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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2019 · IF 3.131

Structural parameters reduction in polyamide forward osmosis membranes via click modification of the polysulfone support

Jin Zhou,Heng-Li He,Fei Sun,Yu Su,Hai-Yin Yu,Jia-Shan Gu

To reduce the structural parameter of composite polyamide (PA) forward osmosis membrane , the support polysulfone (PSf) was prepared by blending PSf/PSf-g-methoxypolyethylene glycol (PSf/PSf-g-mPEG) with the mPEG weight molecular weights of 200, 500, 1000 and 1900 g/mol at the PSf/PSf-g-mPEG weight ratios of 4:1 and 9:1, respectively. The composite membranes were prepared as the following steps: (1) propargyl mPEGs preparation; (2) chloromethylation and azidation of PSf; (3) PSf-g-mPEG preparation via click chemistry; (4) PSf/PSf-g-mPEG blended support membrane preparation by phase separation; (5) polyamide active layer formation through interfacial polymerization between phenylenediamine and 1,3,5-benzenetricarbonyl trichloride on the support membrane. The successful synthesis of the polymers and preparation of the composite membranes were certified with Fourier transform infrared spectroscopy , nuclear magnetic resonance, X-ray photoelectron spectroscopy analysis, field emission scanning electron microscope and energy dispersive spectrometer. The pure water fluxes of the blended support membranes were sharply increased; the maximum pure water flux was gained for the PSf/PSf-g-mPEG500 blended membrane. For the composite polyamide (PA) membrane, the water flux was improved drastically, while the rejection to the salt remained unchanged in the reverse osmosis system; the pure water flux rose dramatically and the structure parameter ( S ) dropped significantly in the forward osmosis system.

研究领域: 材料科学 · 膜技术 · 化学工程
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JOURNAL OF MEMBRANE SCIENCE · 2022 · IF 10.53

A universal model for describing responsive performances of both positively and negatively responsive smart gating membranes

Fang Wang,Zhuang Liu,Lin-Bing Zou,Rui Xie,Xiao-Jie Ju,Wei Wang,Da-Wei Pan,Liang-Yin Chu

In this study, a universal model is developed for describing the responsive performances of both positively and negatively responsive smart gating membranes with structural and responsive parameters. The model is derived by assigning the membrane pore size change ratio before and after immobilizing responsive gates and the volume change coefficient as well as the stacking effect coefficient of responsive gates as independent dimensionless variables. The reliability and fitting precision of the proposed model have been validated by the experimental results of positively thermo-responsive and negatively Pb 2+ -responsive gating performances of smart gating membranes, which are prepared by immobilizing poly( N -isopropylmethacrylamide- co -4-acrylamidobenzo-18-crown-6) (PNMB) microgels in porous poly(ether sulfone) (PES) membranes as functional gates that exhibit both thermo-induced shrinking and Pb 2+ -induced swelling responsive characteristics. All the experimental data of both positively and negatively responsive gating performances of smart gating membranes fit well with the developed model. The proposed model provides new insights for describing and explaining the responsive gating performances of both positively and negatively responsive smart gating membranes, and offers rational guidelines for designing and fabricating smart gating membranes with desired responsive gating performances by predetermining the structural and responsive parameters of smart gates for various applications.

CAS / MDL: 2997-92-4
研究领域: 材料科学 · 化学工程
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JOURNAL OF MEMBRANE SCIENCE · 2020 · IF 7.183

Constructing substrate of low structural parameter by salt induction for high-performance TFC-FO membranes

Liang Shen,Xuan Zhang,Lian Tian,Zhou Li,Chun Ding,Ming Yi,Chao Han,Xi Yu,Yan Wang

Forward osmosis (FO) is a promising membrane-based technology for water treatment and desalination. But, internal concentration polarization (ICP), a unique phenomenon in FO, generally leads to the sharp performance decline. In this study, a novel polyacrylonitrile (PAN) substrate with low polymer concentration (4 wt%) of the thin-film composite (TFC) membrane with a low membrane structural parameter ( S ) is developed with sodium chloride (NaCl) aqueous solution as the coagulation bath, and exhibits high performance for FO applications. The existence of NaCl in the coagulation bath not only affects the phase inversion process significantly, resulting in the formation of a thin substrate with finely tuned morphology structure, but also benefits the formation of a uniform and defect-free top polyamide (PA) layer. Effects of NaCl content in the coagulation bath on the morphology and intrinsic properties of resulting PAN substrates, the formed PA layer, as well as the morphology and FO performance of resulting TFC membranes, are investigated systematically. Moreover, an extended study on cellulose acetate (CA) substrate is also conducted to study the universality of this salt induction method to fabricate high-performance TFC membranes. Compared to the control TFC membrane, modified TFC membranes show much lower S parameters and superior separation performance with the higher water flux (324% increment) and lower reverse salt flux (58% reduction).

