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Development and optimization of lithium-ion sieves through machine learning in complex brine systems

Separation and Purification technology 2025年 374卷

作者： Birong Yan Yimin Shi Shengkai Liu Wei Wang Zhichen Ba Huiling Li Jing Wang Zefang Xiao Tai Peng Daxin Liang Yanjun Xie Key Laboratory of Bio-based Material Science and Technology Ministry of Education Northeast Forestry University Harbin 150040 PR China State Key Laboratory of Urban Water Resource and Environment Harbin Institute of Technology Harbin 150090 PR China School of Materials Science and Engineering Jiamusi University Jiamusi 154007 PR China

Lithium ion sieves and their composite materials show great potential in lithium extraction due to their high selectivity and adsorption capacity. However, their performance varies significantly under different conditions due to complex ion interactions and environmental factors, making process optimization challenging with traditional experimental methods. A comprehensive machine learning approach was developed using 12 key material and environmental parameters to predict lithium-ion sieves adsorption performance. Among nine machine learning methods evaluated, the optimized XGBoost model demonstrated superior predictive capability (R 2 = 0.9736 for training, R 2 = 0.8916 for testing) in handling the inherent nonlinearity of adsorption systems. SHapley Additive exPlanations analysis revealed the dominant influence of environmental parameters on adsorption behavior, providing mechanistic insights into the adsorption process. The reliability of the model was validated through 56 independent experiments with three different composite adsorbents (R 2 = 0.7696). A Python-based prediction system was developed for rapid performance assessment. This data-driven strategy establishes a rational framework for optimizing process parameters and developing materials, thereby advancing the industrialization of sustainable lithium extraction technologies.

关键词： Molecular sieves

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Synergistic reinforcement of PVA films with boric acid and nano-silica for high-barrier food packaging

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Polymer Testing 2025年 150卷

作者： Xinyu Xu Siqi Xie Baoying Shi Di Wu Yu Lin Qiaohui Zhi Yufeng Wang Haiyan Song State Key Laboratory of Bio-based Fiber Materials Tianjin University of Science and Technology Tianjin 300457 China Tianjin Tianshi College Tianjin 301700 China Hebei Beiren New Material Technology Co. LTD Xingtai 055150 China

The increasing environmental crisis caused by the extensive use of disposable plastics highlights the pressing demand for sustainable options. This research investigates an innovative method for enhancing the traits of polyvinyl alcohol (PVA) through the addition of boric acid (BA) as a crosslinking agent, along with γ-aminopropyl triethoxysilane modified nano-silica (NS) to refine the polymer matrix. The research focuses on the PVA/BA/NS composite film, examining its chemical structure, surface morphology, thermal stability, mechanical strength, gas barrier properties, surface wettability and UV-blocking ability. The results demonstrate that the overall performance of the composite film is significantly enhanced through the synergistic effects of boric acid (BA) and NS, achieved via crosslinking, nanofiller reinforcement, and structural optimization. The PVA/BA/NS composite films shown notable improvements in oxygen, water vapor barrier qualities, and mechanical strength. Furthermore, the addition of nano-silica greatly improved the films' surface hydrophobic qualities, improving their suitability for food packaging. Notably, the tensile resistance of the composite film improved by about 60 % relative to the PVA film, exceeding the findings of comparable research. Additionally, oxygen barrier performance improved by approximately 68 %, highlighting a significant enhancement. Furthermore, it was noteworthy that UV-blocking ability of the composite film had also been markedly enhanced. These improvements are essential for developing food packaging materials that offer better protection and longer shelf life for perishable products, while maintaining quality and safety for consumers. The results convincingly indicate that the environmentally friendly composite films created in this research possess considerable promise for use in food packaging applications.

关键词： Polyvinyl alcohol Boric acid Nano-silica Composite film Food packaging

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Flexible Si/Pedot:Pss Heterojunction Photodetectors with Excellent Interface Contact Quality for Nir Detection

SSRN

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SSRN 2023年

作者： Chen, Jianian Shen, Honglie Li, Yufang Yue, Zhen Li, Hechao Wang, Chen Xu, Yajun Zhang, Jingzhe Bai, Hang College of Materials Science and Technology Jiangsu Key Laboratory of Materials and Technology for Energy Conversion Nanjing University of Aeronautics and Astronautics Nanjing210016 China Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering Changzhou University Changzhou213164 China Jiangxi HAC General Semitech Co. Ltd Jiujiang332001 China Jiangsu Key Lab of Silicon Based Electronic Materials Jiangsu GCL Silicon Material Technology Development Co. Ltd. Xuzhou221000 China

