Industrial & Engineering Chemistry Research最新文献

{"title":"Enhanced Catalytic Performance for the Ethynylation Reaction of Formaldehyde over a Silica-Coated Metal–Organic Framework HKUST-1-Derived Cu-Based Catalyst","authors":"Chengze Qiu, Chengchao Liu, Han Tao, Haoyu Yan, Yuhua Zhang, Yanxi Zhao, Lifeng Cui, Jinlin Li","doi":"10.1021/acs.iecr.5c03451","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03451","url":null,"abstract":"1,4-Butynediol (BYD), produced by the ethynylation of formaldehyde, is an important organic chemical raw material that can be used to synthesize a variety of organic products. Copper-based catalysts commonly used to synthesize BYD face challenges in terms of activity and stability. In this study, an HKUST/SiO₂-350 catalyst was synthesized using the sol–gel method based on the metal–organic framework material HKUST-1 for the ethynylation reaction of formaldehyde. The HKUST/SiO₂-350 catalyst exhibits a stable porous structure, high surface area, and high copper dispersion, achieving the highest activity and copper utilization efficiency when used in the reaction. At a reaction temperature of 90 °C, the space-time yield of metallic copper for HKUST/SiO₂-350 reaches 0.9744 g_BYD·g_Cu^–1·h^–1, which is nearly 10 times higher than that of HKUST-1. After six cycles of reaction, no apparent deactivation was observed. The excellent performance of HKUST/SiO₂-350 provides a valuable reference for designing catalysts for the ethynylation of formaldehyde.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"72 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261352","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 Novel Strategy To Enhance Methane Combustion Performance and Stability of Flower-Like Al2O3–Supported Pd Catalysts by Modification with Co5Mn1Ox, LaCoO3, or Ce0.6Zr0.4O2","authors":"Wei Fan, Mengwei Hua, Jinxiong Tao, Linke Wu, Peiqi Chu, Zhiquan Hou, Lin Jing, Yuxi Liu, Xuehong Zi, Jiguang Deng, Hongxing Dai","doi":"10.1021/acs.iecr.5c03047","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03047","url":null,"abstract":"The development of CH₄ combustion catalysts with good low-temperature activities and stability still faces a great challenge. In this work, flower-like alumina (NF-Al₂O₃), M/NF-Al₂O₃ (M = Co₅Mn₁O_<i>x</i>, LaCoO₃, and Ce_0.6Zr_0.4O₂ (CZO)), and Pd/M/NF-Al₂O₃ (Pd loading = 2.00, 2.07, and 1.93 wt %) catalysts were fabricated using the hydrothermal, incipient wetness impregnation, and NaBH₄ reduction methods, respectively. The Pd/M/NF-Al₂O₃ catalysts showed good catalytic activity for methane combustion, among which Pd/Co₅Mn₁O_<i>x</i>/NF-Al₂O₃ performed the best: The temperatures (<i>T</i>_50% and <i>T</i>_90%) at CH₄ conversions = 50 and 90% were 285 and 323 °C at a gas hourly space velocity of ca. 20,000 mL/(g h), respectively; the methane reaction rate at 280 °C was 50.1 μmol/(g_Pd s), and the turnover frequency (TOF_Pd) at 280 °C was 0.018 s^–1. In addition, the Pd/Co₅Mn₁O_<i>x</i>/NF-Al₂O₃ sample exhibited good water and sulfur dioxide resistance. The enhanced methane combustion performance of Pd/Co₅Mn₁O_<i>x</i>/NF-Al₂O₃ was mainly attributed to two factors: (i) the unique three-dimensional flower-like layered structure of NF-Al₂O₃ effectively promoted dispersion of the Pd species; and (ii) the introduction of Co₅Mn₁O_<i>x</i> stabilized the active Pd²⁺ species and provided the more reactive oxygen species. Methane combustion over Pd/Co₅Mn₁O_<i>x</i>/NF-Al₂O₃ might take place according to the pathway of gaseous methane → adsorbed methane → formate and carbonate → CO₂ and H₂O. This work provides valuable insight into the modification of the Pd/Al₂O₃ catalyst and a new idea for the design of high-performance methane combustion catalysts in the future.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"51 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261414","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":"Impact of Mo Promoter and In Situ Assembled MOF on Al2O3-Supported Catalysts for the CO2-to-Methanol Reaction","authors":"Ziyuan Li, Mingsheng Luo, Zihan Xu, Lingxin Chen, Yuanyuan Fang, Hao Sun, Minwei Yi, Yutong Liu, Yiduo Huo, Roshni Rahman","doi":"10.1021/acs.iecr.5c01978","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01978","url":null,"abstract":"In this study, in situ assembled MOFs on Al₂O₃-supported catalysts were prepared to compare with the traditional Al₂O₃-supported catalysts promoted with Ga and Mo for CO₂ hydrogenation to methanol reaction. Among supported catalysts, the 