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An IR Study on Adsorption of CO and NO on Copper Ion-exchanged Zeolite Beta
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作者 ZHOU Qun,QIU Shi-lun and PANG Wen-qin(Key Laboratory of Inorgaanic Hydrothermal Synthesis,Department of Chemistry,Jilin University,Changchun,130023)XIN Qin and LI Guo-qiang(Key Laboratory of Catalysis,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian,116023) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1995年第2期91-97,共7页
Thee adsorption of CO and NO on copper ion-exchanged zeolite Beta was investigated using IR method.It was found that the thermalvacuum pretreatment procedure could result in the reduction of Cu2+ions in zeolite Beta.T... Thee adsorption of CO and NO on copper ion-exchanged zeolite Beta was investigated using IR method.It was found that the thermalvacuum pretreatment procedure could result in the reduction of Cu2+ions in zeolite Beta.The adsorption of CO on Cu+sites in zeolite Beta closely follows Langmuir isotherm.Another Cu+species may form during the reaction between water and CO.The catalytic decomposition of NO on the zeolite was observed at room temperature,indicating that the decomposition reaction may occur between two coordinated NO ligands of the same dinitrosyhc complex.Furthermore,the appearance of two series of NO adsorption bands reveals that copper ions existing at different cation sites may have different effect on the adsorption and decomposition of NO molecules. 展开更多
关键词 coPPER Zeolite Beta co adsorption no adsorption IR spectroscopy
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Integrated adsorption and photocatalytic removal of methylene blue dye from aqueous solution by hierarchical Nb_(2)O_(5)@PAN/PVDF/ANO composite nanofibers
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作者 Aditya Rianjanu Kurniawan Deny Pratama Marpaung +8 位作者 Elisabeth Kartini Arum Melati Rizky Aflaha Yudha Gusti Wibowo I Putu Mahendra Nursidik Yulianto Januar Widakdo Kuwat Triyana Hutomo Suryo Wasisto Tarmizi Taher 《Nano Materials Science》 EI CAS CSCD 2024年第1期96-105,共10页
This work presents the development of hierarchical niobium pentoxide(Nb_(2)O_(5))-based composite nanofiber membranes for integrated adsorption and photocatalytic degradation of methylene blue(MB)pollutants from aqueo... This work presents the development of hierarchical niobium pentoxide(Nb_(2)O_(5))-based composite nanofiber membranes for integrated adsorption and photocatalytic degradation of methylene blue(MB)pollutants from aqueous solutions.The Nb_(2)O_(5) nanorods were vertically grown using a hydrothermal process on a base electrospun nanofibrous membrane made of polyacrylonitrile/polyvinylidene fluoride/ammonium niobate(V)oxalate hydrate(Nb_(2)O_(5)@PAN/PVDF/ANO).They were characterized using field-emission scanning electron microscopy(FE-SEM),X-ray diffraction(XRD)analysis,and Fourier transform infrared(FTIR)spectroscopy.These composite nanofibers possessed a narrow optical bandgap energy of 3.31 eV and demonstrated an MB degradation efficiency of 96%after 480 min contact time.The pseudo-first-order kinetic study was also conducted,in which Nb_(2)O_(5)@PAN/PVDF/ANO nanofibers have kinetic constant values of 1.29×10^(-2) min^(-1) and 0.30×10^(-2) min^(-1) for adsorption and photocatalytic degradation of MB aqueous solutions,respectively.These values are 17.7 and 7.8 times greater than those of PAN/PVDF/ANO nanofibers without Nb_(2)O_(5) nanostructures.Besides their outstanding photocatalytic performance,the developed membrane materials exhibit advantageous characteristics in recycling,which subsequently widen their practical use in environmental remediation applications. 展开更多
关键词 Hierarchical nanostructure composite nanofiber Niobium pentoxide Dye degradation Synergetic adsorption and photocatalysis
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Effective Elimination of Hazardous Chromium (VI) Using Periodic Elements and Contemporary Adsorption Methods by Using Magnesium Ferrite Nanoparticle: A Review
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作者 Nazmun Nahar Mahabub Hossain Swaron +1 位作者 Md. Aliuzzaman Sheik Md. Jamal Uddin 《Journal of Environmental Protection》 2024年第5期596-619,共24页
A well-known hazardous metal and top contaminant in wastewater is hexavalent chromium. The two forms of most commonly found chromium are chromate ( CrO 4 2− ) and dichromate ( Cr 2 O 7 2− ). Leather tanning, cooling t... A well-known hazardous metal and top contaminant in wastewater is hexavalent chromium. The two forms of most commonly found chromium are chromate ( CrO 4 2− ) and dichromate ( Cr 2 O 7 2− ). Leather tanning, cooling tower blow-down, plating, electroplating, rinse water sources, anodizing baths etc. are the main sources of Cr (VI) contamination. The Cr (VI) is not only non-biodegradable in the environment but also carcinogenic to living population. It is still difficult to treat Cr contaminated waste water effectively, safely, eco-friendly, and economically. As a result, many techniques have been used to treat Cr (VI)-polluted wastewater, including adsorption, chemical precipitation, coagulation, ion-exchange, and filtration. Among these practices, the most practical method is adsorption