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Molecular simulation of CH_(4)/CO_(2)/N_(2)ternary mixture competitive adsorption and diffusion dynamics in tight sandstone
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作者 Shihao Xu Cheng Cao +9 位作者 Yulong Zhao Liehui Zhang Qingping Li Shouwei Zhou Shaomu Wen Yong Hu Jinbu Li Yunsheng Wei Wei Xiong Bowen Guan 《Natural Gas Industry B》 2026年第1期77-92,共16页
Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under re... Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under reservoir conditions require further investigation.This study employs Grand Canonical Monte Carlo(GCMC)and Molecular Dynamics(MD)simulations to quantify the adsorption and diffusion behaviors of CO_(2),N_(2),and CH_(4)in quartz nanopores over a pressure range of 1-24 MPa under varying water saturations and gas compositions.The results indicate that:(1)CO_(2)exhibits the broadest energy distribution and the strongest adsorption stability,occupying about 20%-30%more adsorption sites than CH_(4)or N_(2)and showing the least sensitivity to water saturation,with only a 30%reduction at 50%saturation,compared to 60%for CH_(4),giving CO_(2)a clear competitive advantage.(2)The adsorption and desorption behaviors are strongly pressure dependent,as increasing pressure reduces the adsorption layer area and shifts gas distribution from adsorption dominated to free phase.Competitive adsorption analysis reveals that while CO_(2)dominates displacement at low pressures,mixtures that contain N_(2)achieve higher CH_(4)desorption efficiency above 13 MPa by mitigating diffusion resistance.(3)A higher N_(2)fraction improves CH_(4)diffusion coefficients,thereby facilitating gas mobility and ensuring superior recovery performance under high-pressure conditions.This study advances the fundamental knowledge of microscale gas behavior in tight sandstones and supports the feasibility of impure CO_(2)injection as a practical strategy for sustainable gas production. 展开更多
关键词 Competitive adsorption diffusion coefficient Ternary mixture Tight sandstone Molecular simulation
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Mechanisms of competitive adsorption and diffusion of ethyl sulfide and n-butyl mercaptan with cyclohexene in FAU:MC and MD
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作者 Dongdong Chen Pei Xue +3 位作者 Dongyang Liu Yuhao Zhang Liang Zhao Jinsen Gao 《Chinese Journal of Chemical Engineering》 2025年第9期280-293,共14页
An in-depth understanding of the competition mechanism between olefins and different types of sulfides in gasoline is essential to improve the desulfurization selectivity of the adsorption desulfurization process(ADS)... An in-depth understanding of the competition mechanism between olefins and different types of sulfides in gasoline is essential to improve the desulfurization selectivity of the adsorption desulfurization process(ADS).In this study,the competitive adsorption and diffusion mechanism of two systems,diethyl sulfide/cyclohexene and n-butyl mercaptan/cyclohexene,with different adsorption amounts in siliceous faujasite zeolite(FAU) were investigated by Monte Carlo(MC) and molecular dynamics(MD).The systems exhibited a two-stage loading-dependent competitive adsorption and diffusion mechanism,with an inflection point of 32 molecule/UC(moleculers per microcoulomb).Before the inflection point(4-32molecule/UC),the competition mechanism of the two systems was the "optimal-displacement" mechanism.After the inflection point,the mechanism of the diethyl sulfide/cyclohexene changed to "relocation-displacement",while that of the n-butyl mercaptan/cyclohexene system changed to "dominantdisplacement".Compared to ether functional groups,the alcohol functional group has higher polarity and stronger adsorption stability,thus occupying more favorable adsorption sites within the supercages(SCs),while ethyl sulfide shifts outward to other sites within other SCs.In addition,the diffusion performance of adsorbent is related to the adsorption energy.The lower the adsorption energy,the weaker the diffusion ability.Meanwhile,the diffusion performance of adsorbates is better at high temperatures and low adsorption capacity.The effect of temperatu re on the desulfu rization selectivity was determined.A lower temperature is favorable for the adsorption capacity of the two systems and the removal selectivity of sulfides.This study provides fundamental insights into the competitive adsorption and diffusion mechanisms among sulfides,mercaptans and olefins,offering theoretical guidance for adsorbent design and reaction temperature optimization. 展开更多
关键词 Competitive adsorption and diffusion adsorption desulfurization FAU Monte Carlo Molecular dynamics
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Construction of an adsorption-diffusion model reveals the conversion-deposition process of polysulfides
