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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

Compositional evolution for mixed aerosols containing gluconic acid and typical nitrate and the effect of multiply factors on hygroscopicity

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Journal of Environmental Sciences 2024年第5期139卷 206-216页

作者： Yue Zhu Shufeng Pang Yunhong Zhang School of Chemistry and chemical Engineering Beijing Institute of TechnologyBeijing 100081China

The aging process of atmospheric aerosols usually leads to a mixture of inorganic salts and organic compounds of anthropogenic *** organic compounds,polyhydroxy organic acids are important components,however,the study on composition and hygroscopic properties of the mixture containing inorganics and polyhydroxy organic acids is *** this study,gluconic acid,the proxy of polyhydroxy organic acids,is mixed with the representative nitrate(Mg(NO_(3))_(2),Ca(NO_(3))_(2))to form ***-FTIR and optical microscopy are employed to study the component changes and hygroscopicity as a function of relative *** relative humidity fluctuates,the FTIR-ATR spectra display that the internal mixed gluconic acid(CH_(2)(CH)_(4)(OH)_(5)COOH)and nitrate can react to release acidic gases,forming relevant gluconate and further affecting the *** specific presentation is particles cannot be recovered to their original size after the dehydration-hydration process and there will be some disparities in GF for mixed *** the gluconic acid-Ca(NO_(3))_(2)/Mg(NO_(3))_(2)mixtures with molar ratios of 1:1,higher degree of reaction resulting in the production of large amounts of gluconate should be responsible to the lower hygroscopicity compared to ZSR *** 1:2 gluconic acid-nitrate mixed systems(with higher nitrate content),the hygroscopicity of mixtures are higher than the ZSR prediction.A possible reason could be‘salt-promoting effect’on the organic fractions of the surplus inorganic salt in the *** data can improve the chemical composition list evaluation,in turn hygroscopic properties and phase state of atmospheric aerosol,and then the climate effect.

关键词： Hygroscopicity Gluconic acid Reaction ZSR simulation Size growth factors

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Molecular-scale co-assembly membranes derived from keplerate cluster: carbonic anhydrase-mimicking nanocapsules for enhanced CO2/N2 separation

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Science China Chemistry 2024年第10期67卷 3271-3282页

作者： Wan-Lei Zhao Hongqiang Li Ruoxuan Zheng Yixin Yang Wei Chen Yu-Fei Song State Key Laboratory of chemical Resource Engineering Beijing University of Chemical Technology Quzhou institute for Innovation in Resource chemical Engineering

The development of CO2separation membranes with high permeability and high selectivity,as well as ultra-thin selective layers,has always been ***,a molecular-scaled co-assembly strategy is employed to fabricate the Pebax-Mo132(Pebax=polyether-block-amide copolymer;Mo132=（NH4）42[Mo72ⅥMoⅤ60O372（CH3COO）30（H2O）72]) *** optimal selfstanding membrane,Pebax-Mo132-5%,shows a CO2permeability of～384 Barrer and an ultra-high ideal CO2/N2selectivity of～244,outperforming most membranes reported in the *** CO2permeability and ideal CO2/N2selectivity are increased by 70%and 367%,respectively,compared with the pristine Pebax membrane.A thin-film composite membrane prepared by spin-coating technique on a support membrane with gutter layers also exhibits a CO2permeance of 838 GPU and a CO2/N2selectivity of *** excellent performance can be attributed to the following reasons:（1） strong hydrogen bonding interactions between{Mo132}clusters and Pebax confer excellent interfacial compatibility to the mixed matrix membranes;（2）incorporation of hollow{Mo132}clusters into the Pebax molecular chain decreases the crystallinity of Pebax,and thereby accelerates the chain dynamics and increases the free volume of the membrane;（3） in situ diffuse reflectance infrared Fouriertransform spectroscopy demonstrates that the{Mo132}clusters can effectively catalyze the hydration reaction of CO2and promote the transport of CO2;（4） furthermore,the 0.35 nm pores of the crown ether-type{Mo9O9}allow the accurate size sieving of CO2（0.33 nm） and N2（0.36 nm） molecules.