for the removal of Cr (VI) from aqueous solutions, which has gained widespread acceptance due to the ease of use and affordability of the equipment and adsorbent. It has been revealed that Fe-based adsorbents’ oxides and hydroxides have high adsorptive potential to lower Cr (VI) content below the advised threshold. Fe-based adsorbents were also discovered to be relatively cheap and toxic-free in Cr (VI) treatment. Fe-based adsorbents are commonly utilized in industry. It has been discovered that nanoparticles of Fe-, Ti-, and Cu-based adsorbents have a better capacity to remove Cr (VI). Cr (VI) was effectively removed from contaminated water using mixed element-based adsorbents (Fe-Mn, Fe-Ti, Fe-Cu, Fe-Zr, Fe-Cu-Y, Fe-Mg, etc.). Initial findings suggest that Cr (VI) removal from wastewater may be accomplished by using magnesium ferrite nanomaterials as an efficient adsorbent. 展开更多
关键词 Chromium (VI) Periodic Elements adsorption ELIMINATION Magnesium Ferrite
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Adsorption,in vitro digestion and human gut microbiota regulation characteristics of three Poria cocos polysaccharides 被引量:1
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作者 Fangming Zhang Hui Zheng +10 位作者 Tao Zheng Pan Xu Yao Xu Yuxin Cao Fan Jia Yiqiong Zeng Yubing Fan Kai He Xinwen Dai Fengfei Hou Yong Yang 《Food Science and Human Wellness》 SCIE CSCD 2024年第3期1685-1697,共13页
Poria cocos(PC)is a famous traditional Chinese medicine(TCM)and a widely used healthcare ingredient,which has antiobesity,enhancing immunity and improving sleep effects.Traditionally,only water-soluble poria polysacch... Poria cocos(PC)is a famous traditional Chinese medicine(TCM)and a widely used healthcare ingredient,which has antiobesity,enhancing immunity and improving sleep effects.Traditionally,only water-soluble poria polysaccharide(WSP)is extracted and applied for clinical application,while insoluble polysaccharide(alkali-soluble poria polysaccharide,ASP)is discarded as herb residue.However,the whole PC has also been historically utilized as functional herbal food.Considering the beneficial role of dietary fiber and the traditional use of PC,ASP may also contribute substantially to the therapy function of PC.Compared to WSP,little attention has been paid to ASP and ASP modified product carboxymethyl poria polysaccharide(CMP)which has been used as an antitumor adjuvant drug.In this study,the oil,cholesterol,metal ions and polyphenols adsorption ability,in vitro simulated digestive and the gut microbiota fermentation characteristics of WSP,ASP and CMP were studied to evaluate the functional values of three P.cocos polysaccharides(PCPs).The results showed that all three PCPs had good adsorption capacity on cholesterol,polyphenols and metal ions(Cd^(2+)/Zn^(2+)/Mg^(2+)),among which ASP showed the highest capacity than WSP and CMP.The adsorption capacity of all three PCPs on heavy metal ions(Cd^(2+)/Zn^(2+))was stronger than that of non-heavy metal ions(Mg^(2+));The in vitro digestibility of all three PCPs was very low,but WSP was slightly higher than ASP and CMP;Moreover,the indigestible residue of all three PCPs could improve the richness and diversity of gut microbiota,among which ASP had the greatest influence.In general,ASP and CMP could significantly promote the proliferation of some probiotics and inhibit the growth of some harmful bacteria.The gut microbiota diversity of CMP was reduced,but the richness of probiotics,especially Parabacteroides distasonis was significantly enhanced compared with the ASP group,and the growth of harmful bacteria Klebsiella pneumoniae was inhibited after CMP treatment.The short-chain fatty acids(SCFAs)analysis results showed that all three PCPs could significantly promote the production of acetic acid,propionic acid and the total acid content compared with blank control group,and SCFAs producing activity was positively correlated with the proliferative capacity of probiotics.Taken together,the good adsorption characteristics and gut microbiota regulatory activity of ASP may lay foundation for its lipid-lowering and immune-improving function.Additionally,the probiotic effect of CMP and ASP indicated that except for only use the water extract of PC in clinic,CMP and ASP also can be used in healthcare to take full advantage of this valuable medicine. 展开更多
关键词 Poria cocos polysaccharides Alkali-soluble poria polysaccharide Carboxymethyl poria polysaccharide adsorption characteristics In vitro simulated digestion In vitro simulated gut microbiota fermentation
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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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作者 Siang Chen Wenling Wu +4 位作者 Zhaoyang Niu Deqi Kong Wenbin Li Zhongli Tang Donghui Zhang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第3期282-297,共16页
Flue gas and coal bed methane are two important sources of greenhouse gases.Pressure swing adsorption process has a wide range of application in the field of gas separation,and the selection of adsorbent is crucial.In... Flue gas and coal bed methane are two important sources of greenhouse gases.Pressure swing adsorption process has a wide range of application in the field of gas separation,and the selection of adsorbent is crucial.In 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 kPa.The 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 heat.Both 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 sieve.Moreover,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) separation.The 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. 展开更多