Flexible Si/PEDOTPSS heterojunction photodetectors have gained widespread attention due to their excellent performance and low preparation cost, however, the presence of defects on the Si surface that generate surface states and the poor hydrophilicity of PEDOT:PSS that leads to poor contact between Si and PEDOT:PSS have been limiting the performance of the devices;In this study, an inverted pyramidal structure Si substrate with the smaller specific surface area was selected and the Si to PEDOT:PSS interface quality was improved by doping the PEDOT:PSS solution with the fluorosurfactant FC4430 and vinyltrimethoxysilane (VTMO). It was found that the doping of fluorosurfactant FC4430 could reduce the contact angle of PEDOT:PSS solution on IP substrate from 104.5° to 23°, which greatly enhanced the hydrophilicity of PEDOT:PSS without affecting the electrical properties of the films. The doping of VTMO forms Si-O-Si bonds at the Si/PEDOT:PSS interface, which passivates the defects on the silicon surface and at the same time forms a cross-linking network to improve the adhesion of the PEDOT:PSS, which enables the device to exhibit an extremely low dark current of 4.08 × 10-8 mA. Meanwhile, the prepared flexible Si/PEDOT:PSS photodetector exhibits excellent performance, with a responsivity of 8.74 mA/W, a detectivity of 1.21 × 1012 Jones, and a response speed of 120/480 μs under 0 V bias voltage and laser irradiation at a wavelength of 980 nm. Finally, the bending stability of the device was evaluated and the device performance remained above 95% of the initial value after 50 bending cycles. © 2023, The Authors. All rights reserved.

关键词： Hydrophilicity

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Pelletization property analysis of raw and torrefied corn stalks for industrial application to achieve agricultural waste conversion

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Energy 2023年 285卷

作者： Zhang, Congyu Chen, Wei-Hsin Ho, Shih-Hsin Park, Young-Kwon Wang, Chengyu Zhang, Ying School of Resources and Environment Northeast Agricultural University Harbin150030 China Department of Aeronautics and Astronautics National Cheng Kung University Tainan701 Taiwan Research Center for Smart Sustainable Circular Economy Tunghai University Taichung407 Taiwan Department of Mechanical Engineering National Chin-Yi University of Technology Taichung411 Taiwan State Key Laboratory of Urban Water Resource and Environment School of Environment Harbin Institute of Technology Harbin China School of Environmental Engineering University of Seoul Seoul02504 Korea Republic of Key Laboratory of Bio-Based Material Science and Technology of Ministry of Education Northeast Forestry University Harbin150040 China

Agricultural waste conversion is of great concern to achieve modernization and industrial development and thus leads to a greener route for a sustainable and circular economy. The treatment of corn stalk for pellet production to realize industrial application is implemented, which is conducive to upgrading fuel properties with better storage and transportation characteristics. The obtained results indicate that torrefaction operation is helpful for pellet density enhancement, with a value of up to larger than 0.74 g cm−3. However, the wear strength and hardness are not good enough compared to raw corn stalk, with values of 4.5–7.5 % and 88 kN–92 kN, respectively. A longer compression duration contributes to a greater work condition and higher relative HHV, which is conducive to energy efficiency improvement. To further evaluate the hygroscopicity and moisture resistance capacity of pelletized corn stalk for fuel properties evaluation, the equilibrium moisture content and contact angle reflect that the enhancement of pressure and compression duration are beneficial for moisture resistance capacity improvement, with the values of less than 3.5 % and higher than 130°. When considering the fuel properties and pelletization cost, compromising on operation conditions should be adopted for optimal operation. © 2023 Elsevier Ltd

关键词： Contact angle

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Boosted Photocatalytic Co2 Reduction by Induced Electromotive Force in Rotating Magnetic Field

SSRN

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SSRN 2023年

作者： Lu, Danchen Ren, Yuqi Yang, Ya Cheng, Miao Wang, Ke Wang, Nan Liu, Maochang Zhou, Jiancheng Chen, Wenshuai Li, Naixu School of Chemistry and Chemical Engineering Southeast University No.2 Dongnandaxue Road Jiangsu Nanjing211189 China CAS Center for Excellence in Nanoscience Beijing Key Laboratory of Micro-nano Energy and Sensor Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of Sciences Beijing101400 China Key Laboratory of Bio-Based Material Science and Technology Ministry of Education Northeast Forestry University No. 26 Hexing Road Harbin150040 China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No.28 Xianning West Road Shaanxi Xi'An710049 China