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作者 Wenhao Yang Dan You +7 位作者 Zhicong Ni Yongshun Liang Yingjie Zhang Yunxiao Wang Qingsong Liu Xue Li Yiyong Zhang Jiajun Wang 《Green Energy & Environment》 2025年第9期1911-1921,共11页
Despite progress in suppressing polysulfide shuttling,this challenge persists in lithium-sulfur battery commercialization.While existing strategies emphasize polysulfide adsorption and catalytic conversion,the critica... Despite progress in suppressing polysulfide shuttling,this challenge persists in lithium-sulfur battery commercialization.While existing strategies emphasize polysulfide adsorption and catalytic conversion,the critical role of diffusion kinetics in conversion–deposition processes remains underexplored.We design an MXene-based array architecture integrating 2D structural advantages and strong polysulfide affinity to regulate diffusion pathways.Combined experimental and multiscale computational studies reveal diffusion-mediated conversion-deposition dynamics.The sodium alginate-constructed MXene array enables three synergistic mechanisms:(1)Enhanced ion/electron delocalization reduces diffusion barriers,(2)Continuous ion transport channels facilitate charge transfer,and(3)Exposed polar surfaces promote polysulfide aggregation/conversion.Synchrotron X-ray tomography coupled with comprehensive electrochemical analyses reveals distinct mechanistic differences between conversion and deposition processes arising from diffusion heterogeneity.In situ characterization techniques combined with DFT simulation calculations demonstrate that diffusion kinetics exerts differential regulatory effects on these coupled electrochemical processes,exhibiting particular sensitivity toward the deposition mechanism.This work provides fundamental insights that reshape our understanding of diffusion-mediated phase transformation in complex multi-step electrochemical systems,offering new perspectives for advanced electrode architecture design in next-generation energy storage technologies. 展开更多
关键词 Lithium-sulfur battery diffusion Conversion-deposition Closed loop effect
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Effect of secondary pore distribution on adsorption diffusion performance of n-hexane on 5A zeolite pellets 被引量:1
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作者 杜旭东 刘宗健 +2 位作者 崔群 王海燕 姚虎卿 《Journal of Southeast University(English Edition)》 EI CAS 2011年第3期284-289,共6页
Adsorption rates of n-hexane on the 5A zeolite at 100 to 300 ℃ and 0.01 to 10 kPa are determined by an intelligent gravimetric analyzer (IGA-100), and the adsorption diffusion performance of n-hexane on 5A zeolite ... Adsorption rates of n-hexane on the 5A zeolite at 100 to 300 ℃ and 0.01 to 10 kPa are determined by an intelligent gravimetric analyzer (IGA-100), and the adsorption diffusion performance of n-hexane on 5A zeolite pellets with different secondary pore distributions is analyzed. The results indicate that 5A-1 and 5A-6 zeolites have similar micropore and mesopore size distribution, while the 5A-6 zeolite has a larger secondary pore volume when the pore diameter is between 0.1 and 1 μm and more secondary pores when the pore diameter is less than 0.01 μm. The effective diffusion coefficient of nhexane on the 5A-6 zeolite pellet is 10 ^-6 to 10 4 cm^2/s, about 2 to 5 times higher than that on the 5A-1 zeolite. The effective diffusion coefficient of n-hexane on the 5A-1 zeolite pellet improves from 5 × 10^-7 to 2 × 10 6cm^2/s when the temperature increases from 100 to 300 ~C. However, the effective diffusion coefficient of n-hexane on the 5A-6 zeolite remains almost unchanged at different temperatures. The molecular average free path of n-hexane decreases from 627.15-963.28 to 0.63-0, 96 Ixm with the adsorption pressure increasing from 0.01 to 10 kPa. Such a flee path is close to the secondary pore diameter, resulting in significant Knudsen diffusion in the secondary pores. Thus, the effective diffusion coefficient of n-hexane on the 5A zeolite pellets increases before 1 kPa and decreases after 1 kPa. 展开更多
关键词 5A zeolite pore structure secondary pore diffusion N-HEXANE
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A Ni(Ⅱ)metal-organic framework based on the 4,4′-biphenyldicarboxylic acid ligand and its adsorption performance for tetracycline
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作者 LIN Chuansong ZHANG Chuqing LI Shixiong 《无机化学学报》 北大核心 2026年第3期593-605,共13页