CAS / MDL: 4422-95-1 108-45-2
研究领域: 环境科学 · 材料科学
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CHINESE JOURNAL OF CHEMISTRY · 2021 ·Vol. 40 ·期 4 ·507-514 · IF 6

Photo-stability and Photo-damage of SPASER Nanoparticles under Nanosecond Pulsed-laser

Jian-Hua Wang,Shao-Peng Wang,Pavel N. Melentiev,Bin Kang,Jing-Juan Xu,Hong-Yuan Chen

Comprehensive Summary SPASER nanoparticle (NP), with small size, ultranarrow spectral-line and good biocompatibility, is a potential biomedical nanoprobe. However, owning to the striking light absorption capacity of Au-resonator, huge energy could accumulate under strong pumping-laser, which would lead to poor photo-stability and unexpected photo-damage to SPASER NP, and is harmful to its future practical application but hasn't been systematically studied in experiment. In this paper, our experimental and theoretical researches revealed that the photo-stability of SPASER NP is largely determined by its structure parameters: smaller Au-core diameter, thicker silica-shell will contribute to better photo-stability. And the possibility and extent of photo-damage of SPASER NP depend on not only its intrinsic stability but also the external pumping-laser. Notably, the strong pumping condition for two-level SPASER system could lead to heating-melting-evaporation or even phase-explosion of SPASER NP, resulting in obvious photo-damage, while, the weak pumping condition for three-level SPASER system is quite friendly. This study provides reliable bases for the structural-properties optimization of SPASER NPs, which is of great significance for its future application as a novel luminescence probe.

研究领域: 生物医学 · 纳米技术 · 光学
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LAB ON A CHIP · 2022 ·Vol. 23 ·期 4 ·737-747 · IF 7.517

Study of the mechanism of embolism removal in xylem vessels by using microfluidic devices

Lihua Guo,Yuanchang Liu,Li Liu,Penghe Yin,Chong Liu,Jingmin Li

Determining the mechanism that effects embolism repair in the xylem vessels of plants is of great significance in predicting plant distribution and the screening of drought-resistant plants. However, the mechanism of perforation plates of xylem vessels in the acceleration of embolism repair is still not clear by using conventional methods of anatomy and visualization technology. Microfluidic devices have shown their ability to simulate physiological environments and conduct quantitative experiments. This work proposes a biomimetic microfluidic device to study the mechanism of perforation plates of xylem vessels in the acceleration of embolism repair. The results proffered that the perforation plates increase the rate of embolism removal by increasing the pressure differential through the vessel, and the rate of embolism removal is related to the structural parameters of the perforation plate. A combination of the perforation size, the vessel diameter and the perforation plate angle can be optimised to generate higher pressure differentials, which can accelerate the process of embolism repair. This work provides a new method for studying the mechanism of microstructures of natural plants. Furthermore, the mechanism that perforation plates accelerate embolism repair was applied to an electrochemical flow sensor for online determination of heavy metal ions. Test results of this application indicate that the mechanism can be applied in the engineering field to solve the problems of reduced sensitivity of devices, inaccuracy of analysis results and poor reaction performance caused by bubbles that are generated or introduced easily in microdevices, which paves the way for applying the theory to engineering.

研究领域: 植物生理学 · 生物仿生学 · 微流体技术 · 植物解剖学 · 环境胁迫响应
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CHEMISTRY OF MATERIALS · 2025 · IF 7

Screening High-Performance Hybrid Halides Scintillators: A Comprehensive Analysis and Prediction Model

Maxim Molokeev,Nicolay Golovnev,Andrey Zolotov,Shuai Zhang,Zhiguo Xia

Machine learning models were applied to predict the scintillation performances of organic–inorganic hybrid metal halides (OIMHs), focusing on their photoluminescent quantum yield (PLQY). Random Forest and Decision Tree algorithms identified the most critical structural parameter of organic molecules influencing the M···M distance between metal ions and correlated PLQY value, with an optimal distance of approximately 8 Å correlating with enhanced luminescence efficiency. This prediction was experimentally validated through the synthesis of several OIMH compounds, demonstrating strong agreement between predicted and measured PLQY values. The machine learning approach not only enabled the screening of efficient compounds but also deepened the understanding of how structural factors, such as the structure of organic molecules, govern scintillation properties. These findings underscore the potential of machine learning in accelerating the development of next-generation luminescent materials with improved performance, offering a powerful tool for future material design and optimization.