关键词 Activated carbon Carbon molecular sieve Adsorbent evaluation adsorption equilibrium and kinetics Heat of adsorption SELECTIVITY
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The flow behavior of droplet adsorption on a liquid-liquid interface accompanied by cross-linking reaction and phase separation in a microchannel
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作者 Haozhe Yi Taotao Fu +1 位作者 Chunying Zhu Youguang Ma 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第2期60-70,共11页
The adsorption process of droplets on the liquid-liquid interface and phase separation process can regulate the spatial distribution of the fluid system,which are crucial for chemical engineering.However,the cross-lin... The adsorption process of droplets on the liquid-liquid interface and phase separation process can regulate the spatial distribution of the fluid system,which are crucial for chemical engineering.However,the cross-linking reaction,which is widely used in the field of polymers,can change the physical properties of the fluids and affect the flow behavior accordingly.A configuration of microchannels is designed to conveniently generate uniform droplets in one phase of the parallel flow.The flow behavior of the adsorption process of sodium alginate droplets on the liquid-liquid interface is investigated,and the subsequent process of phase separation is studied.In the process of droplet adsorption,the crosslinking reaction occurs synchronously,which makes the droplet viscosity and the elasticity modules of the droplet surface increase,thus affecting the dynamics of the adsorption process and the equilibrium shape of the droplet.The variation of the adsorption length with time is divided into three stages,which all conform to power law relationship.The exponents of the second and third stages deviate from the results of the Tanner's law.The flow pattern maps of droplet adsorption and phase separation are drawn,and the operating ranges of complete adsorption and complete separation are provided.This study provides a theoretical basis for further studying the flow behavior of droplets with cross-linking reaction in a microchannel. 展开更多
关键词 MICRofLUIDICS DROPLET Dynamics CROSSLINK adsorption Separation
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Green Synthesis of Iron(Ⅱ,Ⅲ)-polyphenol Nanoparticles and Their Adsorption of Malachite Green
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作者 胡玉 ZHOU Fan +5 位作者 ZHANG Nan PAN Xiaobin LI Shiying ZHANG Dong LI Li 张玲帆 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第4期1025-1030,共6页
Three kinds of iron nanoparticles(FeNPs)were prepared via green route based on pomegranate(PG),green tea(GT),and mulberry(ML)extracts under ambient conditions.The obtained materials were characterized by scanning elec... Three kinds of iron nanoparticles(FeNPs)were prepared via green route based on pomegranate(PG),green tea(GT),and mulberry(ML)extracts under ambient conditions.The obtained materials were characterized by scanning electron microscopy(SEM),transmission electronic microscopy(TEM),X-ray energy-dispersive spectrometer(EDS),X-ray diffraction(XRD),fourier transform infrared spectroscopy(FTIR),and X-ray photoelectron spectroscopy(XPS)techniques.The experimental results show that FeNPs were in the form of amorphous iron(Ⅱ,Ⅲ)-polyphenol complex with different dispersity and morphologies.GT-Fe has the smallest size range of 25-35 nm,PG-Fe has a moderate size-distribution of 30-40 nm,while ML-Fe formed a tuberous net-type with a sheeting structure.PG-Fe displays the highest removal efficiency of 90.2%in 20 min towards cationic dye of malachite green(16.6%by ML-Fe and 69.3%by GT-Fe),which is attributed to its highest polyphenol content,lowest zeta potential,as well as the most Fe^(2+)on the surface of FeNPs.The removal mechanism was mainly induced by electrostatic adsorption based on pH and zeta potential tests. 展开更多
关键词 IRON NAnoPARTICLES POMEGRANATE green tea MULBERRY adsorption
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Investigations of methane adsorption characteristics on marine-continental transitional shales and gas storage capacity models considering pore evolution
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作者 Chen-Gang Lu Xian-Ming Xiao +4 位作者 Zhen-Qian Xue Zhang-Xin Chen Yin-Tao Dong Yue Feng Gang Li 《Petroleum Science》 SCIE EI CAS CSCD 2024年第4期2273-2286,共14页