In this study,a nickel-based MOF{(NH_(2)(CH_(3))_(2))_(2)[Ni_(3)(O)(L)3(NH(CH_(3))_(2))_(3)]}_(n)(Ni_(3)-MOF),with pore sizes of approximately 1.6 nm×1.6 nm,was synthesized by reacting 4,4′-biphenyldicarboxylic ... In this study,a nickel-based MOF{(NH_(2)(CH_(3))_(2))_(2)[Ni_(3)(O)(L)3(NH(CH_(3))_(2))_(3)]}_(n)(Ni_(3)-MOF),with pore sizes of approximately 1.6 nm×1.6 nm,was synthesized by reacting 4,4′-biphenyldicarboxylic acid(H_(2)L)with Ni(NO_(3))_(2)·6H_(2)O in an N,N-dimethylformamide(DMF)solution.The nanoscale adsorbent Ni_(3)-MOF-N with a particle diameter of approximately 200 nm was prepared using Ni_(3)-MOF.It exhibited a maximum equilibrium tetracycline(TC)adsorption capacity of 358.2 mg·g^(-1)at its isoelectric point(pH=6.50),outperforming most reported MOF-based adsorbents.This exceptional performance is likely attributed to the well-matched pore size of Ni_(3)-MOF-N(1.6 nm×1.6 nm)and the molecular dimensions of TC(0.8 nm×1.2 nm),combined with the presence of partial Ni(Ⅱ)sites on the surface of Ni_(3)-MOF-N.These features collectively facilitate effective TC adsorption through a combination of pore filling,electrostatic attraction,hydrogen bonding,surface complexation,andπ-πinteractions.Recycling experiments demonstrated that Ni_(3)-MOF-N possesses excellent structural stability and consistent adsorption performance.CCDC:2481791,Ni_(3)-MOF. 展开更多
关键词 metal-organic framework adsorption TETRACYCLINE wastewater treatment
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In situ construction of ammonium phosphomolybdate@ZIF-8 composite for Rb^(+)and Cs^(+)adsorption performance
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作者 WANG Yang ZHANG Lulu +4 位作者 HE Hanjiang ZHANG Xia SUN Xiaohong WANG Fan WANG Shuli 《无机化学学报》 北大核心 2026年第4期826-842,共17页
A metal-organic framework/inorganic composite(ZIF-8@AMP)was synthesized by the in situ introduction of the active component ammonium phosphomolybdate(AMP)during the ambient solution-phase synthesis of the metal-organi... A metal-organic framework/inorganic composite(ZIF-8@AMP)was synthesized by the in situ introduction of the active component ammonium phosphomolybdate(AMP)during the ambient solution-phase synthesis of the metal-organic framework(ZIF-8).The structure and properties of the composite were characterized using scanning electron microscopy(SEM),X-ray powder diffraction(XRD),X-ray photoelectron spectroscopy(XPS),thermogravimetric analysis(TGA),and Fourier transform infrared spectroscopy(FTIR).Its adsorption performance for Rb^(+)and Cs^(+)in water was investigated.Results indicate that ZIF-8@AMP exhibited adsorption efficiencies of 93.5%and 95.6%for Rb^(+)and Cs^(+)within 30 min,with maximum adsorption capacities of 92.7 and 104.5 mg·g^(-1),respectively.After five adsorption-desorption cycles,it maintained high adsorption capacity and achieved over 84.9%adsorption efficiency for Rb^(+)and Cs^(+)in actual brine samples.The adsorption of ZIF-8@AMP for Rb^(+)and Cs^(+)follows pseudosecond-order kinetics and the Langmuir adsorption isotherm,indicating an endothermic,entropy-increasing,and spontaneous process.The adsorption mechanism involves electrostatic attraction and ion exchange between ZIF-8@AMP and Rb^(+)and Cs^(+). 展开更多
关键词 ammonium phosphomolybdate ZIF-8 RUBIDIUM CESIUM adsorption
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基于Stable Diffusion的乡村农房造型设计方法与应用研究——以绍兴市笕桥村为例
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作者 金雷雷 楼瑛浩 刘子琛 《建筑与文化》 2026年第3期269-272,共4页
针对当下乡村农房设计中普遍存在的样板化倾向与个性化、地域化需求之间的矛盾,文章系统探讨了以Stable Diffusion为代表的生成式人工智能工具在乡村农房造型设计中的应用。研究建立了一套相对完整的技术路线,涵盖农房数据收集与处理、... 针对当下乡村农房设计中普遍存在的样板化倾向与个性化、地域化需求之间的矛盾,文章系统探讨了以Stable Diffusion为代表的生成式人工智能工具在乡村农房造型设计中的应用。研究建立了一套相对完整的技术路线,涵盖农房数据收集与处理、专项模型训练及测试、方案生成与迭代、深化设计、落地实施与意见反馈。以浙江省绍兴市笕桥村实践项目为例,验证了该设计方法能够高效生成兼具地方民居风貌与业主个性需求的农房方案,并显著提升了设计效率及风貌契合性。 展开更多
关键词 人工智能生成内容 乡村农房 造型设计 Stable diffusion
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Stable Diffusion AI辅助下基于边缘增强的数字图像优化处理
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作者 臧德龙 汤陈燕 《兰州文理学院学报(自然科学版)》 2026年第2期45-50,65,共7页
针对传统数字图像优化方法存在的特征表征能力不足等问题,提出一种深度框架下Stable Diffusion AI辅助的数字图像优化处理方法.首先,通过图像归一化、畸变校正两个步骤,完成数字图像的预处理;其次,在深度学习框架下,利用卷积神经网络算... 针对传统数字图像优化方法存在的特征表征能力不足等问题,提出一种深度框架下Stable Diffusion AI辅助的数字图像优化处理方法.首先,通过图像归一化、畸变校正两个步骤,完成数字图像的预处理;其次,在深度学习框架下,利用卷积神经网络算法和注意力机制,提取数字图像特征;然后,利用Stable Diffusion模型消除数字图像噪声,根据提取图像纹理特征,补偿数字图像缺失区域;最后,以提取的数字图像边缘特征为处理对象,针对低频轮廓与高频细节两个部分,实现数字图像边缘特征增强.通过亮度和对比度增强,实现数字图像优化处理.实验结果表明,与传统方法相比,本文方法得到数字图像处理结果的峰值信噪比提高2.87,直方图空白区间比减小0.11,且结构相似性达到96%以上,证明优化设计方法处理性能更优. 展开更多
关键词 深度框架 Stable diffusion软件 数字图像 图像处理 图像优化
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Stable Diffusion扩散机制下白马曹盖面具的风格化迁移研究
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作者 朱光良 张鑫 《染整技术》 2026年第3期39-42,52,共5页
生成式人工智能的发展以及AI图像生成技术的加速迭代,促进了多模态内容生成模型在参数规模与语义表征能力上的双重突破。其中以Stable Diffusion为代表的扩散模型通过潜空间降噪采样机制与跨模态语义对齐技术,在“文本-图像”跨域生成... 生成式人工智能的发展以及AI图像生成技术的加速迭代,促进了多模态内容生成模型在参数规模与语义表征能力上的双重突破。其中以Stable Diffusion为代表的扩散模型通过潜空间降噪采样机制与跨模态语义对齐技术,在“文本-图像”跨域生成任务中表现出了强大优势。基于此,以Stable Diffusion设计平台为媒,本研究通过风格图片与文本指令的双重引导,对白马曹盖面具进行风格化迁移尝试和图式言语再造,推动曹盖面具视觉形象的多元化展演;通过与文创产业的关联,本研究为曹盖面具视觉符号语义的数字孪生和数字文化资产的创新应用提供协同场景与关联链路。 展开更多
关键词 AI图像生成技术 Stable diffusion 风格迁移 曹盖面具 服饰设计
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Grafting sulfonated triptycene-based hypercrosslinked polymers onto Bi_(2)WO_(6) for enhanced adsorption and photoelimination of antibiotics
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作者 Yingxue Zhang Wanjun Xu +6 位作者 Xiao Yang Shihong Dong Najun Li Qingfeng Xu Hua Li Jianmei Lu Dongyun Chen 《Green Energy & Environment》 2026年第1期224-235,共12页
