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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

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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

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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

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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

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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

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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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Recent advances in Pt catalysts and membrane electrode assemblies fabrication for proton exchange membrane fuel cells

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Rare Metals 2024年第9期43卷 4198-4221页

作者： Miao Ma Li-Xiao Shen Jing Liu Bin Xu Yun-Long Zhang Lei Zhao Zhen-Bo Wang School of Chemistry and chemical engineering Harbin Instituteof Technology College of Environmental and chemical engineering YanshanUniversity Unipower Hydrogen technology (Jiangsu) Corporation

Proton exchange membrane fuel cells(PEMFCs) have been identified as a highly promising means of achieving sustainable energy conversion. A crucial factor in enhancing the performance of PEMFCs for further potential energy applications is the advancement in the field of catalyst engineering that has led to remarkable performance enhancement in facilitating the oxygen reduction reaction(ORR). Subsequently, it is important to acknowledge that the techniques used in preparation of membrane electrode assemblies(MEAs), the vital constituents of PEMFCs, also possess direct and critical influence on exhibiting the full catalytic activity of meticulously crafted catalysts. Here, a succinct summary of the most recent advancements in Pt catalysts for ORR was offered and their underly catalytic mechanism were discussed. Then, both laboratory-scale and industrial-scale MEA fabrication techniques of Pt catalysts were summarized. Furthermore, a detailed analysis of the connections between materials, process, and performance in MEA fabrication was presented in order to facilitate the development of optimal catalyst layers.

关键词： MEA fabrication techniques Membrane electrode assemblies Oxygen reduction reaction Pt catalysts

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High adsorption selectivity of activated carbon and carbon molecular sieve boosting CO_(2)/N_(2) and CH_(4)/N_(2) separation

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Chinese Journal of chemical engineering 2024年第3期67卷 282-297页

作者： Siang Chen Wenling Wu Zhaoyang Niu Deqi Kong Wenbin Li Zhongli Tang Donghui Zhang The Research Center of chemical engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

Flue gas and coal bed methane are two important sources of greenhouse *** swing adsorption process has a wide range of application in the field of gas separation,and the selection of adsorbent is *** this regard,in order to assess the better adsorbent for separating CO_(2) from flue gas and CH_(4) from coal bed methane,adsorption isotherms of CO_(2),CH_(4) and N_(2) on activated carbon and carbon molecular sieve are measured at 303.15,318.15 and 333.15 K,and up to 250 *** experimental data fit better with Langmuir 2 compared to Langmuir 3 and Langmuir-Freundlich models,and Clausius-Clapeyron equation was used to calculate the isosteric *** the order of the adsorbed amount and the adsorption heat on the two adsorbents are CO_(2)>CH_(4)>N_(2).The adsorption kinetics are calculated by the pseudo-first kinetic model,and the order of adsorption rates on activated carbon is N_(2)-CH_(4)>CO_(2),while on carbon molecular sieve,it is CO_(2)-N_(2)>CH_(4).It is shown that relative molecular mass and adsorption heat are the primary effect on kinetics for activated carbon,while kinetic diameter is the main resistance factor for carbon molecular ***,the adsorption selectivity of CH_(4)/N_(2) and CO_(2)/N_(2) were estimated with the ideal adsorption solution theory,and carbon molecular sieve performed best at 318.15 K for both CO_(2) and CH_(4) *** study suggested that activated carbon is a better choice for separating flue gas and carbon molecular sieve can be a strong candidate for separating coal bed methane.

关键词： Activated carbon Carbon molecular sieve Adsorbent evaluation Adsorption equilibrium and kinetics Heat of adsorption Selectivity

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Process intensification for the synthesis and purification of battery-grade Li_(2)CO_(3)with microfluidics

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Particuology 2024年第7期90卷 106-117页

作者： Haodu Li Jie Zhang Lin Dai Le Du Jiqin Zhu The State Key Laboratory of chemical Resource engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

Battery-grade lithium carbonate(Li_(2)CO_(3))with a purity of higher than 99.5 wt%is of great importance as a high value-added lithium ***,influences of different reaction systems and process control on product purity remain ***,a membrane dispersion microreactor was used to enhance the mass transfer of preparation and purification processes in homogeneous and heterogeneous *** systems of Na_(2)CO_(3)–LiCl,NH_(4)HCO_(3)–LiCl,and NH_(3)·H_(2)O−CO_(2)−LiCl,CO_(2)purification based on carbonation and decomposition were *** Li_(2)CO_(3)purity was increased by the improvement of mixing *** carbonation time was reduced by 62.5%and 58.3%for the NH_(3)·H_(2)O−CO_(2)and CO_(2)purification systems,*** the two ammonia-based systems,Li_(2)CO_(3)particles with a purity of 99.7–99.8 wt%were one-step prepared with a size of 3–5μm,which also met the requirement of the battery-grade *** purity was further increased to 99.9 wt%by CO_(2)purification and LiHCO_(3)*** investigation could provide a feasible alternative for the controllable preparation of battery-grade Li_(2)CO_(3)in one or multiple steps.

关键词： Microfluidics Battery grade Li_(2)CO_(3) Process intensification High purity

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Studying the effect of surfactant assisted low-salinity water flooding on clay-rich sandstones

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Petroleum 2024年第2期10卷 306-318页

作者： Saeed Khezerloo-ye Aghdam Alireza Kazemi Mohammad Ahmadi department of Petroleum engineering Amirkabir University of Technology (AUT) department of Petroleum and chemical engineering College of Engineering Sultan Qaboos University

Sandstone reservoirs often contain clay particles that can cause damage and reduce permeability during low-salinity water flooding. In this study, the effect of surfactants on fine migration in clay-rich sandstones and its impact on oil recovery was ***, the impact of surfactants on interparticle forces in fine-matrix, fine-fine, and oil-matrix systems was modeled. The results showed that both CTAB(cetyltrimethyl ammonium bromide) and QS(quillaja saponin) cause EDL compaction, weakening the repulsive forces. However, SDS(sodium dodecyl sulfate)and TX(triton X-100) do not affect the EDL. Next, the effect of surfactants on IFT reduction and wettability alteration was experimentally investigated. All surfactants reduced IFT due to the surface excessive concentration mechanism. The wettability alteration experiment illustrated that although QS and CTAB compact EDL around oil and matrix particles leading to attraction force augmentation, they both alter wettability through adsorption on matrix and carboxylic groups present in crude oil, *** aqueous solutions were then injected into various clay-rich sandstone sanpacks, which resulted in increased oil recovery. However, the mechanisms leading to enhanced oil recovery variedby surfactant type. CTAB increased recovery by 10% through IFT reduction and wettability alteration, while SDS and TX increased recovery by 12% and 9%, respectively, through wettability alteration and extreme fine migration. In contrast, partial fine migration in the QS flooding experiment reached a recovery increase of 18%. Permeability trends through experiments were also recorded. During CTAB injection,permeability did not reduce, while QS aqueous solution reduced rock permeability to 5 m D. SDS and TX reduced the magnitude of permeability to 2 m *** conclusion, this study demonstrates that surfactants can effectively improve oil recovery in clay-rich sandstones by altering the interparticle forces, reducing IFT, a

关键词： Surfactant flooding Smart water Fine migration Recovery factor

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