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Molecular insights into oil detachment from hydrophobic quartz surfaces in clay-hosted nanopores during steam-surfactant co-injection

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Petroleum Science 2024年第4期21卷 2457-2468页

作者： Ben-Jie-Ming Liu Xuan-Tong Lei Mohammadali Ahmadi Zhangxin Chen department of chemical and Petroleum engineering University of Calgary Eastern Institute of technology

Thermal recovery techniques for producing oil sands have substantial environmental impacts. Surfactants can efficiently improve thermal bitumen recovery and reduce the required amount of steam. Such a technique requires solid knowledge about the interaction mechanism between surfactants, bitumen,water, and rock at the nanoscale level. In particular, oil sands ores have extremely complex mineralogy as they contain many clay minerals(montmorillonite, illite, kaolinite). In this study, molecular dynamics simulation is carried out to elucidate the unclear mechanisms of clay minerals contributing to the bitumen recovery under a steam-anionic surfactant co-injection process. We found that the clay content significantly influenced an oil detachment process from hydrophobic quartz surfaces. Results reveal that the presence of montmorillonite, illite, and the siloxane surface of kaolinite in nanopores can enhance the oil detachment process from the hydrophobic surfaces because surfactant molecules have a stronger tendency to interact with bitumen and quartz. Conversely, the gibbsite surfaces of kaolinite curb the oil detachment process. Through interaction energy analysis, the siloxane surfaces of kaolinite result in the most straightforward oil detachment process. In addition, we found that the clay type presented in nanopores affected the wettability of the quartz surfaces. The quartz surfaces associated with the gibbsite surfaces of kaolinite show the strongest hydrophilicity. By comparing previous experimental findings with the results of molecular dynamics(MD) simulations, we observed consistent wetting characteristics. This alignment serves to validate the reliability of the simulation outcomes. The outcome of this paper makes up for the lack of knowledge of a surfactant-assisted bitumen recovery process and provides insights for further in-situ bitumen production engineering designs.

关键词： Clay minerals Bitumen Contact angle Interaction energy Surfactant Molecular dynamics

Novel self-assembled porous yolk-shell NiO nanospheres with excellent electrochromic performance for smart windows

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Particuology 2024年第1期84卷 72-80页

作者： Baoshun Wang Ya Huang Siming Zhao Run Li Di Gao Hairong Jiang Rufan Zhang Beijing Key Laboratory of Green chemical Reaction engineering and technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

With the rapid development of optoelectronics,electrochromic(EC)materials(ECMs)with the advan-tages of low power consumption,easy viewing,high contrast ratio,etc have attached more and more attention from the fields of smart windows,electronic billboards,emerging wearable and portable electronics,and other next-generation *** oxide(NiO)is a promising candidate for high-performance ECMs because of its neutral-colored states and low ***,NiO-based ECMs still face the problem of slow switching speed due to their low electrical conductivity and small lattice ***-organic frameworks(MOFs)are promising candidates to fabricate hollow and porous transition metal oxides(TMOs)with high ion transport efficiency,excellent specific capacitance,and electrochemical *** this work,porous yolk-shell NiO nanospheres(PYS-NiO NSs)were syn-thesized via a solvothermal and subsequent calcination process of Ni-MOF,which exhibited outstanding EC *** the large specific surface areas and hollow porous nanostructures were conducive to ionic transport,PYS-NiO NSs exhibited a fast coloring/bleaching speed(3.6/3.9 s per one coloring/bleaching cycle)and excellent cycling stability(82%of capacity retention after 3000 cycles).These superior EC properties indicated that the PYS-NiO NSs was a promising candidate for high-performance EC *** work provides a new and feasible strategy for the efficient preparation of TMOs ECMs with good EC performance,especially fast switching speed.

关键词： Electrochromic Nickel oxide Metal-organic frameworks Hollow structure Smart windows

Research progress on simulation of multiscale mass transfer processes in gas-solid system by computational mass transfer

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Particuology 2024年第7期90卷 478-492页

作者： Xu Li Yaohui Wang Leifu Li Runye Zhang Hailun Ren Wenbin Li Zhongli Tang Donghui Zhang The Research Center of chemical engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China The department of chemical engineering Tianjin Renai CollegeTianjin 301636China Collaborative Innovation Center of chemical Science and engineering(Tianjin) School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

Particle-fluid system is one of the most popular systems in chemical *** to complex interface structure and high-velocity turbulence,the momentum and mass transfer exhibit nonlinear characteristics,which pose a great challenge for further study and *** solve this problem,computational mass transfer(CMT)emerged and has been proved to be effective in deeply exploring the mass transfer behavior of particle-fluid ***,this paper reviews recent gas-solid numerical studies of turbulence issues from empirical to theoretical,then discusses interphase mass transfer rate models and the interfacial interaction ***,the present study particularly reviews researches on mass transfer process of fixed and fluidized regime by CMT,providing reliable analysis of turbulent anisotropy diffusivity as well as multiscale structure and presenting theoretical instruction for the industrial optimization of mass transfer processes in chemical engineering.

