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Influence of hierarchical ZSM-5 catalysts with various acidity on the dehydration of glycerol to acrolein

Magnetic Resonance Letters 2021年第1期1卷 71-80页

作者： Shufang Zhao Songlin He Kyung Du Kim Lizhuo Wang Ryong Ryoo Zichun Wang Jun Huang Laboratory for Catalysis Engineering School of Chemical and Biomolecular EngineeringSydney Nano InstituteThe University of SydneyNSW2006Australia Center for Nanomaterials and Chemical Reactions Institute for Basic Science(IBS)Daejeon305-701South Korea Department of Chemistry Korea Advanced Institute of Science and TechnologyDaejeon34141South Korea Department of Engineering Macquarie UniversitySydneyNew South Wales2109Australia

The main challenge in the dehydration of glycerol to acrolein lies in overcoming catalystdeactivation and improving the selectivity to acrolein. The relationship between theacidity in the mesoporous channels and catalytic performance of glycerol dehydration israrely reported. In this work, to investigate the influence of acidity in the mesoporouschannels of hierarchical ZSM-5 catalysts on the dehydration of glycerol to acrolein, a seriesof hierarchical ZSM-5 zeolites with comparable mesoporous volume and mesoporous sizebut different acid properties in mesopores have been successfully prepared via alkalinetreatment. The sample with the abundant mesoporosity and highest acidity display thebest performance.

关键词： Zeolites Hierarchical pores Acidity Glycerol dehydration NMR

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An Insight on the Crystallizer and Experimental Setup for the Room Temperature Sii Hydrate Formation Using Response Surface Methodology

SSRN

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SSRN 2024年

作者： Jeenmuang, Kan Veluswamy, Hari Prakash Chalermsinsuwan, Benjapon Linga, Praveen Pornaroontham, Phuwadej Rangsunvigit, Pramoch The Petroleum and Petrochemical College Chulalongkorn University Bangkok10330 Thailand Department of Chemical Engineering Indian Institute of Technology Roorkee Roorkee247667 India Department of Chemical Technology Faculty of Science Chulalongkorn University Bangkok10330 Thailand Department of Chemical and Biomolecular Engineering National University of Singapore Singapore117575 Singapore

Gas hydrate formation is a complex process influenced by various factors, including the gas–liquid interfacial area, solution volume, and gas surplus, leading to diverse outcomes in hydrate formation capacity and kinetics, as documented in numerous literature sources. This study utilizes a sequential experimental design for response surface optimization to investigate key factors and their interactions affecting a formation system of mixed methane–THF hydrate at 298.2 K and 9.2 MPa. The experimental setup involves the use of 0.03 wt% L–Tryptophan (L–Trp) as a kinetic promoter in an adjustable–length horizontal tubular batch crystallizer. Four crucial responses were analyzed: water to hydrate conversion, gas uptake, normalized rate of hydrate formation (NR30), and time to achieve 90% of overall gas uptake (t90), with the aim of informing system design and scaling. Notably, the solution to crystallizer volume ratio (VS/VR) significantly influenced all four responses, alongside the volume of supplementary gas reservoir (Vres) and crystallizer length, impacting gas uptake and hydrate formation kinetics. The optimization process sought to achieve a balanced compromise among influencing factors and desirable responses, resulting in an optimized setup with a VS/VR ratio of 0.54, leading to high hydrate formation capacity within three hours. Model validation affirmed the reliability of the findings with small percentage errors, providing a robust foundation for system design, upscaling, and applications in methane hydrate–based energy storage technology. © 2024, The Authors. All rights reserved.

关键词： Hydration

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Carbon footprinting of carbon capture and -utilization technologies: discussion of the analysis of Carbon XPRIZE competition team finalists

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Clean Energy 2021年第4期5卷 587-599页

作者： Sylvia Sleep Raghav Munjal Michael Leitch Marcius Extavour Adriana Gaona Shah Ahmad Emily Nishikawa Vaidehi Pitre Peter Psarras Andrea Ramirez Heather L.MacLean Joule A.Bergerson Department of Chemical and Petroleum Engineering University of CalgaryCalgaryABCanada XPRIZE Foundation Culver CityCAUSA Department of Civil&Mineral Engineering University of TorontoTorontoONCanada Department of Agricultural Food&Nutritional ScienceUniversity of AlbertaEdmontonABCanada Department of Chemical and Biomolecular Engineering University of PennsylvaniaPhiladelphiaPAUSA Department of Engineering Systems and Services Delft University of TechnologyDelftCNThe Netherlands