研究领域: 材料科学 · 光学 · 人工智能
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COMPUTERS AND GEOTECHNICS · 2024 · IF 5.3

Effects of Micropores on the Vapor Sorption Isotherm and Structural Parameters Characterization of Kaolinite

Yijie Wang,Liming Hu,Zhen-yu Yin

The vapor sorption isotherm (VSI) of soil serves as a basic tool in geotechnical engineering , widely employed for characterizing the structural parameters of soil. Micropores are commonly found in soil, significantly altering the VSI and impacting the characterization of structural parameters. Nonetheless, these micropores are often overlooked in relevant analyses. Moreover, the characterization process relies on the utilization of theoretical models to fit the VSI. However, the commonly used models are not designed for VSI, raising concerns about their reliability. To investigate the influence of micropores on VSI and assess the reliability of various characterization models, this study used molecular simulation techniques to generate VSIs for kaolinite samples with different pore sizes. The simulation results reveal the effects of pore size on VSI shape, shed light on the influence of soil surfaces on pore water density and orientation, and highlight the important role of hydrogen bonds in water retention within the kaolinite pores. Furthermore, the reliability of three structural parameter characterization models, namely BET, DR, and a s plot, was evaluated with the aid of the explicit geometric dimensions in molecular models, and the mechanisms responsible for their reliability were elucidated. This study deepens the understanding of VSI and provides crucial references for the characterization of soil structural parameters.

CAS / MDL: 1332-58-7
研究领域: 土壤科学 · 地质工程学
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Nanomaterials · 2024 · IF 4.4

Research on Electric Field Homogenization in Radial Multi-Nozzle Electrospinning

Jian Liu,Shoujun Dong,Chenghao Wang,Yanbo Liu,Shanshan Pan,Zhaosong Yin

Electrospinning is an effective method to prepare nanofibers at present. Aiming at problems such as low spinnable viscosity and the low productivity of the traditional multi-needle, a radial nozzle was proposed in this paper. In order to solve the problem of end effects in multi-nozzle electrospinning, COMSOL Multiphysics 6.0 software was used to simulate the electric field in electrospinning with seven radial nozzles. And the influence on the electric field intensity and distribution of the structural parameters of the radial nozzle, including the number, length, tip-shape, and tip-pointing direction of the vanes, were studied. Then, the electric field intensity of any point on the central axis of a radial nozzle was obtained based on the principle of electric field superposition, and then the rotation angle of the vanes corresponding to the minimum Coulomb repulsion force on the target point was deduced. At last, the method of electric field homogenization of a rotating vane arrangement was obtained. In the simulation, the strength and homogenization of the electric field were taken as the research objective, and the optimum structure parameters of the radial nozzle were obtained; the uniform theory of the electric field based on the orientation of the vanes was verified. Then, electrospinning with seven radial nozzles was performed, and it was found that each radial nozzle can produce multiple jets during electrospinning, and the prepared electrospun membranes have even thickness and high porosity. What is more, the fibers are relatively finer and more uniform.

CAS / MDL: 25014-41-9
研究领域: 材料科学 · 物理学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Quantitative assessment of structure-performance relationship of loose nanofiltration membranes with TA-MoS2 interlayer for effective dye/salt separation

Tingyan Deng,Zhen Cao,Fan Ni,Li Zhao,Fei Shen,Jianmei Zou,Yanzong Zhang,Yating Chen,Jinsong He

The novel strategy of thin-film nanocomposite loose nanofiltration (LNF) membranes incorporating an interlayer of nanomaterials has raised growing interests for the high-performance membrane design. Although the effects of membrane structure on separation performance have been elucidated for a long time, however, the quantitative structure-performance relationship of interlayer-based LNF membranes has not been established. In this study, we established the structure-performance relationship of TA-MoS 2 interlayer based LNF membranes from a quantitative level for the first time. The correlation heat map analysis identified four key structural parameters (e.g. selective layer thickness, crosslinking degree, water contact angle, and zeta potential) for water permeability as well as dye rejection, and three key structural parameters (e.g. selective layer thickness, crosslinking degree, and zeta potential) for salts rejection, respectively. Furthermore, the multiple linear regression analysis revealed the rigorous mathematic modeling of key structural parameters-separation performance relationships with all R 2 values above 0.899, and determined the contributions of each key structural parameter to the separation performance in a quantitative level. Finally, the optimal TA-MoS 2 interlayer based LNF membrane exhibited a high water permeability of 80.2 LMH·bar −1 , effective separation of dye/salts (rejection rate: congo red (99.0%), methyl blue (95.1%), Na 2 SO 4 (1.5%) and NaCl (0.5%)), good stability and antifouling properties (i.e. water flux recovery rate (FRR) of 96% for humic acid). This study can pave the way of quantitatively design of interlayer-based LNF membrane with targeted performance.