关键词： Fixed bed Fluidized bed Computational mass transfer Turbulent mass diffusion Multiscale Anisotropy

Multifunctional applications of gadolinium-doped cerium oxide(Ce1-xGdxO2-?) ceramics:A review

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Journal of Rare Earths 2024年第10期42卷 1817-1834页

作者： Subhadip Das Rakesh Bhaskar Kannan Badri Narayanan department of Ceramic engineering National Institute of Technology Rourkela School of chemical engineering Yeungnam University

Cerium oxide（CeO2）,or ceria,and its doped derivatives have been extensively studied for several decades and are well-known oxides valued for their unique structural properties and wide range of *** materials play a crucial role in sustainable development within *** modification through de fect e ngineering of the highly stable cubic fluorite phase enhances the versatility of this doped ceria to a new *** the numerous dopants of the CeO2matrix,ceria doped with gadolinium（Gd）,known as Ce1-xGdxO2-?（CGO）,is gaining popularity due to its *** introduction of defect-induced vacancies in the oxygen sublattice（V_o） and a change in the average valence of cerium(Ce3+/Ce4+) are primarily responsible for the improved performance compared to pristine *** materials are currently undergoing intensive research for potential use as electrolytes in intermediate-temperature solid oxide fuel cells（IT-SOFCs） and dense oxygen-permeable membranes（OPMs）.Additionally,they are being commercially utilized for power generation and oxygen *** materials are also attracting significant attention in various fields such as optics,photocatalysis,electrostriction,spintronics,gas sensing,electrocatalysis,and biomedical *** review paper aims to compile the latest contributions to CGO materials and comprehensively cover their various application *** crystal structure,defect equilibrium in Gd3+-doped CeO2,the origin of multifunctionality,and the prospects of these materials are also exclusively discussed.

关键词： Biomedicine Gadolinium-doped CeO2 Gas sensors Photo/electrocatalysts Rare earths Spintronics

Heterogeneous crystallization of Chlorzoxazone for modulating the physicochemical properties of crystals Author links open overlay panel

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Particuology 2024年第8期91卷 249-259页

作者： Dhayananth Natarajan Kalaichelvi Ponnusamy Radhakrishnan Thota Karunakaran department of chemical engineering National Institute of TechnologyTiruchirappalli620015TamilnaduIndia

The polymer on modulating the crystal's habit is an evolving research in pharmaceutical *** study demonstrates the crystal habit modification of chlorzoxazone(CHZ)by heterogeneous crystallization(HC)in the binary solvent acetonitrile-ethanol(A-E(1:1))in the presence of polyvinylpyrrolidine(PVP)at concentrations of 0.50,0.75,and 1.00 wt%.The A-E(1:1)and PVP in HC experiments influenced to change the shape of crystals from needle to plate shape and reduced the crystal size producing a lower aspect ratio(in the range of 1.5-2.3).In the presence of PVP,the CHZ size distribution is 65-78μm which tends to enhance the powder flow-ability of CHZ crystals and as the PVP concentration increases,the nucleation rate *** solubility of size-reduced CHZ crystals at different pH is found to be improved by 1.2-1.4 ***,HC is deemed effective in modifying the physicochemical attributes of CHZ.

关键词： Chlorzoxazone Polyvinylpyrrolidine Heterogeneous crystallization Crystal habit modification Aspect ratio

Integrated CO_(2)capture and reduction catalysis:Role ofγ-Al_(2)O_(3)support,unique state of potassium and synergy with copper

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Journal of Environmental Sciences 2024年第6期140卷 113-122页

作者： Donato Pinto Stefano Minorello Zhouping Zhou Atsushi Urakawa Catalysis engineering Department of Chemical EngineeringDelft University of TechnologyDelft2629HZNetherlands

Carbon dioxide capture and reduction(CCR)process emerges as an efficient catalytic strategy for CO_(2)capture and conversion to valuable chemicals.K-promoted Cu/Al_(2)O_(3)catalysts exhibited promising CO_(2)capture efficiency and highly selective conversion to syngas(CO+H_(2)).The dynamic nature of the Cu-K system at reaction conditions complicates the identification of the catalytically active phase and surface *** present work aims at more precise understanding of the roles of the potassium and copper and the contribution of the metal oxide ***γ-Al_(2)O_(3)guarantees high dispersion and destabilisation of the potassium phase,potassium and copper act synergistically to remove CO_(2)from diluted streams and promote fast regeneration of the active phase for CO_(2)capture releasing CO while passing H_(2).A temperature of 350℃is found necessary to activate H_(2)dissociation and generate the active sites for CO_(2)*** effects of synthesis parameters on the CCR activity are also described by combination of ex-situ characterisation of the materials and catalytic testing.