关键词： polyoxometalates molecular-scale assembly CO2 capture mixed matrix membranes

Enhancing alkyne semi-hydrogenation through engineering metal-support interactions of Pd on oxides

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Nano Research 2024年第5期17卷 3707-3713页

作者： Yuefeng Wu Xiaotong Lu Pengfei Cui Wenyu Jia Jun Zhou Yuan Wang Hussain Zahid Yuxin Wu Muhammad Umer Rafique Xiong Yin Baoshan Li Leyu Wang Guolei Xiang State Key Laboratory of chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China CAS Key Laboratory of Science and technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China College of chemical Engineering Beijing University of Chemical TechnologyBeijing 100029China

Supported Pd catalysts show superior activities for olefin productions from alkynes through semi-hydrogenation reactions,but over-hydrogenation into alkanes highly decreases olefin *** phenylacetylene semi-hydrogenation as a model reaction,here we explore the optimization approaches toward better Pd catalysts for alkyne semi-hydrogenation through investigating support effect and metal-support *** results show that the states of Pd with supports can be tuned by varying oxide reducibility,loading ratios,and *** our system,0.06 wt.%Pd on rutile-TiO_(2) nanorods shows the highest activity owing to the synergistic effects of single-atoms and *** reducibility can change the filling degrees of Pd 4d orbitals through varying interfacial bonding strengths,which further affect catalytic activity and selectivity.

关键词： alkyne semi-hydrogenation support effect metal-support interaction Pd catalyst single-atom catalyst

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

Layered double hydroxides functionalization toward rechargeable batteries Author links open overlay panel

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Particuology 2024年第8期91卷 138-154页

作者： Jianxiong Gao Bowen Jin Mingfei Shao State Key Laboratory of chemical Resource Engineering Beijing University of Chemical TechnologyBeijing100029China Renewable Energy Research institute Quzhou Institute for Innovation in Resource Chemical EngineeringQuzhou324000China

Layered double hydroxides(LDHs),known as typical two-dimensional materials with unique physicochemical properties,are regarded as promising candidates in energy storage ***,some inherent defects,such as poor conductivity and limited active sites,hinder the further development of ***,various functionalization strategies(e.g.,intercalation of guest molecules;metal ions doping and defect introduction of host layer;exfoliation to monolayer;hybridization with functional materials;construction of hierarchical structure;interface engineering and phase transformation)have been used to modify the characteristics of LDHs,which provides guidance for designing novel *** this review,we discuss how these strategies improve the properties of LDH-based materials,which are expected to possess high electronic and ionic conductivity,high specific surface area and high mechanical and chemical stability ***,the application of LDH-based materials in advanced energy conversion and storage techniques,including metal-ions batteries,lithium-sulfur batteries and metal-air batteries,have been comprehensively summarized.

关键词： Layered double hydroxide Functionalization strategy Rechargeable battery

Development of lithium-free P2-type high-sodium content cathode materials with enhanced cycle and air stability for sodium-ion batteries

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Rare Metals 2024年第1期43卷 113-123页

作者： Jin-Lv Tian Lin-Rong Wu Hai-Jun Zhao Shou-Dong Xu Liang Chen Ding Zhang Xiao-Chuan Duan College of chemical Engineering and technology Taiyuan University of TechnologyTaiyuan 030024China College of Chemistry Taiyuan University of TechnologyTaiyuan 030024China School of chemical Engineering and Pharmacy Wuhan Institute of TechnologyWuhan 430205China

The effect of partial substitution of Mg for Ni on a high-sodium and lithium-free layered P2-type Na_(45/54)Mg_(6)/_(54)Ni_(12/54)Mn_(34/54)O_(2) cathode with high initial Coulombic efficiency and excellent cyclic stability has been investigated in this *** on the crystal structural analysis,the Mg doping can retain the P2 structure up to 4.3 V,thus restraining the detrimental phase transformation of P2-02during the Na-ion intercalation/deintercalation ***,the obtained Mg-doped P2-type cathode exhibits a reversible specific capacity of 109 mAh·g^(-1) at 0.1C between 2.0 and 4.3 V and a retention rate of 81.5% after 200cycles at *** addition,the full cell consisting of Mg-doped P2-type cathode and hard carbon anode shows a capacity retention rate of 85.6% after 100 *** study provides new insight into the development of durable cathode materials for sodium-ion batteries.