Methane adsorption is a critical assessment of the gas storage capacity(GSC)of shales with geological conditions.Although the related research of marine shales has been well-illustrated,the methane adsorption of marin... Methane adsorption is a critical assessment of the gas storage capacity(GSC)of shales with geological conditions.Although the related research of marine shales has been well-illustrated,the methane adsorption of marine-continental transitional(MCT)shales is still ambiguous.In this study,a method of combining experimental data with analytical models was used to investigate the methane adsorption characteristics and GSC of MCT shales collected from the Qinshui Basin,China.The Ono-Kondo model was used to fit the adsorption data to obtain the adsorption parameters.Subsequently,the geological model of GSC based on pore evolution was constructed using a representative shale sample with a total organic carbon(TOC)content of 1.71%,and the effects of reservoir pressure coefficient and water saturation on GSC were explored.In experimental results,compared to the composition of the MCT shale,the pore structure dominates the methane adsorption,and meanwhile,the maturity mainly governs the pore structure.Besides,maturity in the middle-eastern region of the Qinshui Basin shows a strong positive correlation with burial depth.The two parameters,micropore pore volume and non-micropore surface area,induce a good fit for the adsorption capacity data of the shale.In simulation results,the depth,pressure coefficient,and water saturation of the shale all affect the GSC.It demonstrates a promising shale gas potential of the MCT shale in a deeper block,especially with low water saturation.Specifically,the economic feasibility of shale gas could be a major consideration for the shale with a depth of<800 m and/or water saturation>60%in the Yushe-Wuxiang area.This study provides a valuable reference for the reservoir evaluation and favorable block search of MCT shale gas. 展开更多
关键词 High-pressure methane adsorption Marine-continental transitional shale gas Ono-Kondo model adsorption thermodynamics Gas storage capacity model
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Fabrication of graphene oxide decorated with poly(dimethyl amino ethyl methacrylate) brush for efficient Cr(Ⅵ) adsorption from aqueous solution
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作者 Alireza Nouri Siew Fen Chua +2 位作者 Ebrahim Mahmoudi Abdul Wahab Mohammad Wei Lun Ang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第9期51-61,共11页
Confronting the severe health threats and environmental impacts of Cr(Ⅵ) in aquatic environments demands innovative and effective remediation approaches. In this study, Graphene oxide(GO)-decorated poly(dimethyl amin... Confronting the severe health threats and environmental impacts of Cr(Ⅵ) in aquatic environments demands innovative and effective remediation approaches. In this study, Graphene oxide(GO)-decorated poly(dimethyl amino ethyl methacrylate)(PDMAEMA) brush nanocomposites(GOP1, GOP2, GOP3, and GOP4) were fabricated using atom transfer radical polymerization(ATRP) by the “graft from” method.The resulting nanocomposites were utilized for removing Cr(Ⅵ) with good adsorption performance due to the electrostatic interaction of protonated nitrogen groups in the brush chains with negatively charged particles in the solution. The kinetic model of pseudo-second-order best represented the contaminants' adsorption characteristics. The Weber-Morris model further indicated that surface adsorption and intraparticle diffusion mechanisms primarily controlled the adsorption procedure. Additionally, the Langmuir and Temkin isotherm models were found to most accurately represent the adsorption characteristics of the pollutants on the nanocomposites, and GOP4 can achieve the maximum adsorption capacity of 164.4 mg·g^(-1). The adsorbents' capacity maintains above 85% after five cycles of adsorption-desorption. The nanocomposites in this study demonstrate promising potential for eliminating Cr(Ⅵ) from aqueous solutions. 展开更多
关键词 Graphene oxide PDMAEMA brush Polymerization Nanoparticles adsorption Chromium
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Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds
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作者 Peng Guo Hong Zhang +1 位作者 Shuliang Dong Libao An 《Carbon Energy》 SCIE EI CAS CSCD 2024年第2期195-208,共14页
Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batt... Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batteries.In this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur compounds.Results showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface activity.Notably,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped systems.In addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents. 展开更多
关键词 adsorption density functional theory DOPING graphdiyne GRAPHENE sulfur compounds
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Microwave irradiation-induced alterations in physicochemical properties and methane adsorption capability of coals:An experimental study using carbon molecular sieve
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作者 Xuexiang Fu Xing Tang +2 位作者 Yi Xu Xintao Zhou Dengfeng Zhang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第4期165-180,共16页