Antibiotics,as an emerging pollutant due to their extensive use and difficulty in biodegradation,can cause harm to health through bioaccumulation.To address this,various photocatalysts have been developed for rapid an... Antibiotics,as an emerging pollutant due to their extensive use and difficulty in biodegradation,can cause harm to health through bioaccumulation.To address this,various photocatalysts have been developed for rapid antibiotic removal.However,their low concentrations limit mass transfer efficiency,resulting in suboptimal performance.Adsorption is crucial for enhancing photocatalytic efficiency.In this study,a series of binary heterojunction catalysts(x%BWO@STHP)were synthesized,consisting of Bi_(2)WO_(6)(BWO)grafted with sulfonated triptycene-based hypercrosslinked polymer(STHP).The high specific surface area of STHP,combined withπ-πconjugation and ionic interactions with antibiotics,significantly enhances adsorption capacity.This facilitates effective contact between low-concentration pollutants in aqueous solutions and the active sites of the catalyst.The formation of a Z-scheme heterojunction between BWO and STHP facilitates photogenerated charge separation,and further significantly improves photocatalytic degradation performance.Specifically,the 20%BWO@STHP catalyst achieved rapid adsorption equilibrium for oxytetracycline(OTC),doxycycline(DOX),and tetracycline(TC)within 2 min and completely degraded them after 15 min of irradiation.Compared to pristine BWO,the photocatalytic reaction rate constants are significantly increased,being 9.69 times higher for OTC and 13.45 times higher for DOX.The catalyst exhibits excellent reusability and holds promising potential for practical applications. 展开更多
关键词 Photocatalytic adsorption Hypercrosslinked polymers ANTIBIOTICS
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Particle-scale mass transfer characteristics of composite microspheres for cesium ion adsorption in nuclear wastewater within microchannel adsorbers
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作者 Hongjing Dai Ziyi Bo +2 位作者 Sifang Wang Shengyang Tao Xuehu Ma 《Chinese Journal of Chemical Engineering》 2026年第1期70-82,共13页
To efficiently remove radioactive nuclides from nuclear industry wastewater and minimize the generation of radioactive secondary waste,this study proposes the concept of a magnetically controlled microchannel adsorber... To efficiently remove radioactive nuclides from nuclear industry wastewater and minimize the generation of radioactive secondary waste,this study proposes the concept of a magnetically controlled microchannel adsorber based on magnetic adsorbents.A novel protocol for achieving high adsorption performance in microchannel adsorbers with periodically distributed particles is developed using the particle-resolved computational fluid dynamics (CFD) method,which addresses the limitations of traditional porous media flow models.To align simulation results more closely with practical scenarios,a typical high-efficiency magnetic adsorbent,magnetic sodium alginate/cobalt-based Prussian blue (M-SA/PB-Co),was synthesized.The M-SA/PB-Co microspheres exhibit a uniform size distribution (300–600 μm),and their Cs^(+) adsorption follows the pseudo-second-order kinetic model with a Langmuir saturated adsorption capacity of 124.84 mg·g^(-1).The performance parameters of M-SA/PB-Co,obtained from characterization and adsorption experiments,were integrated into CFD simulations.CFD results indicate that as the flow velocity increases,the flow field gradually transitions with vortices expanding in scale and streamline bifurcation points shifting rearward.The Cs^(+) concentration decreases progressively along the flow direction,with a more pronounced reduction in the vortex regions downstream of particles.The characteristic velocity and characteristic concentration of specific regions surrounding the particles were extracted based on boundary layer distribution.The amount of concentration reduction of Cs^(+) through particle is positively correlated with the characteristic concentration and negatively correlated with the characteristic velocity.The number of microspheres required in the microchannel adsorber was optimized using the response surface method.Compared with industrial fixed-bed adsorbers,microchannel adsorbers exhibit 8–10 times higher processing capacity,demonstrating significant industrial application potential. 展开更多
关键词 MICROSPHERES MICROCHANNEL adsorption CFD Nuclear wastewater
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Study on the Adsorption Properties of Sodium Alginate-Modified Polyacrylic Acid Composite Hydrogel for Heavy Metal Cu^(2+) in Aqueous Solution
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作者 Hui Fan Xinqiang Li 《Journal of Polymer Materials》 2026年第1期235-253,共19页