Life cycle assessments(LCAs)of early-stage technologies can provide valuable insights about key drivers of emissions and aid in prioritizing research into further emissions-reduction *** this potential value,further development of LCA methods is required to handle the increased uncertainty,data gaps,and confidentially of early-stage *** study presents a discussion of the life cycle carbon footprinting of technologies competing in the final round of the NRG COSIA Carbon XPRIZE competition-a US$20 million competition for teams to demonstrate the conversion of CO_(2) into valuable products at the scale of a small industrial pilot using consistent deployment conditions,boundaries,and methodological *** competition allowed the exploration of how LCA can be used and further improved when assessing disparate and early-stage *** intensity estimates are presented for two conversion pathways:(i)CO_(2) mineralization and(ii)catalytic conversion(including thermochemical,electrochemical,photocatalytic and hybrid process)of CO_(2),aggregated across teams to highlight the range of emissions intensities demonstrated at the pilot for individual life cycle stages.A future scenario is also presented,demonstrating the incremental technology and deployment conditions that would enable a team to become carbon-avoiding relative to an incumbent process(*** emissions relative to a reference pathway producing a comparable product).By considering the assessment process across a diverse set of teams,conversion pathways and products,the study presents generalized insights about opportunities and challenges facing carbon capture and-utilization technologies in their next phases of deployment from a life cycle perspective.

关键词： CCUS life cycle assessment carbon footprinting carbon capture and utilization

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Recent advances in catalytic conversion of carbon dioxide to propiolic acids over coinage-metal-based catalysts

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Journal of Energy Chemistry 2021年第8期30卷 572-580,I0012页

作者： Tianyu Zhang Jiawei Zhong Zhilian Wu Department of Chemistry Joint Institute for Advanced MaterialsUniversity of Tennessee37996 KnoxvilleUnited States Department of Chemical and Biomolecular Engineering National University of Singapore4 Engineering Drive117585 SingaporeSingapore Ningbo Fengcheng Advanced Energy Materials Research Institute Co. Ltd.Ningbo 315500China College of Materials Science and Engineering Shenzhen UniversityShenzhen 518055China

The conversion of inexpensive,available C1 feedstock of carbon dioxide(CO_(2))into value-added fine chemicals via homogeneous or heterogeneous catalysis has attracted great recent ***-based(Cu,Ag,and Au)catalysis has emerged as a synthetic strategy for a wide range of organic chemical reactions in past *** coinage-metal-catalyzed carboxylation,CO_(2)is adopted as a carboxylation reagent,while coinage-metal salts,complexes,and nanoparticles(NPs)serve as a Lewis acid catalyst to activate unsaturated chemicals,particularly *** mini-review focuses on the recent advances of coinage-metal-catalyzed carboxylation of terminal alkynes with CO_(2).Other respects,such as the role of bases,the influence of trace water,and solvent effects are also highlighted.

关键词： Carbon dioxide Terminal alkynes Propiolic acids Catalysis

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Facile Synthesized Nitrogen-Doped Carbon Nanospheres as Model Supports for Oxygen Reduction Reaction Catalysts

SSRN

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SSRN 2023年

作者： Atanassov, Plamen Wang, Hanson Ly, Alvin Murphy, Eamonn Guo, Shengyuan Huang, Ying Zenyuk, Iryna V. Department of Chemical and Biomolecular Engineering National Fuel Cell Research Center University of California Irvine United States Department of Materials Science and Engineering University of California Irvine United States

