CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
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2022
·
IF 2.004
Chenyang Xu,Jianliang Zhang,Zhengjian Liu,Anjun Xu,Yaozu Wang,Liming Ma,Chuanhui Li
In order to study the change of each phase and the influence of single oxide during the consolidation of pellets. A systematic thermodynamic calculation was carried out through the phase diagram to study the influence of five oxides (CaO, SiO 2 , Fe 2 O 3 , Al 2 O 3 and MgO) on the phase equilibrium of the hematite pellet system. The results show that the content of CaO has the most significant effect on the content of liquid phase and SPINA. There are critical values for the influence of SiO 2 and CaO on the Ca 3 Fe 2 Si 3 O 12 phase, which are 3.5% and 3.0%, respectively. Through in-situ heating experiments, XRD-Rietveld and SEM-EDS, the macro morphology and phase composition of the hardened samples were compared and analyzed. Finally, a multiple regression model is used to predict the liquid content of hematite pellets, which is effective in predicting the phase component.
研究领域:
冶金工程
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材料科学
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物理化学
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过程工程
✓ 已验证
DOI
高影响因子
IRANIAN POLYMER JOURNAL
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2021
·Vol. 30
·期 7
·675-683
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IF 1.899
Wei Liu,Jinju Ma,Hongjian Pang,Zongwu Wang,Xinding Yao
A degradable flocculant was prepared by natural renewable products (starch) and a cationic polymer. A cationic polyamine polymer was prepared by reaction of bis(hexamethylene)triamine with epichlorohydrin. The influence of substrate ratio and molecular weight of cationic polymer on flocculation was investigated and the optimum molecular weight was about 4000. Polyamine-modified starch flocculant was prepared by etherification reaction of cationic polyamine polymer and corn starch. The influence of substitution degree (DS) of starch on flocculation was investigated and the maximum DS was 0.18. The structure of starch-modified flocculant was characterized by XRD and the results confirmed that the plasticized samples contained some crystalline structures that were not destroyed by the etherification reaction process and some newly formed V-type crystalline structures were mainly induced by processing. Flocculation performance was evaluated in simulated kaolin suspension and was compared with that of commercial cationic polyacrylamide (CPAM) and polyaluminium chloride (PAC) flocculants. The flocculation effects of polyamine-modified starch flocculants and commercial flocculants under different dosages and pH values were compared. The results showed that the starch-modified flocculant had the best effect and the cationic starch derivatives flocculation performance increased with increasing DS, and exhibited steady flocculation performance to kaolin suspension in the broad pH range from 4 to 10. The preparation method of starch-modified flocculant is simple in preparation process, low in production cost and pollution-free, and facilitates industrial production.
研究领域:
环境科学
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材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2022
·
IF 16.744
Tao Zhou,Lingling Xie,Qing Han,Xinli Yang,Limin Zhu,Xiaoyu Cao
For cost and safety reasons, aqueous batteries are suitable for large-scale energy storage. Among all aqueous batteries, rechargeable aqueous zinc-ion batteries (ZIBs) are promising choices owing to the low equilibrium potential and high volumetric capacity of zinc. However, its development is also severely hindered by the limited available cathode materials, which generally display poor cycling capabilities. As one of the most investigated POVs (polyvanadates) today, (V 10 O 28 ) 6− has been demonstrated to be feasible in energy storage rely on the well-defined structure and fascinating material activity. Herein, we propose a polyvanadate-Na 6 V 10 O 28 with (V 10 O 28 ) 6− anion as a support structure and serve it for the first time as an aqueous ZIBs cathode. The high stability of the (V 10 O 28 ) 6− cluster permits the material to tolerate the reversible (de)insertion of Zn 2+ . As a result, the Na 6 V 10 O 28 cathode delivers a high capacity of 279.5 mAh g −1 after activation and an extraordinary lifespan over 2000 cycles. Furthermore, the pseudocapacitance analysis and GITT test reveal the pseudocapacitance behavior and high Zn 2+ diffusion coefficient (10 −10 cm 2 s −1 ) of the Na 6 V 10 O 28 /Zn cell, respectively. Not only that, ex-situ XRD, XPS, and TEM are also employed to analyze the storage mechanism of Zn 2+ , indicating the synergistic zinc-storage capacity of Na 6 V 10 O 28 and irreversible products. Overall, this work presents new insights into the application of Na 6 V 10 O 28 in aqueous ZIBs and also demonstrates the competitive potential of POVs for energy storage.