To meet the needs of the treatment of Cu^(2+)pollution in aqueous solution,the sodium alginate-modified polyacrylic acid(PAA/SA)composite hydrogel was prepared by solution polymerization with acrylic acid(AA)as monome... To meet the needs of the treatment of Cu^(2+)pollution in aqueous solution,the sodium alginate-modified polyacrylic acid(PAA/SA)composite hydrogel was prepared by solution polymerization with acrylic acid(AA)as monomer,sodium alginate(SA)as filler,N,N’-methylenebisacrylamide(MBA)as crosslinking agent,and potassium persulfate(K2S2O8)as initiator.The characterization results showed that the introduction of SA significantly improved the physical and chemical properties of PAA hydrogel materials.Scanning electron microscopy(SEM)showed that as the SA content increased,the materials gradually evolved from a dense blocky structure to a porous network.When the SA content was 10 wt%,it exhibited a fragmented layered morphology.The Brunauer Emmett Teller(BET)showed that the specific surface area reached 37.65 m2/g and the porosity increased to 12.47%.Fourier transform infrared(FTIR)spectroscopy confirmed that SA was successfully embedded into the PAA network through hydrogen bonding and ion crosslinking,and the carboxyl vibration peak shifted from 2378 to 2352 cm^(-1).Mechanical tests showed that at 10 wt%SA,the maximum stress was 13.1 kPa.The adsorption experiment showed that the equilibrium adsorption capacity of the PAA/SA hydrogel for Cu^(2+)was 11.03 mg/g,with an adsorption efficiency of 42.65%.Dynamics studies showed that the adsorption process follows a first-order kinetic model(R2=0.986-0.997),indicating a physical adsorption mechanism dominated by liquid film diffusion.Theoptimal process conditions were found to be a dosage of 1.5 g/L,and the effect of temperature on adsorption was limited.The material maintained 67.4%of its initial adsorption capacity after six adsorption-desorption cycles.These parameters are generally superior to those of similar materials reported in the literature,indicating broad application prospects.Such a kinetic and isotherm model resulted from the combined effects of functional groups,electrostatic attraction,and chelation.In practical applications,pH,ionic strength,and competing ions will affect the adsorption performance of PAA/SA composite hydrogels. 展开更多
关键词 Polyacrylic acid(PAA)hydrogel sodiumalginate(SA) solution polymerization copper ions adsorption kinetics adsorption isotherm
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A closed-loop strategy for ciprofloxacin adsorption and degradation by acetic acid/H_(2)O_(2) modified biochar
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作者 Feiyue Shen Shuyan Liu +7 位作者 Zhanglin Liu Jiangtao Wei Mei Huang Jinsong He Yanzong Zhang Jinguang Hu Dong Tian Fei Shen 《Chinese Journal of Chemical Engineering》 2026年第1期314-323,共10页
Economical and sustainable wastewater treatment techniques are highly demanded to alleviate the issues of clearwater scarcity globally.In this work,the acetic acid/H_(2)O_(2) (AHP) was leveraged to enrich oxygenated f... Economical and sustainable wastewater treatment techniques are highly demanded to alleviate the issues of clearwater scarcity globally.In this work,the acetic acid/H_(2)O_(2) (AHP) was leveraged to enrich oxygenated functional groups on the biochar surface for efficient ciprofloxacin (CIP) adsorption and biochar regeneration (In situ degradation of CIP in the spent AHP solution).The AHP-modified biochar exhibited significantly enhanced CIP adsorption capacity,about 22 times that of the pristine biochar.The optimized modification condition (acetic acid/H_(2)O_(2):2.11,temperature:45 ℃,and time:12 h) was screened by the response surface method,reaching the highest CIP adsorption capacity of 86.26 mg·g^(−1).Characterization results revealed that the content of carboxyl —C=O—O was enhanced in AHP-modified biochar,which contributed to efficient CIP adsorption by the electrostatic interaction,hydrogen bonding,and hydrophobic interaction.The adsorption of modified biochar to CIP molecules was a spontaneous endothermic process,and in line with the pseudo-second-order model and the Langmuir isotherm model.Moreover,the biochar modification process enabled the spent AHP solution with a strong oxidizing agent of peracetic acid (PAA),which can be employed to degrade adsorbed CIP for biochar in-situ generation.This work tailored a closed-loop strategy for biochar oxidation,contaminant adsorption,and biochar regeneration,highlighting a viable route for sustainable wastewater treatment. 展开更多
关键词 BIOCHAR CIPROFLOXACIN Oxidative modification adsorption REGENERATION
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Adsorption of flubendiamide (pesticide) onto chitosan-modified magnetic biochar in environmental remediation
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作者 Hong-Hue Thi Nguyen Yong-Ho Choi +2 位作者 Yong-Hoon Jeong Jong-Guk Kim Dong-Heui Kwak 《Chinese Journal of Chemical Engineering》 2026年第1期93-101,共9页