Charge separation plays a crucial role in semiconductor-based photocatalytic CO2 conversion. Herein, we report a unique induced electric field, which can actively manipulate carrier behavior at the minuscule, leading to significantly boosted photocatalytic CO2 reduction in H2O vapor. The success relies on the development a monolithic photocatalyst made of a copper foam substrate and nanosized ZnO/NiO/Au heterostructures that can effectively couple a special rotating magnetic field (RMF). Specifically, the copper foam cuts the magnetic induction line, leading to the periodic generation of induced electric field. This induced electric field could significantly increase the carriers' density by preventing their recombination. Moreover, NiO and Au as the active sites for oxidation and reduction, respective, synergistically magnify this effect. As a result, compared with the photocatalytic reaction without adding RMF, the utilization rate of photogenerated electrons increases by 5.24 times after coupling RMF, with the yield of CO and CH4 improved by 5.50 times and 5.18 times. This strategy by integrating unique RMF into the reaction system provides new insights for improving photocatalytic CO2 conversion. © 2023, The Authors. All rights reserved.

关键词： Carbon dioxide

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Effect of Adsorption of ZrO2 in Catalysts on the Efficiency of Hydrolysis of Cellulose to Sugar in Aqueous System under Microwave Radiation

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Chinese Journal of Chemistry 2020年第4期38卷 399-405页

作者： Ying Qiao Lixin Feng Zhongqiu Li Zhenyu Zhang Jing Chen Haining Na Jin Zhu Lai Chen Department of Polymer College of Material Science and EngineeringShanghai UniversityShanghai 200444Chino Key Laboratory of Bio-based Polymeric Materials of Zhejiang Province Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingboZhejiang 315201China Chemical College Shijiazhuang UniversityShijiazhuangHebei 050035Chino Hebei Building Ceramics Engineering Research Center Shijiazhuang UniversityShijiazhuangHebei 050035Chino

Summary of main observation and conclusion Five types of ZrO2 are used to simply establish an effective aqueous catalytic system with sulfuric acid for the hydrolysis of cellulose to sugar,*** adjusting surface roughness and particle size of ZrO2 dfferent adsorption is ***,following the thought to inhibit the self-aggregation nature of cellulose,after the introduction of ZrO2 with adsorption in catalysts,the efficiency of the hydrolysis of cellulose to sugar is *** results show different ZrO2 can produce different effects during the hydrolysis of the cellulose with rela-tively low *** the optimal conditions,the conversion of cellulose and TRS yield reaches 95.5%and 93.6%,*** this re-search,it reveals the critical point to organize a feasible and useful way for the hydrolysis of cellulose to sugar with high efficiency in an aqueous *** important theoretical and technical support is also provided for the conversion and utiliation of cellulose in the future.

关键词： hydrolysis sugar adsorption

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Non-Carbonized Pd Single-Atom Catalyst Supported on Lignin-Functionalized Phenolic Resin for Potent Catalytic Transfer Hydrogenation of Lignin-Derived Aldehydes

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Angewandte Chemie 2025年

作者： Tairan Pang Zhenglong Xue Guanhua Wang Junkai Li Wenjie Sui Chuanling Si State Key Laboratory of Bio-based Fiber Materials Tianjin Key Laboratory of Pulp and Paper College of Light Industry Science and Engineering Tianjin University of Science and Technology Tianjin 300457 China State Key Laboratory of Food Nutrition and Safety College of Food Science and Engineering Tianjin University of Science and Technology Tianjin 300457 China

Single-atom catalysts (SACs) depend significantly on their support properties, and organic polymers have emerged as promising candidates due to their tunable physicochemical properties and diverse functional groups. However, the high-temperature carbonization commonly required for conventional organic polymer-supported SAC fabrication often leads to the loss of these functional groups, thus weakening metal-support interactions and catalytic performance accordingly. Herein, we report a sustainable strategy to synthesize nitrogen-functionalized lignin-based phenolic resin (N-LPR) supports for stabilizing atomically dispersed palladium (Pd) without carbonization. Using ammonia solution (NH 3 ·H 2 O) as both the nitrogen source and catalyst, high molecular weight lignin fractions (L3) were transformed into N-L3PR-50% supports with a unique nano-chain-like structure, high surface area, and abundant amine groups, which can directly anchor Pd sites under room temperature. The resulting Pd@N-L3PR-50% catalyst achieved approximately 100% vanillin conversion and 97.91% selectivity for 2-methoxy-4-methylphenol at 80 °C with excellent cycle stability and adaptability to lignin-derived aldehydes, benefiting from the stable Pd-N coordination and the good adsorption capacity provided by the N-L3PR-50% support. Consequently, this work not only demonstrates a straightforward non-carbonation strategy to prepare lignin-based SACs for potent biomass-derived chemical transformations but also provides a novel avenue for the application of conventional multifunctional organic polymers as support for SACs.