关键词： Sodium-ion batteries Cathode material High sodium content Air stability

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Enhanced stability of nitrogen-doped carbon-supported palladium catalyst for oxidative carbonylation of phenol

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Chinese Journal of chemical Engineering 2024年第1期65卷 19-28页

作者： Xiaojing Liu Ruohan Zhao Hao Zhao Zhimiao Wang Fang Li Wei Xue Yanji Wang Hebei Provincial Key Laboratory of Green chemical technology and High Efficient Energy Saving School of Chemical Engineering and TechnologyHebei University of TechnologyTianjin 300130China Tianjin Key Laboratory of chemical Process Safety Tianjin 300130China Hebei Industrial technology Research institute of Green chemical Industry Huanghua 061100China

Enhancing the stability of supported noble metal catalysts emerges is a major challenge in both science and ***,a heterogeneous Pd catalyst(Pd/NCF)was prepared by supporting Pd ultrafine metal nanoparticles(NPs)on nitrogen-doped carbon;synthesized by using F127 as a stabilizer,as well as chitosan as a carbon and nitrogen *** Pd/NCF catalyst was efficient and recyclable for oxidative carbonylation of phenol to diphenyl carbonate,exhibiting higher stability than Pd/NC prepared without F127 *** hydrogen bond between chitosan(CTS)and F127 was enhanced by F127,which anchored the N in the free amino group,increasing the N content of the carbon material and ensuring that the support could provide sufficient N sites for the deposition of Pd *** process helped to improve metal *** increased metal-support interaction,which limits the leaching and coarsening of Pd NPs,improves the stability of the Pd/NCF ***,density functional theory calculations indicated that pyridine N stabilized the Pd^(2+)species,significantly inhibiting the loss of Pd^(2+)in Pd/NCF during the reaction *** work provides a promising avenue towards enhancing the stability of nitrogen-doped carbon-supported metal catalysts.

关键词： Supported Pd catalyst N-doped carbon Amphiphilic triblock copolymer Pyridinic nitrogen Stability

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Defect engineering of W^(6+)-doped NiO for high-performance black smart windows

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Nano Research 2024年第4期17卷 3043-3052页

作者： Yingjun Xiao Xiang Zhang Dukang Yan Jianbo Deng Mingjun Chen Hulin Zhang Wenhai Sun Jiupeng Zhao Yao Li School of Chemistry and chemical Engineering Harbin Institute of TechnologyHarbin 150001China Center for Composite Materials and Structure Harbin Institute of TechnologyHarbin 150001China

In this report,W^(6+)doping as a defect engineering strategy has been proposed to improve the electrochromic properties of NiO *** research was conducted to explore the electrochromic properties and the modified mechanism of W-doped NiO *** to the pure NiO,W-doped NiO film exhibits improved electrochromic properties with significant optical modulation(61.56%at 550 nm),fast switching speed(4.42 s/1.40 s for coloring/bleaching),high coloration efficiency(45.41 cm^(2)·C-1)and outstanding cycling stability(no significant attenuation after 2000 cycles)in Li-based *** functional theory(DFT)calculations combined with the experimental results indicate that the improved electrochromic properties were due to enhanced the electronic conductivity and ion conductivity after the introduction of W^(6+).The charge capacity of W-doped NiO has also been improved,and it can function with WO_(3) to achieve a high performance black electrochromic smart window(ECSW)by balancing *** work could advance the fundamental understanding of defect engineering as an effective strategy to boost the electrochromic properties of NiO anodic material,manifesting a significant development as a candidate counter electrode in high-performance black smart windows.

关键词： NiO defect engineering charge balance black electrochromic windows