Flubendiamide is a commonly used pesticide with low water solubility and a high organic carbon sorption constant,causing it to adhere to soil particles and negatively impact soil ecosystems.First,chili plant stems,typ... Flubendiamide is a commonly used pesticide with low water solubility and a high organic carbon sorption constant,causing it to adhere to soil particles and negatively impact soil ecosystems.First,chili plant stems,typically discarded after the harvest season,represent an abundant local biomass resource with significant potential for utilization,and were converted into biochar through pyrolysis.Here,we describe the synthesis of biochar modified with iron and chitosan to increase the diversity of functions and surface functional groups of biochar.The resulting chitosan-modified magnetic biochar(CMBC)presents a full range of functional groups of chitosan and iron oxide as shown by Fourier-transform infrared spectroscopy.The correlation between flubendiamide concentration and the dose of biochar on adsorption was explored.The flubendiamide adsorption efficiency of CMBC(1%mass ratio of soil)reached 68.03%in 90 min.The highest adsorption capacity achieved was 0.95 mg·g^(−1).The flubendiamide adsorption mechanism by CMBC can be described with a pseudo-second-order kinetic model.The experiment data closely fit a Freundlich isotherm model(R^(2)=0.998),and the low residual sum of squares values demonstrate the high model applicability.In this study,we present a comprehensive overview of pesticides,alongside kinetic and isotherm model studies of flubendiamide adsorption by CMBC.We emphasize the potential of modified biochar to enhance environmental remediation applications. 展开更多
关键词 adsorption Biomass CHITOSAN Modified biochar PESTICIDE Waste treatment
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Efficient removal of diclofenac sodium from water by chitosan/microcrystalline cellulose@polyethyleneimine hydrogel beads:Adsorption performance and mechanism study
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作者 Hongyu Wang Henglin Xiao +7 位作者 Yi Xie Xibei Tan Wenbin Guo Lu Li Rongfan Chen Bin Wang Mingfei Wang Dao Zhou 《Journal of Environmental Sciences》 2026年第1期480-489,共10页
In this study,chitosan(CS)was combined with microcrystalline cellulose(MCC)to fabricate composite hydrogel beads.These beads were further modified through blending and grafting with polyethyleneimine(PEI)to develop ch... In this study,chitosan(CS)was combined with microcrystalline cellulose(MCC)to fabricate composite hydrogel beads.These beads were further modified through blending and grafting with polyethyleneimine(PEI)to develop chitosan/microcrystalline cellulose@polyethyleneimine(CS/MCC@PEI)composite gel spheres for the efficient adsorption of diclofenac sodium(DS)from aqueous solutions.The adsorbent was characterized using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier-transform infrared spectroscopy(FTIR),X-ray pho-toelectron spectroscopy(XPS),and thermogravimetric analysis(TGA).The CS/MCC@PEI composite exhibited a spherical morphology with a porous structure,abundant surface functional groups,and a high adsorption capac-ity of 274.84 mg/g for DS.Kinetic studies revealed that the adsorption process followed the pseudo-second-order model,dominated by physical adsorption,with both surface and internal diffusion influencing the adsorption rate.The Freundlich isotherm model best described the adsorption behavior,indicating multilayer adsorption on heterogeneous surfaces.Environmental adaptability tests demonstrated minimal interference from co-existing anions and humic acid,while regeneration experiments confirmed excellent reusability(>77%removal after five cycles).The adsorption mechanism involved electrostatic interactions and hydrogen bonding between the hydroxyl/amino groups of the composite and DS.These findings highlight the potential of CS/MCC@PEI as a cost-effective and sustainable adsorbent for DS removal from water. 展开更多
关键词 adsorption CHITOSAN Microcrystalline cellulose Diclofenac sodium Hdrogen bonding
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A Trajectory-Guided Diffusion Model for Consistent and Realistic Video Synthesis in Autonomous Driving
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作者 Beike Yu Dafang Wang 《Computer Modeling in Engineering & Sciences》 2026年第1期1075-1091,共17页