研究领域:
材料科学
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电化学
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能源存储
✓ 已验证
产品关联
DOI
高影响因子
Materials Science & Engineering C-Materials for Biological Applications
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2016
·
IF 3.42
Huan Zhou,Saisai Hou,Mingjie Zhang,Mengmeng Yang,Linhong Deng,Xinbo Xiong,Xinye Ni
In present work condensed phosphates (P 2 O 7 4 − and P 3 O 10 5 − ) were used as phosphate source in induction heating to deposit calcium phosphate coatings. The phase, morphology, and composition of different phosphate-related coatings were characterized and compared using XRD, FTIR, and SEM analyses. Results showed that P 2 O 7 4 − formed calcium pyrophosphate hydrate coatings with interconnected cuboid-like particles. The as-deposited calcium tripolyphosphate hydrate coating with P 3 O 10 5 − was mainly composed of flower-like particles assembled by plate-like crystals. The bioactivity and cytocompatibility of the coatings were also studied. Moreover, the feasibility of using hybrid phosphate sources for preparing and depositing coatings onto magnesium alloy was investigated.
研究领域:
材料科学
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生物材料
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表面工程
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF POWER SOURCES
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2018
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IF 6.945
Qiming Tang,Heng Su,Yanhui Cui,Andrew P. Baker,Yanchen Liu,Juan Lu,Xiaona Song,Huayu Zhang,Junwei Wu,Haijun Yu,Deyang Qu
As an advanced anode material for lithium-ion batteries, tin-chalcogenides receive substantial attention due to their high lithium-ion storage capacity. Here, tin chalcogenide (SnSe 0.5 S 0.5 ) nanoplates are synthesized using a facile and quick polyol-method, followed by heating at different temperatures. Results show that the as-prepared of SnSe 0.5 S 0.5 heated at temperature of 180 °C exhibits the best electrochemical performance with an outstanding discharge specific capacity of 1144 mA h g −1 at 0.1 A g −1 after 100 cycles and 682 mA h g −1 at 0.5 A g −1 after 200 cycles with a high coulombic efficiency (CE) of 98.7%. Even at a high current density of 5 A g −1 , this anode material delivers a specific capacity of 473 mA h g −1 . The high electrochemical performance of SnSe 0.5 S 0.5 is shown by in-situ XRD analysis to originate from an enhanced Li + intercalation and an alloy conversion process.
研究领域:
材料科学
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电化学
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纳米科技
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能源存储
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无机化学
✓ 已验证
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2020
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IF 5.774
Youru Yao,Na Mi,Cheng He,Huan He,Yong Zhang,Yongcai Zhang,Li Yin,Jing Li,Shaogui Yang,Shiyin Li,Lixiao Ni
The dissolved hexavalent chromium (Cr(VI)) in natural water system poses a significant risk for public health and the environment. Nanoscale ferrous sulfide (FeS) has been widely used to treat soils, sediments, groundwater, and natural waters contaminated with Cr(VI), but the reactivity of FeS can be significantly reduced due to its easy agglomeration and therefore decreased the remove rate of the dissolved Cr(VI). To overcome this problem, the present study used humic acid (HA) to modify FeS in order to reduce its agglomeration and increase stability. Results showed that the HA modified FeS (HA-FeS) had good stability and reduced FeS agglomeration. The hydrodynamic diameter of HA-FeS was between 235 and 241 nm, which was much smaller than that of the unmodified FeS. The maximum removal quantity of Cr(VI) by HA-FeS was 7.74 and 2.35 times higher that of HA and the unmodified FeS, respectively, and the maximum removal quantity of HA-FeS was 675.03 mg/g. Further, HA-FeS performed better efficiency in removing the dissolved Cr(VI) with high or low concentration. With an increasing concentration of Ca 2+ and Mg 2+ , the efficiency of HA-FeS to remove Cr(VI) showed a decreasing trend. The removal mechanism of Cr(VI) mainly relies on the reducibility of Fe 2+ and S 2− . XPS and XRD measurements further revealed that 95.03% of Cr(VI) was converted to Cr(III) (FeCr 2 O 4 , Cr(OH) 3 and Cr 2 O 3 ), and another 4.58% of Cr(VI) was adsorbed by HA-FeS. Therefore, this study demonstrated an efficient method to improve the nano-FeS stability and reactivity for the rapid repair of Cr(VI) contamination in natural water.