5%MoZnCu/Al₂O₃ catalyst exhibited the highest CO₂ conversion and methanol selectivity, while the 2.5%Mo-modified catalyst demonstrated the best performance among MOF-composited catalysts. MOF compositing can enhance the surface area and pore size of the catalyst, yielding increased CO₂ conversion at 230 °C and 3.0 MPa. Meanwhile, Mo modification enhanced the methanol selectivity. Characterization data from XRD, Raman spectroscopy, and BET surface area analysis revealed that the crystal structure, surface morphology, pore structure, and metal valence distribution of the active components were influenced by the metallic promoters. This study provides valuable insights into catalyst development for efficient CO₂ hydrogenation to produce methanol.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"109 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255004","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":"Correlatability of Thermodynamic and Spectroscopic Ideal and Real Behavior: Excess Gibbs Energy vs Raman Spectra","authors":"Miriam Willger, Andreas Siegfried Braeuer","doi":"10.1021/acs.iecr.5c02469","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02469","url":null,"abstract":"We analyze whether Raman spectra of various binary mixtures are related to their thermodynamic properties, specifically the molar excess Gibbs energy <i>g</i>^E and the activity coefficients γ_<i>i</i>. Our analysis focuses on the intensity of excess molar Raman spectra, excess partial molar Raman spectra, and the shifts in peak positions. The results show that the summed absolute intensities of the excess molar Raman spectra and the excess partial molar Raman spectra do not correlate with the excess Gibbs energy <i>g</i>^E or the activity coefficients γ_<i>i</i>. In addition, we find that peak shifts in Raman spectra do not necessarily reflect thermodynamic deviations from ideal behavior. Significant peak shifts can occur even in mixtures that thermodynamically are close to ideal. These results are relevant for the development of predictive models that aim to infer thermodynamic properties from Raman spectra.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"8 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255002","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":"Simultaneous Removal of SOx and NOx Using a High-Gravity Reactor","authors":"Ramesh Chander Mehta, Srikanth Kutla","doi":"10.1021/acs.iecr.5c02843","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02843","url":null,"abstract":"In an era where urbanization and industrialization are on the rise, the consequences of air pollution have become increasingly prevalent and concerning. The air we breathe, once considered to be a limitless resource, is now laden with pollutants that pose significant risks to human health. The main sources of air pollutants include sulfur oxides (SO<i>_x</i>), nitrogen oxides (NO<i>_x</i>), and particulate matter (PM), which are all extremely harmful to the environment and human health and emerge from industrial operations and automobile emissions. Although there are traditional cleanup methods, HiGee technology provides more effective pollutant capture. Flue gases from a coal-based power station were treated in this study using a high-gravity reactor installed with variable porosity packing. Under various operating conditions, such as rotor speed (rpm), caustic dosing rate, and gas–liquid flow rates, a caustic solution functioned as the absorbent medium. High centrifugal forces and better gas–liquid contact allowed for enhanced mass transfer, which was responsible for the results’ near-complete elimination of SO<i>_x</i> and NO<i>_x</i>. Furthermore, substantial PM reduction and selective absorption were achieved, highlighting the potential of HiGee Technology in flue gas treatment.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"18 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261411","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":"Hybrids Y2SiO5:Pr3+, Nd3+/g-C3N4 Efficiently Generated H2O2 in Achieving Conversion from Visible to Ultraviolet Light","authors":"Jiaxian Liang, Dan Luo, Jie Wang, Xiaoyuan Zhou, Hongli Wei, Meng Liu, Changjun Liu, Wei Jiang","doi":"10.1021/acs.iecr.5c03420","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03420","url":null,"abstract":"To enhance the spectral utilization range for synthesizing H₂O₂, up-conversion (UC) materials Y₂SiO₅: Pr³⁺, Nd³⁺ (PNY), and g-C₃N₄ (CN) were successfully combined through a simple thermal