关键词： Catalytic transfer hydrogenation Lignin Lignin-derived aldehydes Phenolic resin Single-atom catalyst

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ZIF-8 modified wood-derived hierarchical porous carbon for polysulfide confinement in lithium-sulfur battery cathodes

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Journal of Power Sources 2025年 650卷

作者： Tao Zhang Xu Tang Bo Guan Chunmei Yang Jipeng Ge Xiaoyu Feng Siman Zhou Mengjiao Shi Wen Qu College of Mechanical and Electrical Engineering Northeast Forestry University Harbin 150040 China Laboratory of Bio-based Material Science and Technology of Ministry of Education Northeast Forestry University Harbin 150040 China

The development of lithium-sulfur batteries (LSBs) is significantly affected by the shuttle effect of lithium polysulfides (LiPSs). This study explores in-situ grown ZIF-8 on balsa wood as a biomass-derived material to address the challenges of LiPSs shuttle effect in LSBs. After carbonization, a wood-derived N-doped porous carbon composite (W-NPC) with a hierarchical porous structure and abundant adsorption sites is synthesized. The ZIF-8 achieved a high loading of 71 wt% on the balsa wood, significantly enhancing the specific surface area and LiPSs adsorption capability of the W-NPC. The high surface area and porosity of W-NPC provide sufficient void for sulfur loading. This property makes it an ideal candidate for LSBs cathodes. As an electrode material for LSBs, W-NPC delivers an initial capacity of 1370.3 mA h g −1 at 0.1 C, with a capacity retention of 89 % after 300 cycles at 0.2 C, while maintaining a Coulombic efficiency of 99.1 %. These properties demonstrate that W-NPC offers a scalable solution for LSB cathode applications.

关键词： Carbonization In-situ growth Lithium-sulfur battery Shuttle effect ZIF-8

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Corrigendum to “A semi-transparent polyurethane/porous wood composite polymer electrolyte for solid-state supercapacitor with high energy density and cycling stability” [Chem. Eng. J. 454 (2023)139954]

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Chemical Engineering Journal 2023年 467卷

作者： Pu Hou Chenxiang Gao Jian Wang Jiuzhou Zhang Yang Liu Jiyou Gu Pengfei Huo Material Science and Engineering College Northeast Forestry University Harbin 150040 China Key Laboratory of Bio-based Materials Science & Technology (Northeast Forestry University) Ministry of Education Harbin 150040 China

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biosynthesis of poly(3-hydroxybutyrate- co -lactate) using an NADH regeneration strategy in E. coli

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bioDesign Research 2025年

作者： Ju Wu Xuan Gong Pengye Guo Yanzhe Shang Yuanchan Luo Hui Wu State Key Laboratory of Bioreactor Engineering Shanghai Collaborative Innovation Center for Biomanufacturing Technology School of Biotechnology East China University of Science and Technology 130 Meilong Road Shanghai 200237 China MOE Key Laboratory of Bio-Intelligent Manufacturing School of Bioengineering Dalian University of Technology Dalian China Key Laboratory of Bio-based Material Engineering of China National Light Industry Council 130 Meilong Road Shanghai 200237 China

In this study, a platform was constructed for the efficient biosynthesis of a lactate-based copolymer using a phosphite dehydrogenase (PtxD)-based NADH regeneration strategy. PtxD catalyzes the conversion of phosphite to phosphate while reducing NAD + to NADH. The latter is an essential cofactor for lactate synthesis in Escherichia coli . This strategy allows the decoupling of NADH regeneration from carbon metabolism flow, providing sufficient NADH for lactate synthesis. Different concentrations of isopropyl β-d-1-thiogalactopyranoside (IPTG) were used to control the intensity of PtxD expression, and the lactate fraction in the copolymer synthesized by the engineered strain ranged from 6.2–16.7 mol%. The ptxD gene was integrated into the genome of strain WJPCTP-01, which successfully synthesized 3.24 g/L P(3HB- co -23.0 mol% LA) and 2.23 g/L P(3HB- co -39.0 mol% LA) using glucose and xylose as substrates, respectively, in shake flask cultures. In 5 L bioreactor fermentations, the titer of P(3HB- co -41.3 mol% LA) reached 8.57 g/L, with a synthesis rate of 0.12 g/L/h when xylose was used as a substrate. These findings indicate that the PtxD-based NADH regeneration strategy enhances lactate synthesis without any significant negative impact on bacterial growth or the synthesis of P(3HB- co -LA).

关键词： Escherichia coli Poly(3-hydroxybutyrate- co -lactate) Metabolic engineering Phosphite dehydrogenase (PtxD) NADH regeneration

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