","authors":"Xiaoyao Zhou, Danyang Cao, Yongguang Yu, Qilong Zhou, Lisong Dong, Jiahua Zhu, Liwen Mu","doi":"10.1021/acs.iecr.5c01269","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01269","url":null,"abstract":"Balancing the relationship between thermal conductivity and conformability is crucial to overcoming the limitations of high-performance thermal interface materials. In this work, we design a filler soft bridge structure for interface modification, where liquid metal (LM) bridges polydimethylsiloxane (PDMS) and multiwalled carbon nanotubes (MWCNT) to simultaneously enhance both thermal conductivity and conformability. By optimizing the interfacial interactions, the LM volume fraction of up to 80% can be achieved while ensuring the fluidity of the thermally conductive silicone grease. Compared to thermally conductive silicone grease without interfacial construction, the thermal conductivity is increased by 40%, reaching 10.412 W·m^–1·K^–1. Moreover, the prepared LM thermally conductive silicone grease demonstrates excellent conformability (spreadability and adhesion), providing a safe, reliable, and effective solution for heat dissipation in electronic devices.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"134 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165608","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}

{"title":"Uncovering Photocatalytic Mechanisms of Al2W3O12: From a Low-Positive Thermal Expansion Ceramic to an Efficient Visible-Light-Driven Photocatalyst","authors":"Jessica Gil-Londoño, Klaus Krambrock, Victor Magno Paiva, Marco Cremona, Arthur R. J. Barreto, Eliane D’Elia, Bojan A. Marinkovic","doi":"10.1021/acs.iecr.5c01399","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01399","url":null,"abstract":"The development of high-performance visible-light photocatalysts is crucial for advancing environmental remediation technologies. Here, we demonstrate for the first time the successful application of oxygen-deficient Al₂W₃O₁₂ nanopowders, valued for their low-positive thermal expansion, as efficient visible-light-driven photocatalysts. Synthesized through controlled thermal treatments, these materials were tested for photocatalytic activity by degrading tetracycline (TC) and 4-chlorophenol (4-CP) under visible-light radiation. Comprehensive mechanistic studies, including electron paramagnetic resonance (EPR) spin-trapping, electrochemical analysis, and reactive oxygen species (ROS) scavenging experiments, provide the first insights into the photocatalytic mechanisms of Al₂W₃O₁₂, revealing that oxygen vacancies play a pivotal role by extending visible-light absorption, improving charge carrier separation and migration, and boosting ROS generation. Notably, electronic holes and hydroxyl radicals were identified as the dominant ROS in pollutant degradation. These findings expand the functional scope of Al₂W₃O₁₂ in photocatalysis and establish a new approach for optimizing other tungstate-based materials, offering significant potential for environmental remediation and sustainable energy applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"5 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165610","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}

{"title":"Heat Loss Quantification and Heat Transfer in Rotary Kilns for Calcination and Clinker Formation: From Combustion and Electrification at 150 kW to Industrial Scale","authors":"Ibrahim Qasim, Adrian Gunnarsson, Fredrik Normann, Bodil Wilhelmsson, Alexander Zether, Klas Andersson","doi":"10.1021/acs.iecr.5c00704","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00704","url":null,"abstract":"This study investigates heat transfer conditions and quantifies heat losses in a 150 kW rotary kiln with passing bed material. Measurements of gas and wall temperatures, gas compositions, and radiative heat transfer were conducted for propane combustion, oxygen-enriched propane, and resistance heating. Mass and energy balance results identify air leakage, flue gas losses, and surface heat losses as key heat loss mechanisms. For propane combustion, flue gas and surface losses accounted for 29 and 38% of total energy input, respectively. Oxygen-enriched propane reduced flue gas losses to 21%, while surface losses increased to 47% due to localized heat spots. Resistance heating provided uniform temperatures, with 52% surface losses and minimal 5% flue gas losses. Scaling analysis showed reduced surface losses at industrial scales─11% for propane, 12% for oxygen-enriched combustion, and 16% for electrification, while flue gas losses were 43, 19, and 5%, respectively. Energy transfer efficiency for calcination was quantified at 45% for propane and 60% for electrification. This work establishes a validated framework for measuring, quantifying, and scaling heat losses in rotary kilns.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165473","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}