The interface and interactions between electrocatalyst particles and their supports are crucial towards understanding supports for next-generation oxygen reduction reaction catalysts. As implementation of these materials in polymer electrolyte membrane fuel (PEMFC) focuses more on medium- and heavy-duty applications, the issue of durability comes to the forefront. Dispersion of platinum nanoparticles on graphitic, carbon corrosion-resistant carbon supports is a known issue that affects aging and durability of these catalysts. Here, a series of model carbon nanosphere doped with nitrogen heteroatoms is synthesized through a facile one-pot method and decorated with monodisperse platinum nanoparticles to investigate the effects of the support morphology and surface chemistry on electrocatalyst dispersion. The results agree with previously published works regarding the role of pyridinic-N moieties promoting metallic dispersion. Indeed, through TEM characterization it is clear to see that an ideal Pt nanoparticle dispersion is achieved on the nanosphere support containing the highest percentage of pyridinic-N moieties. While the electrochemical performances of these Pt-decorated catalysts are similar in a liquid electrolyte, drastic differences are expected due to the difference in average particle size and electrochemically accessible surface area once tested in a solid electrolyte environment. The insights gleaned from this model catalyst support can be applied on more complex, heteroatom-doped supports to ensure highly active and durable PEMFC catalysts. © 2023, The Authors. All rights reserved.

关键词： Proton exchange membrane fuel cells (PEMFC)

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Weakly coordinating cationic polymer electrolytes for fast-charging solid-state lithium-metal batteries

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Journal of Energy Chemistry 2025年第6期 243-251页

作者： Soohyoung Lee Kyeong-Seok Oh Ji Eun Lee Sun-Phil Han Hong-I Kim Sang Kyu Kwak Sang-Young Lee Department of Battery Conflation Engineering Yonsei University Department of Chemical and Biomolecular Engineering Yonsei University School of Energy and Chemical Engineering Ulsan National Institute of Science and Technology (UNIST) UNIST Central Research Facilities Ulsan National Institute of Science and Technology (UNIST) Department of Chemical and Biological Engineering Korea University

Despite the growing interest in fast-cha rging solid-state lithium（Li）-metal batteries（SSLMBs）,their practical implementation has yet to be achieved,primarily due to an incomplete understanding of the disparate and often conflicting requirements of the bulk electrolyte and the electrode-electrolyte ***,we present a weakly coordinating cationic polymer electrolyte（WCPE） specifically designed to regulate the Li+coordination structure,thereby enabling fast-charging *** WCPE comprises an imidazolium-based polycationic matrix combined with a succinonitrile（SN）-based highconcentration *** conventional neutral polymer matrices,the polycationic matrix in the WCPE competes with Li+for interactions with SN,weakening the original coordination between SN and Li+.This modulation of SN-Li+interaction improves both Li+conductivity of the WCPE(σLi+=1.29mS cm-1) and redox kinetics at the electrode-electrolyte ***,SSLMB cells（comprising LiFePO4cathodes and Li-metal anodes） with the WCPE achieve fast-charging capability（reaching over80% state of charge within 10 min）,outperforming those of previously reported polymer electrolytebased SSLMBs.

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Synergistic effect of chloride ion and Shewanella algae accelerates the corrosion of Ti-6Al-4V alloy

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Journal of Materials science & Technology 2021年第12期71卷 177-185页

作者： Zhong Li Jie Wang Yizhe Dong Dake Xu Xianhui Zhang Jianhua Wu Tingyue Gu Fuhui Wang Shenyang National Laboratory for Materials Science Northeastern UniversityShenyang 110819China Fujian Province Key Laboratory of Naval Architecture and Marine Engineering Xiamen 361021China Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education) School of Materials Science and EngineeringNortheastern UniversityShenyang 110819China School of Marine Engineering Jimei UniversityXiamen 361021China Department of Chemical and Biomolecular Engineering Institute for Corrosion and Multiphase TechnologyOhio UniversityAthensOH 45701USA

The increasing utilization of titanium alloys in marine environments makes their microbiologically influenced corrosion study a timely *** work demonstrated that the corrosion ofTi-6 Al-4 V alloy was accelerated by a marine bacterium Shewanella algae in 2216 E medium with different *** electrochemical,pitting morphology and passive film analyses demonstrated that *** weakened the passive film,which made Cl-more *** synergy of those two factors caused considerable corrosion acceleration of the titanium alloy,leading to a maximum pit depth of 3.2μm and corrosion current density of 26.5 nA cm_(-2) in 2216 E medium with 3.50%(w/w)Cl^(-).