In order to comprehend the applicability of microwave irradiation for recovering coalbed methane,it is necessary to evaluate the microwave irradiation-induced alterations in coals with varying levels of metamorphism.I... In order to comprehend the applicability of microwave irradiation for recovering coalbed methane,it is necessary to evaluate the microwave irradiation-induced alterations in coals with varying levels of metamorphism.In this work,the carbon molecular sieve combined with KMnO_(4)oxidation was selected to fabricate carbon molecular sieve with diverse oxidation degrees,which can serve as model substances toward coals.Afterwards,the microwave irradiation dependences of pores,functional groups,and highpressure methane adsorption characteristics of model substances were studied.The results indicated that microwave irradiation causes rearrangement of oxygen-containing functional groups,which could block the micropores with a size of 0.40-0.60 nm in carbon molecular sieve;meanwhile,naphthalene and phenanthrene generated by macro-molecular structure pyrolysis due to microwave irradiation could block the micropores with a size of 0.70-0.90 nm.These alterations in micropore structure weaken the saturated methane adsorption capacity of oxidized carbon molecular sieve by 2.91%-23.28%,suggesting that microwave irradiation could promote methane desorption.Moreover,the increased mesopores found for oxidized carbon molecular sieve after microwave irradiation could benefit CH4 diffusion.In summary,the oxidized carbon molecular sieve can act as model substances toward coals with different ranks.Additionally,microwave irradiation is a promising technology to enhance coalbed methane recovery. 展开更多
关键词 Microwave irradiation Physicochemical property coal matrix adsorption Carbon molecular sieve
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Efficient Polytelluride Anchoring for Ultralong-Life Potassium Storage: Combined Physical Barrier and Chemisorption in Nanogrid-in-Nanofiber
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作者 Qinghua Li Dandan Yu +8 位作者 Jian Peng Wei Zhang Jianlian Huang Zhixin Liang Junling Wang Zeyu Lin Shiyun Xiong Jiazhao Wang Shaoming Huang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期364-378,共15页
Metal tellurides(MTes) are highly attractive as promising anodes for high-performance potassium-ion batteries. The capacity attenuation of most reported MTe anodes is attributed to their poor electrical conductivity a... Metal tellurides(MTes) are highly attractive as promising anodes for high-performance potassium-ion batteries. The capacity attenuation of most reported MTe anodes is attributed to their poor electrical conductivity and large volume variation. The evolution mechanisms, dissolution properties, and corresponding manipulation strategies of intermediates(K-polytellurides, K-pTe_(x)) are rarely mentioned. Herein,we propose a novel structural engineering strategy to confine ultrafine CoTe_(2) nanodots in hierarchical nanogrid-in-nanofiber carbon substrates(CoTe_(2)@NC@NSPCNFs) for smooth immobilization of K-pTe_(x) and highly reversible conversion of CoTe_(2) by manipulating the intense electrochemical reaction process. Various in situ/ex situ techniques and density functional theory calculations have been performed to clarify the formation, transformation, and dissolution of K-pTe_(x)(K_(5)Te_(3) and K_(2)Te), as well as verifying the robust physical barrier and the strong chemisorption of K_(5)Te_(3) and K_(2)Te on S, N co-doped dual-type carbon substrates. Additionally, the hierarchical nanogrid-in-nanofiber nanostructure increases the chemical anchoring sites for K-pTe_(x), provides sufficient volume buffer space, and constructs highly interconnected conductive microcircuits, further propelling the battery reaction to new heights(3500 cycles at 2.0 A g^(-1)). Furthermore, the full cells further demonstrate the potential for practical applications. This work provides new insights into manipulating K-pTe_(x) in the design of ultralong-cycling MTe anodes for advanced PIBs. 展开更多
关键词 Polytelluride dissolution Nanogrid-in-nanofiber structure Physicochemical adsorption Reaction mechanism Ultralonglife potassium storage
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Revealing the correlation between adsorption energy and activation energy to predict the catalytic activity of metal oxides for HMX using DFT
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作者 Xiurong Yang Chi Zhang +6 位作者 Wujing Jin Zhaoqi Guo Hongxu Gao Shiyao Niu Fengqi Zhao Bo Liu Haixia Ma 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期262-270,共9页
Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculate... Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculated using DMol3,since HMX and O are key substances in decomposition process.And the relationship between the adsorption energy of HMX,O on metal oxides(TiO_(2),Al_(2)O_(3),PbO,CuO,Fe_(2)O_(3),Co_(3)O_(4),Bi_(2)O_(3),NiO)and experimental T30 values(time required for the decomposition depth of HMX to reach 30%)was depicted as volcano plot.Thus,the T30 values of other metal oxides was predicted based on their adsorption energy on volcano plot and validated by previous experimental data.Further,the adsorption energy of HMX on ZrO_(2)and MnO_(2)was predicted based on the linear relationship between surface energy and adsorption energy,and T30 values were estimated based on volcano plot.The apparent activation energy data of HMX/MgO,HMX/SnO_(2),HMX/ZrO_(2),and HMX/MnO_(2)obtained from DSC experiments are basically consistent with our predicted T30 values,indicating that it is feasible to predict the catalytic activity based on the adsorption calculation,and it is expected that these simple structural properties can predict adsorption energy to reduce the large quantities of computation and experiment cost. 展开更多