{"title":"Computational Strategies for RTN Model for Supply Logistics of Carbon Dioxide for Carbon Capture and Storage","authors":"Soumya Shikha, Joelle Guisso, Anna Robert, Nouha Dkhili, Parveen Kumar, Ignacio E. Grossmann","doi":"10.1021/acs.iecr.5c00695","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00695","url":null,"abstract":"In this paper, we address the solution of a large-scale mixed-integer linear programing (MILP) model to maximize profit for shipping cryogenic carbon dioxide in Carbon Capture and Storage field management systems. The model is based on a discrete-time Resource Task Network as discussed in Guisso et al. (2024), where inventory levels of carbon dioxide at the ports are determined along with the decision variables determined at each time interval. To solve the resulting large-scale MILP model, decomposition techniques based on bilevel decomposition and two-stage optimization decomposition are first proposed for the simpler case where trips (or milk runs) between emitter ports are not considered. For the real-life case that allows milk runs, a Lagrangean decomposition is proposed with a shrinking time horizon strategy for the solution of subproblems for long time horizons. Numerical results are presented to illustrate the application of the proposed decomposition techniques, which show that significant computational savings up to 1 order of magnitude reduction can be achieved.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"36 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165474","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}

{"title":"Nanoscale Interactions in a Multifunctional Ni–Fe–Ca–Mg–Al–O Chemical Looping Material","authors":"Soumya Kumar Das, Lukas C. Buelens, Valentijn De Coster, Stavros-Alexandros Theofanidis, Alessandro Mirone, Christoph Sahle, Christophe Detavernier, Hilde Poelman, Dirk Poelman, Alessandro Longo, Vladimir Galvita","doi":"10.1021/acs.iecr.5c01135","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01135","url":null,"abstract":"As an alternative to using distinct materials with a single function, a multifunctional material, Ni/CaO/Fe₂O₃–MgAl₂O₄, was synthesized to integrate three functions for combined chemical looping processes at the nanoscale, i.e., CO₂ sorption (Ca), redox activity for CO₂ conversion (Fe), and redox activity for heat generation (Ni). Sorption and redox testing of the mixed oxide show that the material holds all 3 functionalities: a CO₂ capture capacity of 1–0.3 mmol_CO2/g, which is retained after sequential redox cycles at 950 °C by both CO₂ and O₂, redox activity for CO₂ reduction into CO, and in situ heat generation upon O₂ oxidation. To assess the structural changes upon treatment, in situ XRD, in situ X-ray absorption spectroscopy (XAS), and in situ X-ray Raman scattering (XRS) were used. The dominant crystalline phases were Mg_0.7Fe_0.23Al_1.97O₄ and Ca₂Fe_2–<i>x</i>Al_<i>x</i>O₅, next to a considerable amorphous fraction of 40%. Under H₂-TPR, Ni and Fe oxides were reduced to form NiFe alloy, and CaCO₃ became CaO. CO₂ reoxidation returned CaO into CaCO₃, while decarbonization realized the opposite. To include the amorphous material in the analysis, in situ XAS was applied for Fe and Ni, while in situ XRS looked into the light elements Ca and O. XAS found Ni fully reduced after H₂ reduction, whereas slight oxidation was observed after CO₂ oxidation. In contrast, Fe was always in a mixed oxidation state, either dominantly metallic after reduction or close to oxidized after reoxidation. The Ca L_2,3-edge XRS spectra showed only minor variation during sequential treatments, reproducible by simulations considering an average contraction of the Ca octahedra. The bulk-averaged O K-edge spectra varied more strongly with each treatment. This was reproduced by linear combination fitting with simulations for the dominant phases, each having a semiempirical screening parameter to reflect the degree of electron transfer between oxygen and its 3d transition metal neighbors. This insight into the interplay between structure and function offers clear design guidelines for next-generation multifunctional looping materials, enabling more efficient integration of the CO₂ capture and conversion processes.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"45 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165607","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}

