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Room Temperature Modulated Structure of Ca and K co-Doped LaMnO_3

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Chemical Research in Chinese Universities 2012年第5期28卷 784-787页

作者： HOU Chang-min HUANG Ke-ke HU Bin YUAN hong-ming FENG Shou-hua State Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of ChemistryJilin UniversityChangehun 130012R R.China

A series of perovskite compounds of La1-x-yCaxKyMnO3 was prepared by hydrothermal disproportionation reaction of MnO2. The three oxidation states of manganese（Mn3＋, Mn4＋ and Mn5＋） can stably exist in the compounds. Under room temperature conditions, twice and three times modulated structure produced by the charge ordering can be observed by X-ray diffraction（XRD）, select area electron diffraction（SAED） and high resolution transmission electron microscopy（HR-TEM）. The splits of the diffraction peaks of the single crystals confirmed by synchrotron X-ray diffraction experiment are in accordance with those of the powder sample. The existence of the different oxidation states of Mn3＋, Mn4＋ and Mn5＋ can be considered to be the dominating reason of the complicated room temperature modulated structure.

关键词： Modulated structure Mixed valence state Room temperature

Evaluation on performance of MM/PBSA in nucleic acid-protein systems

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Chinese Physics B 2022年第4期31卷 727-732页

作者： Yuan-Qiang Chen Yan-Jing Sheng hong-ming Ding Yu-Qiang Ma Center for Soft Condensed Matter Physics and Interdisciplinary Research School of Physical Science and TechnologySoochow UniversitySuzhou 215006China National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

The molecular mechanics/Poisson-Boltzmann surface area(MM/PBSA) method has been widely used in predicting the binding affinity among ligands,proteins,and nucleic ***,the accuracy of the predicted binding energy by the standard MM/PBSA is not always good,especially in highly charged *** this work,we take the protein-nucleic acid complexes as an example,and showed that the use of screening electrostatic energy(instead of Coulomb electrostatic energy) in molecular mechanics can greatly improve the performance of MM/*** particular,the Pearson correlation coefficient of dataset Ⅱ in the modified MM/PBSA(i.e.,screening MM/PBSA) is about 0.52,much better than that(<0.33)in the standard MM/***,we also evaluate the effect of solute dielectric constant and salt concentration on the performance of the screening MM/*** present study highlights the potential power of the screening MM/PBSA for predicting the binding energy in highly charged bio-systems.

关键词： molecular mechanics/Poisson-Boltzmann surface area(MM/PBSA) screening electrostatic interaction protein nucleic acid molecular dynamics simulation

Radiation removal of synthetic estrogens in aqueous solution:influence of reduction or oxidation system and toxicity test

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Nuclear Science and Techniques 2016年第1期27卷 63-70页

作者： ming-hong Wu Jia-Ling Li Xiang-Xin He Gang Xu Guo-Ji Ding Wen-Yan Shi Institute of Applied Radiation School of Environmental and Chemical Engineering Shanghai University

Estrogens as a kind of steroidal sex hormone are widely used in humans, especially quinestrol(QS),dienestrol(DS) and norethindrone(NET, 19-nor-17-alphaethinltestoster-one), which cannot be completely degraded after application. Steroidal estrogens at low concentration pulling into environment can disturb the normal biological function of wide life and thus lead to great threat to humans. So it is important to explore its degradation mechanism and its behavior in the environment. In this study, we investigated the oxidation or reduction system under gamma irradiation for reducing estrogenic activity in the aqueous solutions as well as degradation kinetics, its by-products and yield of transformation by different analytical methods such as GC–MS and HPLC. Gamma irradiation could effectively degrade estrogens in aqueous solution. The degradation reaction of estrogens could be depicted by first-order reaction kinetics. The total organic carbon of solution decreased with an increasing absorbed dose with the order: quinestrol [ norethindrone [ dienestrol. The toxicity of the three estrogens was declined after irradiation. Mono- and quadric-hydroxylated intermediates as well as organic acids were formed after gamma irradiation.