关键词 Density functional theory HMX Metal oxides adsorption energy Activation energy
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Corrosion-Resistant Polymer-Derived SiOC Membrane for Effective Organic Removal via Synergistic Adsorption and Peroxymonosulfate Activation
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作者 Jiankun Ji Yarong Gu +4 位作者 Jianning Zhang Chongwen Yu Xiao Hu Yueping Bao Yujie Song 《Transactions of Tianjin University》 EI CAS 2024年第3期238-249,共12页
A major challenge is to construct ceramic membranes with tunable structures and functions for water treatment.Herein,a novel corrosion-resistant polymer-derived silicon oxycarbide(SiOC)ceramic membrane with designed a... A major challenge is to construct ceramic membranes with tunable structures and functions for water treatment.Herein,a novel corrosion-resistant polymer-derived silicon oxycarbide(SiOC)ceramic membrane with designed architectures was fabricated by a phase separation method and was applied in organic removal via adsorption and oxidation for the first time.The pore structure of the as-prepared SiOC ceramic membranes was well controlled by changing the sintering temperature and polydimethylsiloxane content,leading to a pore size of 0.84–1.62μm and porosity of 25.0–43.8%.Corrosion resistance test results showed that the SiOC membranes sustained minimal damage during 24 h exposure to high-intensity acid–base conditions,which could be attributed to the chemical inertness of SiOC.With rhodamine 6G(R6G)as the model pollutant,the SiOC membrane demonstrated an initial eff ective removal rate of 99%via adsorption;however,the removal rate decreased as the system approached adsorption saturation.When peroxymonosulfate was added into the system,efficient and continuous degradation of R6G was observed throughout the entire period,indicating the potential of the as-prepared SiOC membrane in oxidation-related processes.Thus,this work provides new insights into the construction of novel polymer-derived ceramic membranes with well-defined structures and functions. 展开更多
关键词 Polymer-derived ceramics MEMBRANE corrosion resistance adsorption Oxidation
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Characteristics and mechanism of Ni^(2+)and Cd^(2+)adsorption by recovered perlite from agar extraction residue
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作者 Juan Wang Yanbing Zhu +7 位作者 Zedong Jiang Xiping Du Mingjing Zheng Lijun Li Hui Ni Yuanpeng Wang Zhipeng Li Qingbiao Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第8期141-152,共12页
Ni^(2+)and Cd^(2+)in wastewater accumulated through the ecological chain and could jeopardize human health.Adsorption of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite was an important way to solve the prob... Ni^(2+)and Cd^(2+)in wastewater accumulated through the ecological chain and could jeopardize human health.Adsorption of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite was an important way to solve the problem of resource utilization of solid waste from agar production.Our previous study confirmed that recovered perlite from agar extraction residue had better pore size and specific surface area than commercial perlite.However,the adsorption efficiency and adsorption mechanism of recovered perlite were the main factors limiting its adsorption application.The adsorption process of Ni^(2+)and Cd^(2+)by recovered perlite in aqueous solution was described by the pseudo-second-order kinetic equation,and the relevant adsorption mechanism was mainly chemisorption.Compared with commercial perlite,the adsorption removal rate of Ni^(2+)and Cd^(2+)by enzymatic recovered perlite could reach 92.9%and 89.2%,respectively,and were improved by 12.63%and 13.03%.Langmuir isothermal adsorption model could better describe the isothermal adsorption process of recovered perlite on heavy metal Ni^(2+)and Cd^(2+),and the relevant adsorption mechanism was mainly monolayer adsorption.The X-ray photoelectron spectroscopy(XPS)results indicated that the decrease of Si—O Si^(2+)hydroxyl coordination bond and the increase of C—Si bond might make the binding effect of recovered perlite with heavy metals stronger.The competitive adsorption of Ni^(2+)and Cd^(2+)by recovered perlite was still dominated by chemisorption and monolayer adsorption.This study was expected to provide a theoretical basis and technical support for the removal of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite from seaweed residue. 展开更多
关键词 Agar extraction residue Recovered perlite Heavy metal ion adsorption property
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Modified electronic structure and enhanced hydroxyl adsorption make quaternary Pt-based nanosheets efficient anode electrocatalysts for formic acid-/alcohol-air fuel cells
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作者 Fengling Zhao Qiang Yuan +2 位作者 Siyang Nie Liang Wu Xun Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期142-150,共9页