{"title":"Enhancing the Performance of Vanadium–Phosphorus Oxide Catalysts for n-Butane Oxidation by Tuning the P/V Ratio and Incorporating Y Additives","authors":"Guowei Wang, Chenjie Zhu, Huanling Zhang, Yuanzhen Ren, Jinhong Zhou, Xiaolin Zhu, Chunyi Li, Chaohe Yang","doi":"10.1021/acs.iecr.5c00339","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00339","url":null,"abstract":"Vanadium–phosphorus oxide (VPO) catalysts are extensively utilized in industrial processes for the selective oxidation of <i>n</i>-butane to maleic anhydride. Despite their industrial success, challenges persist in enhancing <i>n</i>-butane conversion while maintaining high selectivity. This study synthesized and characterized two catalyst series to investigate how the P/V ratio and Y additive influence catalyst performance. Specifically, variations in the P/V ratio significantly influence the crystallite size of the catalyst, the specific surface area, the ratio of lattice oxygen to surface oxygen, and the formation of different V⁵⁺ species, with the optimum performance obtained at a P/V ratio of 0.95. The incorporation of Y additives inhibits grain agglomeration and the formation of VOPO₄, and it enhances the reducibility of lattice oxygen, thereby increasing the catalytic activity. By elucidating the roles of the P/V ratio and Y additives, this study offers valuable insights for the rational design of more efficient catalytic systems for <i>n</i>-butane oxidation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"29 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165604","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}

{"title":"A Density Functional Theory Modeling Investigation into the Reaction Mechanisms of Ammonia Reduction of Iron Oxide Represented by the Fe2O3 (001) Surface","authors":"Huanran Wang, Zhezi Zhang, Chiemeka Onyeka Okoye, Xianchun Li, Dongke Zhang","doi":"10.1021/acs.iecr.5c01235","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01235","url":null,"abstract":"The reaction mechanisms of NH₃ reduction of Fe₂O₃, represented by the Fe₂O₃ (001) surface with a low surface hydrogen coverage, have been studied through density functional theory (DFT) simulation. Various reaction mechanisms are first hypothesized, and then the energy barriers of each of the proposed mechanisms are calculated to determine the most probable reaction pathway. The most likely pathway for NH₃ reduction of Fe₂O₃ to form H₂O involves successive abstraction of H atoms from NH₃ adsorbed on the Fe site, which combine with an O in Fe₂O₃ (001) to form hydroxyl groups, while the H atom in remaining NH reacts with the OH to form H₂O. NH₃ dissociation to H₂ involves the H atom from the remaining NH reacting with the H atom abstracted from NH₃ and adsorbed on the O atom adjacent to the Fe site (H_ad) to form H₂. The N atom adsorbed on the Fe site can also react with the O atom adjacent to the Fe site to form NO. On the Fe₂O₃ (001) surface, the NH₃ reduction of Fe₂O₃ directly plays a dominant role in the reduction process due to the lower energy barrier.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"147 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165606","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}