关键词： Titanium alloy Microbiologically influenced corrosion Chloride ions Biofilm Passive film

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Two-dimensional multiferroic NbPc covalent organic framework with strong magnetoelectric coupling and room-temperature ferroelectricity

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Physical Review B 2025年第3期111卷 035439-035439页

作者： Wei Li Dongyang Zhu Shuai Dong Jun-Jie Zhang Key Laboratory of Quantum Materials and Devices of Ministry of Education School of Physics Southeast University Nanjing 211189 China Department of Chemical and Biomolecular Engineering Rice University Houston Texas 77005 USA Department of Materials Science and NanoEngineering Rice University Houston Texas 77005 USA

The realization of two-dimensional multiferroics offers significant potential for nanoscale device functionality. However, type-I two-dimensional multiferroics with strong magnetoelectric coupling, enabling electric field control of spin, remain scarce. In this study, using density functional theory and Monte Carlo simulations, we predict that the niobium phthalocyanine covalent organic framework (NbPc COF) monolayer exhibits type-I multiferroic behavior, with a ferroelectric transition occurring above room temperature. Remarkably, the strong magnetoelectric coupling in NbPc COF monolayer arises from the same origin of magnetism and ferroelectricity. Our findings offer flexible pathways for the design and development of organic nanoscale multiferroic devices with broad applications.

关键词： Ferroelectricity

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Hierarchically microporous membranes for highly energy-efficient gas separations

Industrial Chemistry & Materials

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Industrial Chemistry & Materials 2023年第3期1卷 376-387页

作者： Shuangjiang Luo Tianliang Han Can Wang Ying Sun Hongjun Zhang Ruilan Guo Suojiang Zhang CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex SystemsBeijing Key Laboratory of Ionic Liquids Clean ProcessInstitute of Process EngineeringChinese Academy of Sciences(CAS)Beijing 100190China State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China Department of Chemical and Biomolecular Engineering University of Notre DameNotre DameIN 46556USA Longzihu New Energy Laboratory Zhengzhou 450000China Henan University Jinming RoadKaifeng475004China

The implementation of synthetic polymer membranes in gas separations,ranging from natural gas sweetening,hydrogen separation,helium recovery,carbon capture,oxygen/nitrogen enrichment,etc.,has stimulated the vigorous development of high-performance membrane ***,size-sieving types of synthetic polymer membranes are frequently subject to a trade-off between permeability and selectivity,primarily due to the lack of ability to boost fractional free volume while simultaneously controlling the micropore size ***,we review recent research progress on microporosity manipulation in high-free-volume polymeric gas separation membranes and their gas separation performance,with an emphasis on membranes with hourglass-shaped or bimodally distributed ***-of-the-art strategies to construct tailorable and hierarchically microporous structures,microporosity characterization,and microcavity architecture that govern gas separation performance are systematically summarized.

关键词： Gas separation membranes Hierarchical microporosity Micropore size distribution Configurational free volume Solution-diffusion mechanism

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GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices

arXiv

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arXiv 2024年

作者： Nguyen, Thao Torres-Flores, Tiara Hwang, Changhyun Edwards, Carl Diao, Ying Ji, Heng Siebel School of Computing and Data Science University of Illinois Urbana-Champaign United States Department of Chemical & Biomolecular Engineering University of Illinois Urbana-Champaign United States

This paper presents a novel approach for predicting Power Conversion Efficiency (PCE) of Organic Photovoltaic (OPV) devices, called GLaD: synergizing molecular Graphs and Language Descriptors for enhanced PCE prediction. Due to the lack of high-quality experimental data, we collect a dataset consisting of 500 pairs of OPV donor and acceptor molecules along with their corresponding PCE values, which we utilize as the training data for our predictive model. In this low-data regime, GLaD leverages properties learned from large language models (LLMs) pretrained on extensive scientific literature to enrich molecular structural representations, allowing for a multimodal representation of molecules. GLaD achieves precise predictions of PCE, thereby facilitating the synthesis of new OPV molecules with improved efficiency. Furthermore, GLaD showcases versatility, as it applies to a range of molecular property prediction tasks (BBBP, BACE, ClinTox and SIDER (Wu et al., 2018)), not limited to those concerning OPV materials. Especially, GLaD proves valuable for tasks in low-data regimes within the chemical space, as it enriches molecular representations by incorporating molecular property descriptions learned from large-scale pretraining. This capability is significant in real-world scientific endeavors like drug and material discovery, where access to comprehensive data is crucial for informed decision-making and efficient exploration of the chemical space. © 2024, CC BY.

关键词： Molecules

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