treatment method. The evaluation experiment indicates that the optimal ratio of PNY to CN for the composite is 5%. When the catalyst dosage was 1 mg and the ethanol (EtOH) volume was 10 mL, the production rate of H₂O₂ was the highest, reaching 57.18 mmol·g^–1·h^–1. The reaction pathway for synthesizing H₂O₂ is attributed to the oxygen reduction reaction (ORR) rather than the water oxidation reaction (WOR). Under 635 nm wavelength excitation, 5%-PNY/CN composites showed emission peaks at 275, 280, 347, and 492 nm, corresponding to 4f5d→³H_4,5,6, 4f5d→³F_2,3, 4f5d→³F_3,4, and ³P₀→³H₄ transitions of activator Pr³⁺, respectively. This confirms the successful conversion of visible (vis)–ultraviolet (UV) light, and the up-conversion quantum yield (UCQY) of 5%-PNY/CN reaches 3.07%. Correspondingly, the production of H₂O₂ under vis light reached the level of UV light, indicating that the conversion from vis to UV light is effective in increasing the production of H₂O₂. Finally, a possible photocatalytic cooperative UC photoreaction mechanism was proposed. This presents a novel strategy for the design of innovative photocatalysts.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"43 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255562","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":"Highly Selective Molecular-Sieving Membranes by Interfacial Polymerization for H2 Purification","authors":"Chenhao Yao, Rebecca Lee, Amal Rajan Sheena, Subhadeep Dasgupta, Harekrushna Behera, Prabal K. Maiti, Benny D. Freeman, Manish Kumar","doi":"10.1021/acs.iecr.5c02797","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02797","url":null,"abstract":"Hydrogen purification is challenging due to the high energy consumption of current state-of-the-art pressure swing adsorption and cryogenic partial-condensation processes. Membrane separations have the potential to substantially reduce the energy and operational costs of this process. In this study, molecular-sieving polyamide TFC membranes with outstanding H₂ selectivities were fabricated via a simple interfacial polymerization process with a variety of different monomers. These membranes showed a greatly improved degree of cross-linking and exhibited pure-gas H₂/N₂ and H₂/CO₂ selectivities of up to 507 and 80, with a H₂ permeability/permeance of 26 Barrer/10 GPU at 35 °C, demonstrating significantly higher selectivity than most polymeric membranes. The high gas permeabilities observed are explained theoretically by using extensive all-atom molecular dynamics simulations, followed by grand canonical Monte Carlo and trajectory extending kinetic Monte Carlo simulations. The simple and inexpensive membrane fabrication process and its outstanding selectivity performance show progress of these membranes toward large-scale and cost-effective hydrogen purification.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"86 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241593","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":"Effect of Atmosphere-Controlled Pressurized Steaming on the Structure and Cracking Performance of As-Prepared LaY Zeolite","authors":"Chengqiang Wang, Enhui Xing, Yibin Luo, Ying Ouyang, Xingtian Shu, Xiuzhi Gao","doi":"10.1021/acs.iecr.5c03606","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03606","url":null,"abstract":"This study focuses on exploring the impact of atmosphere-controlled pressurized steaming (at 500 °C and 0.3 MPa) on the structure and catalytic performance of LaY zeolite. A weakly alkaline calcination atmosphere (pH 9.6) is introduced during the pressurized steaming process. This introduction significantly promotes the solid-state migration of La³⁺ ions from supercages to sodalite cages, resulting in an 18% increase in the <i>I</i>₁/<i>I</i>₂ ratio. It also enhances the B/L acid ratio by 45% and improves the hydrothermal stability of the zeolite with the crystallinity retention rate rising by 25%. The proposed process achieves a balanced dealumination-desilication mechanism. While maintaining the crystallinity of the zeolite, it generates uniform 3–4 nm intracrystalline mesopores. The mesopore volume accounts for an increasing proportion of the total pore volume, from 5% to 16%. Catalytic evaluation results show that, compared with the atmospheric calcination reference sample, the heavy oil conversion rate increases by 8.8% points, the gasoline yield rises by 8.0% points, and the coke yield is lower. This can be attributed to the mesopores improving the accessibility of reactants and reducing diffusion resistance. This research demonstrates that the atmosphere-controlled pressurized steaming under a weakly alkaline calcination atmosphere is an effective strategy for preparing LaY zeolite with high stability and high activity, which is suitable for heavy oil cracking.