{"title":"Sulfur-Doped Biochar Stabilized Harmful Trace Elements in FGD Sludge to Achieve Cyclic Utilization for Landfill Soil Remediation","authors":"Huawei Han, Qianyu Yang, Yuanbo Lou, Jiawei Wang, Tao Wang, Yongsheng Zhang, Wei-Ping Pan","doi":"10.1021/acs.iecr.5c01158","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01158","url":null,"abstract":"Trace elements in FGD sludge from four power plants were stabilized with H₂S-modified biochar. A TCLP experiment demonstrated that the incorporation of 5% biochar proved to be the most efficacious method for stabilizing trace elements. The migration capacity of harmful elements is mitigated by the mechanisms of physical adsorption and the action of surface R-SO₃H groups. The average effective fractions of Hg, As, Pb, Cd, Cr, Ni, Cu, Zn, and Sb in the FGD sludge from four power plants after stabilization decreased by 28.7, 3.2, 24.8, 11.2, 8.2, 15.3, 16.3, 17.9, and 0.3%, respectively. Hg was decreased from 61.2 μg/kg and 2.3 mg/kg to 6.6 μg/kg and 1.5 mg/kg in soil and corns, respectively. As, Se, Pb, Cd, Cr, Ni, Cu, Zn, and Sb were decreased by 0.3–89.2% and 2.1–41.4% in the soil and corn, respectively. The germination rate of corn in soil remediated with modified biochar rose from 29.2 to 50.0%.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"50 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165470","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}

{"title":"Syngas to Aromatics on Cu–Zn–Zr and HZSM-5: Modulating the Capability of Oxygenated Intermediate Formation to Improve Durene Selectivity","authors":"Shunshun Li, Zihao Wang, Muqian He, Yuanxiang Xu, Xuguang Wang, Dianhua Liu","doi":"10.1021/acs.iecr.5c00977","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00977","url":null,"abstract":"The maximum durene selectivity can be obtained by the cofeeding approach in the syngas to aromatics (STA) process. In this study, the capability of oxygenated intermediate formation was modulated via simple adjustment of Cu, Zn, and Zr molar ratios, maximizing the durene selectivity and CO conversion. The incorporation of the Zr element enhanced the adsorption for CO and the Zn element accelerated the depletion of active hydrogen from zeolites, which suppressed the excessive hydrogenation of intermediates to alkanes. Meanwhile, the synchronization between oxygenated intermediate formation and aromatization was accomplished through optimization of the active sites of zeolites, bifunctional catalyst coupling approaches, and process parameters. Under optimal conditions, a maximum durene space time yield (STY) of 232.0 μmol/gCat/h at a CO conversion of 90.1% was achieved by CuZnZr642/HZSM-5. Furthermore, the deactivation mechanisms of bifunctional catalysts were primarily attributed to the thermal instability of Cu-based catalysts at high temperatures, wherein carbon deposition elimination of spent zeolites was achieved via calcination under an air atmosphere. This study offers experimental support and theoretical insight into optimizing the STA catalytic system.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"58 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165472","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}

{"title":"CO2 Solubility in Aqueous Solution in a Hydrate–Liquid Two-Phase Equilibrium System","authors":"Xiao-Hui Wang, Yi-Wei Wu, Zhen-Bin Xu, Teng-Hua Zhang, Le Zhao, Hong-Shuai Wang, Li-Yong Bao, Chang-Yu Sun, Guang-Jin Chen","doi":"10.1021/acs.iecr.5c00035","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00035","url":null,"abstract":"In marine environments, natural gas hydrates can be surrounded by seawater, forming a hydrate–liquid (H–L_w) two-phase system. This work developed a new experimental method to prepare an H–L_w two-phase equilibrium system and then measured the gas solubility in the corresponding liquid phase. The experimental temperature range is 274.25–282.25 K, and the experimental pressure range is 1.407–7.184 MPa. Ninety-two experimental data points of CO₂ solubility in the H–L_w two-phase equilibrium system are reported in this work. The experimental results indicate that the CO₂ solubility in the liquid phase is almost unaffected by the liquid-phase pressure, while it significantly increases with the increase in system temperature in the H–L_w two-phase equilibrium system. The effect of NaCl concentration on the CO₂ solubility in the H–L_w two-phase equilibrium system is complex and also related to the system temperature.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"45 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165609","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}