Scalable simulation leveraging real-world data plays an essential role in advancing autonomous driving,owing to its efficiency and applicability in both training and evaluating algorithms.Consequently,there has been i... Scalable simulation leveraging real-world data plays an essential role in advancing autonomous driving,owing to its efficiency and applicability in both training and evaluating algorithms.Consequently,there has been increasing attention on generating highly realistic and consistent driving videos,particularly those involving viewpoint changes guided by the control commands or trajectories of ego vehicles.However,current reconstruction approaches,such as Neural Radiance Fields and 3D Gaussian Splatting,frequently suffer from limited generalization and depend on substantial input data.Meanwhile,2D generative models,though capable of producing unknown scenes,still have room for improvement in terms of coherence and visual realism.To overcome these challenges,we introduce GenScene,a world model that synthesizes front-view driving videos conditioned on trajectories.A new temporal module is presented to improve video consistency by extracting the global context of each frame,calculating relationships of frames using these global representations,and fusing frame contexts accordingly.Moreover,we propose an innovative attention mechanism that computes relations of pixels within each frame and pixels in the corresponding window range of the initial frame.Extensive experiments show that our approach surpasses various state-of-the-art models in driving video generation,and the introduced modules contribute significantly to model performance.This work establishes a new paradigm for goal-oriented video synthesis in autonomous driving,which facilitates on-demand simulation to expedite algorithm development. 展开更多
关键词 Video generation autonomous vehicle diffusion model TRAJECTORY
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Adsorption properties of ammonium dibutyl dithiophosphate on argentite and sphalerite surface in pulp containing silver and zinc ions
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作者 Ting-sheng QIU Kai-wei DING +4 位作者 Guan-fei ZHAO Guo-dong LI Wen-hui YANG Hao CHENG Shun-de YAN 《Transactions of Nonferrous Metals Society of China》 2026年第1期273-286,共14页
The flotation separation of argentite from sphalerite using ammonium dibutyl dithiophosphate(ADD)was studied.Molecular simulation(MS)calculation shows that ADD is chemisorbed on argentite and sphalerite surface in the... The flotation separation of argentite from sphalerite using ammonium dibutyl dithiophosphate(ADD)was studied.Molecular simulation(MS)calculation shows that ADD is chemisorbed on argentite and sphalerite surface in the form of S—P bond.The ADD adsorption on argentite and sphalerite surface in Ag^(+)system was revealed by ICP,Zeta potential and XPS analyses.It is shown that the dissolved Ag^(+)from argentite surface can be absorbed on sphalerite surface in the form of silver hydroxide,and AgOH hydrophilic colloid prevents the adsorption of ADD on sphalerite surface.The ADD adsorption on argentite and sphalerite surface in the pulp containing silver and zinc ions was revealed by adsorption capacity and surface wettability analyses.It is shown that the combined Zn(OH)_(2) and AgOH hydrophilic colloid leads to greater ADD adsorption capacity on argentite surface and stronger surface hydrophobicity than sphalerite.Flotation tests demonstrate that ADD enables efficient separation of argentite from sphalerite in the pulp containing silver and zinc ions. 展开更多
关键词 argentite SPHALERITE ammonium dibutyl dithiophosphate silver ions adsorption
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Tannin-derived sulfur-doped carbon with tunable porosity and dilated interlayer spacing for reversible Na-ion diffusion
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作者 Yu Su Jinbo Hu +6 位作者 Laiqiang Xu Xinwen Jiang Gonggang Liu Yuanjuan Bai Yuanyuan Liao Shanshan Chang Xiaowei Cheng 《Chinese Chemical Letters》 2026年第2期617-623,共7页
Hard carbon(HC)in sodium-ion batteries is searched by numerous investigations,which can offer the excellent performance of reversible Na^(+)insertion and extraction.The covalent heteroatom doping in HC is recently wor... Hard carbon(HC)in sodium-ion batteries is searched by numerous investigations,which can offer the excellent performance of reversible Na^(+)insertion and extraction.The covalent heteroatom doping in HC is recently worth concentrating,which can dilate the interlayer spacing of graphite to adjust the electrochemical storage performance in carbon anodes.However,the reported doping strategies of the modified HC have only resulted in limited improvement,especially unobvious effects on tuning porous structure.In this study,tannin extract and K_(2)SO_(4) are respectively utilized as carbon source and sulfur source for the fabrication of HC,in which K_(2)SO_(4) can contribute to the heteroatom doping,and the pore forming as well.The tannin-derived sulfur-doped carbon anode shows the excellent cycle stability,achieving a high reversible capacity of 520.5 mAh/g at a current density of 100 mA/g.Even after 500 cycles at a current density of 3 A/g,a high specific capacity of 236.7 mAh/g and a capacity retention rate of 92.6%can be reserved.Compared with the initial carbon,the adsorption energy of Na^(+)is multifold times higher,whereas Na^(+)diffusion energy barriers manyfold decrease.Moreover,the full battery assembled with Na_(3)V_(2)(PO_(4))_(3)/tannin-based HC demonstrates a stable cycling performance.This work can manifest the potentiality of the tannin-based electrode as anode for a high-performance sodium-ion batteries(SIBs),which could especially offer an explanation of Na^(+)storage and solid-electrolyte interface(SEI)stability to the electrochemical performance. 展开更多