Surface/interface engineering of a multimetallic nanostructure with diverse electrocatalytic properties for direct liquid fuel cells is desirable yet challenging.Herein,using visible light,a class of quaternary Pt_(1)... Surface/interface engineering of a multimetallic nanostructure with diverse electrocatalytic properties for direct liquid fuel cells is desirable yet challenging.Herein,using visible light,a class of quaternary Pt_(1)Ag_(0.1)Bi_(0.16)Te_(0.29)ultrathin nanosheets is fabricated and used as high-performance anode electrocatalysts for formic acid-/alcohol-air fuel cells.The modified electronic structure of Pt,enhanced hydroxyl adsorption,and abundant exterior defects afford Pt_(1)Ag_(0.1)Bi_(0.16)Te_(0.29)/C high intrinsic anodic electrocatalytic activity to boost the power densities of direct formic acid-/methanol-/ethanol-/ethylene glycol-/glycerol-air fuel cells,and the corresponding peak power density of Pt_(1)Ag_(0.1)Bi_(0.16)Te_(0.29)/C is respectively 129.7,142.3,105.4,124.3,and 128.0 mW cm^(-2),considerably outperforming Pt/C.Operando in situ Fourier transform infrared reflection spectroscopy reveals that formic acid oxidation on Pt_(1)Ag_(0.1)Bi_(0.16)Te_(0.29)/C occurs via a CO_(2)-free direct pathway.Density functional theory calculations show that the presence of Ag,Bi,and Te in Pt_(1)Ag_(0.1)Bi_(0.16)Te_(0.29)suppresses CO^(*)formation while optimizing dehydrogenation steps and synergistic effect and modified Pt effectively enhance H_(2)O dissociation to improve electrocatalytic performance.This synthesis strategy can be extended to 43 other types of ultrathin multimetallic nanosheets(from ternary to octonary nanosheets),and efficiently capture precious metals(i.e.,Pd,Pt,Rh,Ru,Au,and Ag)from different water sources. 展开更多
关键词 Pt-based nanosheets Modifiedelectronic structure Enhanced hydroxyl adsorption Formicacidand alcohol oxidation Direct liquid fuel cells
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Adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores for CO_(2) storage:An insight from molecular perspective
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作者 Cheng Qian Zhen-Hua Rui +4 位作者 Yue-Liang Liu Kai Du Chen Liu Yang Zhao Xiao-Min Ma 《Petroleum Science》 SCIE EI CAS CSCD 2024年第4期2444-2456,共13页
It is acknowledged that injecting CO_(2) into oil reservoirs and saline aquifers for storage is a practical and affordable method for CO_(2) sequestration.Most CO_(2) produced from industrial exhaust contains impurity... It is acknowledged that injecting CO_(2) into oil reservoirs and saline aquifers for storage is a practical and affordable method for CO_(2) sequestration.Most CO_(2) produced from industrial exhaust contains impurity gases such as H_(2)S that might impact CO_(2) sequestration due to competitive adsorption.This study makes a commendable effort to explore the adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores.Grand Canonical Monte Carlo(GCMC)simulation is employed to reveal the adsorption of CO_(2),H_(2)S as well as their binary mixtures in calcite nanopores.Results show that the increase in pressure and temperature can promote and inhibit the adsorption capacity of CO_(2) and H_(2)S in calcite nanopores,respectively.CO_(2)exhibits stronger adsorption on calcite surface than H_(2)S.Electrostatic energy plays the dominating role in the adsorption behavior.Electrostatic energy accounts for 97.11%of the CO_(2)-calcite interaction energy and 56.33%of the H_(2)S-calcite interaction energy at 10 MPa and 323.15 K.The presence of H_(2)S inhibits the CO_(2) adsorption in calcite nanopores due to competitive adsorption,and a higher mole fraction of H_(2)S leads to less CO_(2) adsorption.The quantity of CO_(2) adsorbed is lessened by approximately 33%when the mole fraction of H_(2)S reaches 0.25.CO_(2) molecules preferentially occupy the regions near the po re wall and H_(2)S molecules tend to reside at the center of nanopore even when the molar ratio of CO_(2) is low,indicating that CO_(2) has an adsorption priority on the calcite surface over H_(2)S.In addition,moisture can weaken the adsorption of both CO_(2) and H_(2)S,while CO_(2) is more affected.More interestingly,we find that pure CO_(2) is more suitable to be sequestrated in the shallower formations,i.e.,500-1500 m,whereas CO_(2)with H_(2)S impurity should be settled in the deeper reservoirs. 展开更多
关键词 adsorption behavior co_(2)/H_(2)S binary mixtures Molecular perspective Calcite slit nanopores co_(2)sequestration
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Fabrication of Core-Shell Hydrogel Bead Based on Sodium Alginate and Chitosan for Methylene Blue Adsorption
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作者 Xiaoyu Chen 《Journal of Renewable Materials》 EI CAS 2024年第4期815-826,共12页