研究领域:
环境科学
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水处理
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纳米技术
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
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2021
·
IF 5.316
Fang Xu,Yan Yang,Xiaolei Shi,Yulong Liao,Yonggang Liu,Xueying Wang,Fei Xie,Jianbo Hu
Interest in improving the magnetic properties by co-doping has thrived since it is demonstrated that such co-doping can be used to control the microstructure of ferrites at a low sintering temperature . Usually this process involves grain growth and densification by liquid phase sintering or, in some cases, abnormal growth of grain. Here, we study the growth mechanism of the low-sintered LiZnTi ferrites doped with additions of Nb 2 O 5 and Li 2 CO 3 -MgO-ZnO-B 2 O 3 -SiO 2 (LMZBS) glass through characterization of microstructure and magnetic properties. SEM results show that along with the increase of LMZBS glass contents, the change of ferrite grain presents three different stages. At the initial stage, densification of grain is dominant and grain growth is unconspicuous. Due to the increase of LMZBS glass content, the main process at the second stage is grain growth. At the last stage, however, grain growth starts to be suppressed and pores appear again because of competition between the two additives. Corresponding to each stage, the magnetic parameters of the LiZnTi ferrites, including 4π M s , H ci , B s , B r / B s and Δ H , have different trends. Moreover, XRD patterns show that all samples have a pure spinel phase, which means influence of the two additives on crystal structure is negligible. All in all, we obtain a LiZnTi ferrite with uniform and compact microstructure, high saturation flux density ( B s = 294.2 mT), remanence ratio ( B r / B s = 0.87), saturation magnetization (4π M s = 3700.1 G) and low ferromagnetic resonance linewidth (Δ H = 253) at 900 °C.
研究领域:
材料科学
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磁学
·
陶瓷
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2015
·
IF 2.729
Qijiu Deng,Jing Xue,Wei Zou,Liping Wang,Aijun Zhou,Jingze Li
A functional organic small molecule anode material (dilithium 2,5-dihydroxyterephthalate, Li 2 DHTP) is synthesized via a simple wet chemistry methodology adopting 2,5-dihydroxyterephthalic acid (DHTPA) as the precursor. It delivers a high specific capacity of 165 mAh/g over 100 cycles with the coulombic efficiency of 98% and shows remarkable rate performance. The organic acid DHTPA also demonstrates electrochemical activity toward Li + storage and releases but with poor cyclic performance. XRD and FT-IR studies suggest that the de −/lithiation process of chemically replaced Li 2 DHTP is highly reversible. On the contrary, the de −/lithiation process of electrochemically replaced Li 2 DHTP intermediate product, where the corresponding DHTPA acid experiences an ion exchange process in the first discharge process, shows quite poor reversibility in the following cycles. The results illustrate that either chemical replacement or electrochemical replacement of DHTPA can generate Li 2 DHTP electrochemical active material. This methodology might be applied to synthesize advanced organic small molecules conjugated carbonyl materials for energy storage.
研究领域:
材料科学
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电化学
·
能源存储
✓ 已验证
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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2014
·
IF 2.93
Junxian Wang,Jie Huang,Haolong Xie,Ailan Qu
A photocatalyst composed of graphite-like carbon nitride (g-C 3 N 4 ) and TiO 2 was fabricated by a simple method to calcine the mixture of melamine and TiO 2 precursor. The photocatalyst has enhanced photoactivity for hydrogen evolution from water. Characterization by XRD , FTIR, SEM and elemental analysis showed that the crystal structure and morphologies of composites were affected by the amount of melamine in the composite. The UV–Vis characterization displayed that the optical absorption range of g-C 3 N 4 /TiO 2 hybrid was broadened with a synergistic effect . The photoactivity for H 2 evolution was shown that the best result obtained from the composite with 67 wt% melamine has about 5 times improvement compared with bare TiO 2 or pure g-C 3 N 4 . The enhanced photoactivity might be related with the favorable structure resulted from heat-treatment temperature, and the content of g-C 3 N 4 participating in wide optical absorption, separation and transportation of electronic-holes, as well as morphology of composite.