关键词： Carbon dioxide Carbon capture and utilisation CO_(2)capture and reduction Solid CO_(2)sorbents Heterogeneous catalysis Potassium Copper catalysts Aluminium oxide

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Multiperiod optimization of cooling water system with flexible topology network

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Green chemical engineering 2024年第4期5卷 461-472页

作者： Bo Liu Ruimei Zhang Ye Liu Yufei Wang Ali Almansoori Xiao Feng School of chemical engineering and Environment China University of Petroleum department of chemical engineering Khalifa University of Science and Technology CHN Energy Xinjiang chemical Co.LTD School of chemical engineering & technology Xi'an Jiaotong University

Cooling water systems(CWSs) are extensively utilized in various industries to eliminate the excess heat and converse energy. Studies on CWSs mainly concentrated on finding the optimal cooler network structure. In addition, some works also considered the optimal design under varied operation conditions. However, in these works, once the optimal design of the cooler's network is determined, its arrangement remains fixed and cannot be adapted to accommodate diverse operating conditions. In this work, a flexible topology network concept is proposed to make the adjustment of network structure possible under different operation conditions. The CWS with integrated air cooler and flexible topology network has better overall performance, represented by a mixed integer nonlinear programming(MINLP) model that require advanced tools such as GAMS software. Case studies revealed that the proposed methodology can realize better energy-saving performance, and improve the economic performance under varied operation conditions. The impact of critical flexible nodes on system configuration and economy is achieved by sensitivity analysis.

关键词： Cooling water systems Flexible network Multiperiod optimization Air cooler

Progress and prospects of chiral nanomaterials for biosensing platforms

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Rare Metals 2024年第6期43卷 2469-2497页

作者： Yu-Cheng Ouyang Bong-Jun Yeom Yuan Zhao Wei Ma School of food Science and technology State Key Laboratory of Food Science and ResourcesJiangnan UniversityWuxi 214122China Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnanUniversityWuxi214122China department of chemical engineering Hanyang UniversitySeoul04763RepublicofKorea

Chiral nanomaterials have distinct chiroptical properties of preferential interactions to circularly polarized ***-based biosensors have emerged for detection of biomolecules,ions and cells in recent *** review provides an extensive overview of biosensors based on chiral nanomaterials,starting with approaches to chiral nanomaterials construction in terms of fabrication *** of chiral nanomaterials and their biosensor applications is presented for different material types,with special emphasis on the role and importance of material properties and signal generation in *** assessed the technological prospects of the emerging fields of chiral construction,circularly polarized luminescence,Raman optical activity and so on along with their current *** venues for future research on chiral nanomaterials in fabrication,biosensing,disease diagnosis and treatment are also presented in the review.

关键词： Chiral nanomaterials Circular dichroism Biosensors

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Sustainable pathways to ammonia:a comprehensive review of green production approaches

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Clean Energy 2024年第2期8卷 60-72页

作者： Hafiz Sharjeel Ahmed Zaid Yahya Waqar Ali khan Ali Faraz University of engineering and technology(UET) LahorePakistan chemical engineering department NFC Institute of Engineering and Fertilizer ResearchFaislabadPakistan chemical engineering department Punjab UniversityLahorePakistan

Ammonia production is vital in global industries but faces increasing environmental concerns,necessitating a shift towards sustainable *** review comprehensively explores diverse hydrogen production approaches and their potential impact on sustainable ammonia *** primary focus is investigating hydrogen production methods that enhance both efficiency and sustainability in ammonia synthesis,which is crucial for reducing its environmental ***,the review highlights the pivotal role of catalysts in improving Faradaic efficiency in ammonia synthesis,emphasizing their significance in overall process *** study identifies innovative technologies that have the potential to revolutionize ammonia production while aligning with global sustainability *** a thorough examination of hydrogen production methods and catalytic advances,this review provides valuable insight into greener and more efficient ammonia production *** conclusion,it emphasizes the importance of exploring hydrogen production methods and leveraging catalysts to improve ammonia production sustainability and *** addresses a critical research gap and paves the way for an environmentally responsible and globally aligned ammonia production industry.

关键词： ammonia production green alternatives sustainability catalyst