研究领域: 材料科学 · 环境工程
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Journal of Energy Storage · 2025 · IF 9.8

Equivalent thermal conductivity model and performance enhancement method for expanded graphite based composite phase change materials

Cuncun Qian,Ming-Jia Li

Low thermal conductivity is one of the main bottlenecks limiting the large-scale applications of phase change materials (PCMs) in thermal energy storage. This work focuses on expanded graphite (EG)based composite PCMs (cPCMs), developing a correlation between microstructural parameters and macroscopic properties via experimental testing and data fitting. A new equivalent thermal conductivity model, based on heterogeneous two-phase approach in equivalent media theory, is introduced for EG-based PCMs. This model not only predicts thermal conductivity with high accuracy but also enables active property control during cPCM preparation. To validate model, three types of EG-based cPCMs with different temperature ranges, EG contents, and molding densities were prepared and tested. The thermal properties closely align well with theoretical predictions, with a maximum error <11 % for EG content under 40 wt%. This validates effectiveness of model in enhancing material performance and provides insights into the micro-mechanisms. The proposed approach serves as a blueprint for developing similar models for other heterogeneous two-phase cPCMs.

研究领域: 材料科学 · 热能工程
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2023 · IF 11.4

Internal Concentration Polarization in the Polyamide Active Layer of Thin-Film Composite Membranes

Zongyao Zhou,Qun Wang,Yiwen Qin,Yunxia Hu

A free-standing polyamide (PA) film is fabricated via in situ release from a thin-film composite (TFC) membrane achieved through the removal of the polysulfone support. The structure parameter S of the PA film is measured to be 24.2 ± 12.6 μm, which is about 87-fold of its film thickness. A significant decline in water flux of the PA film from an ideal forward osmosis membrane is observed. We find that the decline is predominantly influenced by the internal concentration polarization (ICP) of the PA film based on our experimental measurements and theoretical calculations. We propose that the asymmetric hollow structures of the PA layer with dense crusts and cavities may be the underlying cause of the occurrence of the ICP. More importantly, the structure parameter of the PA film can be reduced and its ICP effect can be mitigated by tuning its structures with fewer and shorter cavities. Our results for the first time provide experimental evidence to prove that the PA layer of the TFC membrane has the ICP effect, which could potentially provide fundamental insights into the influence of structural properties of PA on the membrane separation performance.

CAS / MDL: 108-45-2
研究领域: 材料科学 · 膜分离技术
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MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING · 2025 · IF 4.6

Visible-near-infrared reflectance spectra of Cr2O3-based biomimetic leaves: A combined spectroscopic ellipsometry and first-principles study

Meng Zhao,Tianbao Zhao,Tao Cheng,Zihan Su,Jiayi Zheng,Zhiming Liu,Linhua Liu,Jia-Yue Yang

The quest for biomimetic materials that emulate the solar spectral response of green plants has garnered substantial attention. Herein, we combined density-functional theory with on-site Coulomb corrections and spectroscopic ellipsometry to obtain the complex dielectric functions of chromium oxide (Cr 2 O 3 ) pigment and polyurethane (PU) binder, respectively. Based on the Lorenz-Mie scattering theory and two-flux method considering anisotropic scattering, we systematically studied the regulatory mechanism of particle structural parameters on the reflectance spectrum of the biomimetic coating. The results show that optimizing the structural parameters of Cr 2 O 3 particles reproduces the canonical vegetation features in the visible-near-infrared region. Coating reflectance decreases monotonically with both increasing particle volume fraction and larger mean radius. Additionally, the slope of red edge can be independently tuned by the particle size distribution, i.e. a larger proportion of small particles steepens the red-edge slope. This study provides a theoretical basis and data support for further optimizing the similarity between biomimetic coatings and natural vegetation in terms of their hyperspectral images in the visible-near infrared spectral range.

CAS / MDL: 1308-38-9
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