A novel core-shell hydrogel bead was fabricated for effective removal of methylene blue dye from aqueous solutions.The core,made of sodium alginate-g-polyacrylamide and attapulgite nanofibers,was cross-linked by Calci... A novel core-shell hydrogel bead was fabricated for effective removal of methylene blue dye from aqueous solutions.The core,made of sodium alginate-g-polyacrylamide and attapulgite nanofibers,was cross-linked by Calcium ions(Ca^(2+)).The shell,composed of a chitosan/activated carbon mixture,was then coated onto the core.Fourier transform infrared spectroscopy confirmed the grafting polymerization of acrylamide onto sodium alginate.Scanning electron microscopy images showed the core-shell structure.The core exhibited a high water uptake ratio,facilitating the diffusion of methylene blue into the core.During the diffusion process,the methylene blue was first adsorbed by the shell and then further adsorbed by the core.Adsorption tests showed that the coreshell structure had a larger adsorption capacity than the core alone.The shell effectively enhanced the adsorption capacity to methylene blue compared to the single core.Methylene blue was adsorbed by activated carbon and chitosan in the shell,and the residual methylene blue diffused into the core and was further adsorbed. 展开更多
关键词 core-shell structure hydrogel bead attapulgite nanofiber sodium alginate POLYACRYLAMIDE methylene blue adsorption material
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The Capture and Catalytic Conversion of CO_(2) by Dendritic Mesoporous Silica-Based Nanoparticles
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作者 Yabin Wang Liangzhu Huang +2 位作者 Songwei Li Chuntai Liu Hua He 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期126-151,共26页
Dendritic mesoporous silica nanoparticles own three-dimensional center-radial channels and hierarchical pores,which endows themselves with super-high specific surface area,extremely large pore volumes,especially acces... Dendritic mesoporous silica nanoparticles own three-dimensional center-radial channels and hierarchical pores,which endows themselves with super-high specific surface area,extremely large pore volumes,especially accessible internal spaces,and so forth.Dissimilar guest species(such as organic groups or metal nanoparticles)could be readily decorated onto the interfaces of the channels and pores,realizing the functionalization of dendritic mesoporous silica nanoparticles for targeted applications.As adsorbents and catalysts,dendritic mesoporous silica nanoparticles-based materials have experienced nonignorable development in CO_(2)capture and catalytic conversion.This comprehensive review provides a critical survey on this pregnant subject,summarizing the designed construction of novel dendritic mesoporous silica nanoparticles-based materials,the involved chemical reactions(such as CO_(2)methanation,dry reforming of CH_(4)),the value-added chemicals from CO_(2)(such as cyclic carbonates,2-oxazolidinones,quinazoline-2,4(1H,3H)-diones),and so on.The adsorptive and catalytic performances have been compared with traditional silica mesoporous materials(such as SBA-15 or MCM-41),and the corresponding reaction mechanisms have been thoroughly revealed.It is sincerely expected that the in-depth discussion could give materials scientists certain inspiration to design brand-new dendritic mesoporous silica nanoparticles-based materials with superior capabilities towards CO_(2)capture,utilization,and storage. 展开更多
关键词 catalytic conversion co_(2)adsorption co_(2)capture dendritic mesoporous silica nanoparticles
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Enhanced Dye Adsorption and Bacterial Removal of Magnetic Nanoparticle-Functionalized Bacterial Cellulose Acetate Membranes
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作者 Heru Suryanto Daimon Syukri +7 位作者 Fredy Kurniawan Uun Yanuhar Joseph Selvi Binoj Sahrul Efendi Fajar Nusantara Jibril Maulana Nico Rahman Caesar Komarudin Komarudin 《Journal of Renewable Materials》 EI CAS 2024年第9期1605-1624,共20页
Utilizing biomass waste as a potential resource for cellulose production holds promise in mitigating environmental consequences.The current study aims to utilize pineapple biowaste extract in producing bacterial cellu... Utilizing biomass waste as a potential resource for cellulose production holds promise in mitigating environmental consequences.The current study aims to utilize pineapple biowaste extract in producing bacterial cellulose acetate-based membranes with magnetic nanoparticles(Fe_(3)O_(4)nanoparticles)through the fermentation and esterification process and explore its characteristics.The bacterial cellulose fibrillation used a high-pressure homogenization procedure,and membranes were developed incorporating 0.25,0.50,0.75,and 1.0 wt.%of Fe3O4 nanoparticles as magnetic nanoparticle for functionalization.The membrane characteristics were measured in terms of Scanning Electron Microscope,X-ray diffraction,Fourier Transform Infrared,Vibrating Sample Magnetometer,antibacterial activity,bacterial adhesion and dye adsorption studies.The results indicated that the surface morphology of membrane changes where the bacterial cellulose acetate surface looks rougher.The crystallinity index of membrane increased from 54.34%to 68.33%,and the functional groups analysis revealed that multiple peak shifts indicated alterations in membrane functional groups.Moreover,adding Fe_(3)O_(4)-NPs into membrane exhibits paramagnetic behavior,increases tensile strength to 73%,enhances activity against E.coli and S.aureus,and is successful in removing bacteria from wastewater of the river to 67.4%and increases adsorption for anionic dyes like Congo Red and Acid Orange. 展开更多
关键词 Bacterial cellulose dye adsorption Fe_(3)O_(4)nanoparticles MEMBRANE PINEAPPLE WASTE
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