研究领域:
材料科学
·
光催化
·
氢能
✓ 已验证
产品关联
DOI
高影响因子
ELECTROCHIMICA ACTA
·
2016
·
IF 4.803
Youpeng Li,Kaina Shang,Wenjie Zhou,Linyin Tan,Xuexue Pan,Mingna Liao,Jianfei Lei,Lingzhi Zhao
This work introduces an effective, inexpensive and large-scale production route to the fabrication of a novel honeycomb-spherical Co 3 O 4 -TiO 2 nanocomposite anode material for use in rechargeable lithium ion batteries. The microstructure and phase composition of the Co 3 O 4 -TiO 2 product were characterized systematically. The Co 3 O 4 -TiO 2 nanocomposite electrode yielded fairly high reversible capacity of ∼1000 mAh/g at 200 mA/g after 100 cycles. Moreover, the electrode exhibited extraordinary rate ability and could regain its original specific capaities as reversing to the low current densities. Meanwhile, when being applied as anode material in full cells, it still achieved remarkably improved electrochemical performance compared with traditional graphite material. Noticeably, in-situ XRD measurement verified the conversion mechanism for the Co 3 O 4 -TiO 2 electrode. The likely contributing factors to these outstanding electrochemical properties of the Co 3 O 4 -TiO 2 nanocomposite could be related to the distinctive morphology including interlaced Co 3 O 4 nanoflakes (NFs) and the TiO 2 nanoparticles (NPs), which contains superior structural stability and allows more channels for the Li + insertion/extraction reaction. This research shows that the as-prepared Co 3 O 4 -TiO 2 nanocomposite could be suitable for use as a favorable cycle performance anode material for lithium ion batteries.
研究领域:
材料科学
·
电化学
·
纳米材料
·
能源存储
·
电池技术
✓ 已验证
DOI
高影响因子
CATALYSIS LETTERS
·
2022
·Vol. 153
·期 3
·921-930
·
IF 2.936
Zhang Kai,Zhang Huanling,Feng Xipan,Wang Yue,Wang Guowei,Zhu Xiaolin,Li Chunyi
The catalytic activities of metal–based catalysts are largely dependent on the properties of their supports. The support (MgO, Al 2 O 3 , MgAl 2 O 4 , SiO 2, and CeO 2 ) effect of the Sn (1.2 wt%) based catalyst for the ethylbenzene dehydrogenation reaction was firstly investigated. The supported Sn-based catalysts were characterized by NH 3 -TPD, BET, XRD, and H 2 -TPR. Among the tested catalysts, the 1.2 Sn/CeO 2 catalyst presented the most effective catalytic activity, achieving a high ethylbenzene conversion of 56.2 wt% at 600 °C. The obvious support effect should originate from the electronic interaction between Sn and supports, instead of the geometric effect resulting from different dispersion of Sn species on carriers. The high activity of the 1.2 Sn/CeO 2 catalyst was attributed to the generation of oxygen vacancies on the CeO 2 surface. A typical strong metal-support interaction (SMSI) could be found in the 1.2 Sn/CeO 2 catalyst according to the comparison of H 2 -TPR, XPS, and Raman spectra result with pure CeO 2 support. The addition of Sn further promoted the generation of more oxygen vacancies by changing the redox properties of CeO 2 , and inhibited the agglomeration of CeO 2 nanoparticles, thereby enhancing greatly the catalyst's ethylbenzene dehydrogenation activity. Graphical Abstract
研究领域:
催化
·
化学工程
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
Catalysis Science & Technology
·
2021
·Vol. 12
·期 3
·737-749
·
IF 6.119
Zhicheng Xu,Yuran Li,Yuting Lin,Bin Wang,Panting Gao,Tingyu Zhu
The reduction of NO by CO was proposed to be applied for regeneration gas to remove NOx from industrial flue gas with activated carbon purification technology. To improve the activity and sulfur resistance for the reduction of NO by CO in regeneration gas, Cu and Fe modifications on activated carbon were investigated. And various samples were characterized by XRD, XPS, TPD, H2-TPR, in situ DRIFTS and DFT calculations to explain the reaction mechanism and poisoning mechanism. The synergistic effects of oxygen-containing functional groups and metal sites show that –COOH acts as an anchor site for metals and that C–O–C acts as a protective site for Fe3+ under a SO2 atmosphere. Cu2+ sites have a high activity at low temperatures due to the large amount of adsorbed NO and the intermediate NOx− participating in the reaction with the NOx− pathway. Fe3+ sites have a high activity at high temperatures due to the high N–O dissociation activity with the *N pathway and –NCO pathway. DFT calculations proved that the binding Cu2+ and Fe3+ sites have higher activity than free Cu2+ and Fe3+ sites. A high content of SO2 exhibits various poisoning effects, mainly including the sulfation of metal sites, deposition of S, and consumption of CO. AC-Fe-H exhibits excellent resistance and stability against SO2 and H2O due to less S deposition caused by consumption through the S–CO reaction, slight sulfation caused by the protective effect of Fe2+ and C–O–C on Fe3+ sites and better hydrophobicity.
研究领域:
环境科学
·
化学工程
·
材料科学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）