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"25 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247586","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":"Determination of Water Content For Hydrate Formation in Gas-Dominant Systems Using a Multiphase Flash Algorithm","authors":"Marvin Martins dos Santos, Iuri Soter Viana Segtovich, Ingrid Azevedo de Oliveira, Frederico Wanderley Tavares, Adriana Teixeira, Leandro Saraiva Valim, Antonin Chapoy","doi":"10.1021/acs.iecr.5c02578","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02578","url":null,"abstract":"Accurate prediction of hydrate formation and dissociation in natural gas systems is essential for multiphase flow applications and carbon capture and storage technologies. This work presents a modified simultaneous flash-with-stability formulation to calculate the gas-phase water content under incipient hydrate conditions. Given <i>P</i>, <i>T</i>, and the dry-gas composition, we determine the water content while enforcing β_<i>H</i> = 0. Hydrates are modeled with the van der Waals–Platteeuw framework, while the fluid phase is described using PC-SAFT and Modified Peng–Robinson equations of state. The methodology was validated against literature data and new measurements for systems containing CH₄, CO₂, and C₂H₆. Results indicate that PC-SAFT provides superior accuracy, particularly in low-moisture regimes. <i>P–T</i> and <i>P–y</i>_<i>w</i> maps quantify the effects of composition and humidity. By determining the water content at incipient hydrate within a stability-checked flash, our method reduces numerical issues near phase boundaries and provides a practical tool for risk analysis and offshore system design.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"9 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247531","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":"Correction to “Ugropy: An Extensible Python Package for Thermodynamic Model Functional Group Identification via Mathematical Optimization”","authors":"Salvador E. Brandolín, Federico E. Benelli, Ivana Magario, José A. Scilipoti","doi":"10.1021/acs.iecr.5c03949","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03949","url":null,"abstract":"In our recently published article, we compared different group-contribution fragmentation algorithms. After publication, Dr. Müller contacted us to point out that his algorithm performs significantly better when applied as originally recommended in his paper. Here it is described that sorting the groups prior to fragmentation is necessary for the algorithm to work properly. We are grateful for this clarification and provide below the corrected comparison. If this is taken into account giving the sorted groups (Table 5: Müller (sorted)) as input, the algorithm successfully finds the optimal solutions in all cases with execution times significantly lower than the other two packages. For this use case it must be specified on which specific order the fragments must be searched within the molecule to fragment. On the one hand, this is additional information that is required to understand the correct sorting criteria of each specific fragmentation model, which could be a barrier for new users or developers of new models. On the other hand, it allows for model developers to specify much more precisely which groups are to be prioritized before others. Under this new perspective, the results of the comparison of the three algorithms are summarized in Table 1. The results show that the Müller algorithm with sorted groups substantially improves its performance. When the groups are not sorted, the algorithm fails to find the optimal solution in the majority of the cases and the fragmentation times are slower than if the algorithm is applied as originally intended based on group priorities. Nonoptimal solution. The specific sorting criteria recommended by Müller for the UNIFAC model is the following:<img alt=\"\" src=\"/cms/10.1021/acs.iecr.5c03949/asset/images/medium/ie5c03949_0002.gif\"/> This article has not yet been cited by other publications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"1 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241598","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}