关键词 Sulfur doping Tannin-derived carbon Sodium-ion diffusion SEI DFT
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Adsorption capacity of single and twin-tailed cationic and anionic surfactant-modified chitosan hydrogel beads for PAH removal from aqueous solutions
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作者 Hina Kouser Qadri Showkat Rashid +3 位作者 Arjumund Shaheen Firdaus Ahmad Ahanger Sohail Amin Malik Aijaz Ahmad Dar 《Journal of Environmental Sciences》 2026年第1期512-522,共11页
This study presents a thorough investigation into the use of single and twin-tailed cationic and anionic surfactant-modified chitosan(SMCS)hydrogel beads as effective adsorbents for the elimination of hazardous polycy... This study presents a thorough investigation into the use of single and twin-tailed cationic and anionic surfactant-modified chitosan(SMCS)hydrogel beads as effective adsorbents for the elimination of hazardous polycyclic aromatic hydrocarbons(PAHs)from aqueous solutions.The Chitosan(CS)hydrogel beads were modified with single/twin-tailed anionic surfactants,sodium dodecyl sulfate(SDS)and sodium bis(2-ethylhexyl)sulfosuccinate(AOT),and cationic surfactants,dodecyltrimethylammonium bromide(DTAB)and didodecyldimethylammonium bromide(DDAB),to enhance their adsorption capacity of PAHs.The CS and SMCS beads were evaluated for their structural,mechanical,and adsorption properties using a range of techniques,including infrared spectroscopy(IR),energy-dispersive X-ray spectroscopy(EDX),rheometry,and field emission scanning electron microscopy(FESEM).Adsorption experiments of naphthalene(Nap),acenaphthene(Ace),and phenanthrene(Phe)on SMCS beads demonstrate that they have significantly higher adsorption capacities than CS beads,due to increase in hydrophobic interactions.Adsorption capacity followed the trend,Phen>Ace>Nap for all the beads revealing that twin-tailed SMCS bead possess much higher adsorption capacities(Qmax)compared to single-tailed SMCS beads.For twin tailed surfactants,the maximum adsorption capacities for Nap,Ace and Phe varied as CS-AOT(CS-DDAB):430.0(323.8)611.60(538.18)633.39(536.99)mg/g respectively,outperforming other reported hydrogel beads.The study highlights the simplicity,eco-friendliness,and enhanced performance of surfactant modification for developing high-efficiency adsorbents,paving the way for cost-effective solutions in water re-mediation. 展开更多
关键词 Hydrogel CHITOSAN SURFACTANT Polycyclic aromatic hydrocarbons(PAHs) adsorption
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Root nodule-assisted activation for the preparation of micropore-graded porous carbon for VOC adsorption
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作者 Longfei Xie Liwen Lu +7 位作者 Shiyi Wang Xiaojing Sun Yujing Ji Yuqing Chen Weixiao Peng Miao Yu Haomin Huang Daiqi Ye 《Journal of Environmental Sciences》 2026年第1期210-220,共11页
In order to address the evolving emission characteristics of oxygenated volatile organic compounds(OVOCs),it is essential to develop adsorbent materials specifically designed for the efficient adsorption of OVOCs with... In order to address the evolving emission characteristics of oxygenated volatile organic compounds(OVOCs),it is essential to develop adsorbent materials specifically designed for the efficient adsorption of OVOCs with large kinetic diameters.In this study,we used co-pyrolysis to prepare a series of graded porous carbon materials with well-developed micropores by adjusting the doping ratios of root nodules and pretreated cellulose.The material with root nodule to cellulose mass ratio of 1:1(TCC-RN-1)exhibited the highest saturated adsorption capacity for butyl acetate(834 mg/g).This can be attributed to enhanced pore size distribution from nodule doping,which facilitates the development of a micropore-graded structure.Additionally,the nodules acted as auxiliary activating agents that enhanced the KOH micropore regulation effect during the activation stage,resulting in the highest micropore volume(0.863 cm^(3)/g).The doping of root nodules facilitated the formation of additional defects on the surface of the porous carbon material,leading to a more disordered arrangement that improved pollutant adsorption.Furthermore,TCC-RN-1 demonstrated good thermal stability in an air atmosphere,main-taining a butyl acetate adsorption capacity exceeding 95%after five adsorption-desorption cycles.This indicates its favorable potential for industrial applications. 展开更多
关键词 Root nodules Butyl acetate adsorption CO-PYROLYSIS Nitrogen transformation Micropore-graded
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