关键词：甾体雌激素还原系统毒性试验水溶液辐射能氧化一级反应动力学 γ射线照射

Low-temperature deNO_(x)performance and mechanism:a novel FeVO_(4)/CeO_(2)catalyst for iron ore sintering flue gas

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Journal of Iron and Steel Research International 2024年第9期31卷 2110-2121页

作者： Long Ding He-xi Zhao Ke Cheng Li-xin Qian Peng-yu Qi Qi Shi hong-ming Long School of Metallurgical Engineering Anhui University of TechnologyMa’anshan243002AnhuiChina Key Laboratory of Metallurgical Emission Reduction and Resources Recycling(Anhui University of Technology) Ministry of EducationMa’anshan243002AnhuiChina Engineering Technology Training Center Nanjing Vocational University of Industry TechnologyNanjing21000JiangsuChina

Developing deNO_(x)catalysts with lower activity temperatures range significantly reduces NH_(3)selective catalytic reduction(SCR)operating costs for low-temperature industrial flue ***,a novel FeVO_(4)/CeO_(2)catalyst with great low-temperature NH_(3)-SCR and nitrogen selectivity was synthesized using a dipping *** techniques such as X-ray diffraction,Raman spectroscopy,specific surface and porosity analysis,H2 temperature-programmed reduction,NH_(3)temperature-programmed desorption,X-ray photoelectron spectroscopy,and the in situ diffused reflectance infrared Fourier transform spectroscopy were used to investigate the catalytic *** appropriate addition for FeVO_(4)in the catalyst was 5 wt.%from the results,and the active substance content reached the maximum dispersal capacity of the *** NO_(x)conversion exceeded 90%,and the nitrogen selectivity was more than 98%over this catalyst at 200–350℃.The activity was kept at 88%after 7.5 h of reaction at 200℃ for 7.5 h in 35 mg m^(-3)SO_(2)*** remarkable deNO_(x)activity,nitrogen selectivity,and sulphur resistance performances are attributed to the low redox temperature,the abundance of medium-strong acid and strong acid sites,the sufficient adsorbed oxygen,and the superior Fe^(2+)content on the *** Langmuir–Hinshelwood mechanism was observed on the FeVO_(4)/CeO_(2)catalyst in the NH_(3)selective catalytic reduction of NO_(x).

关键词： FeVO_(4)/CeO_(2)catalyst NH_(3)-SCR deNO_(x) Low-temperature activity Langmuir-Hinshelwood mechanism

Length of stay in urban areas of circular migrants from the mountainous areas in China

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Journal of Mountain Science 2016年第5期13卷 947-956页

作者： TAN ming-hong LI Xiu-bin YAN Jian-zhong XIN Liang-jie SUN Lai-xiang Key Laboratory of Land Surface Pattern and Simulation Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing100101China College of Resources and Environment Southwest UniversityChongqing 400715China Department of Geographical Sciences University of MarylandCollege ParkMD 20742USA

Currently, there is limited literature dealing with the length of stay of circular migrants in urban areas （LSCMU）, although many studies have discussed the phenomenon of migration and the determinants of migration. This study attempts to fill that gap using survey data from the mountainous areas of Chongqing, Southwest China. From a comparative perspective, this study divided workers into two groups （a young group aged between 16 and 35 years and an old group aged between 36 and 65 years）. The average LSCMU values for the young and old groups were 225 days and ~74 days, respectively. Two multi-regression models were used to estimate the determinants of LSCMU in the two groups. The results showed that LSCMU was closely related to individual factors in both groups, including gender, age and job training. Family and community factors, including household size, arable land per capita and the distance from market, had much weaker effects on the dependent variable, especially in the older group. It was noticeable that job training had significant positive effects on LSCMU in both groups; these findings have special implications for the urbanization process in China.

关键词： Circular migrants Urban Mountain areas China

γ-Ray radiolysis of acetohydroxamic acid in HNO_3 and its radiolytic product

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Nuclear Science and Techniques 2018年第2期29卷 103-110页

作者： Jin-Hua Wang Chao Li Qian Li ming-hong Wu Wei-Fang Zheng Hui He School of Environmental and Chemical Engineering Shanghai University Radiochemistry Department China Institute of Atomic Energy

Acetohydroxamic acid(AHA) is a novel saltfree reagent used for the separation of Pu and Np from U in the advanced Purex process. This paper reports the c-ray damage of AHA in HNO_3 and its radiolytic product. For 0.2 mol L^(-1) AHA in 0.2–2.0 mol L^(-1) HNO_3 irradiated at a dose of 5–25 kGy, the radiolytic rate of AHA is6.63–77.5%, and it increases with the HNO_3 concentration and absorbed dose. The main radiolytic gases are N_2O and H_2, with volume fractions of(0.500–16.2) 9 10^(-2) and(1.30–11.8) 9 10^(-3), respectively, and they increase with the absorbed dose; the H_2 volume fraction decreases with increasing HNO_3 concentration. The main liquid radiolytic products are CH_3 COOH and HNO_2, and their concentrations are(3.40–19.7) 9 10^(-2) and(0.200–4.80) 9 10^(-3)-mol L^(-1), respectively, which increase with the HNO_3 concentration. Since a significant concentration of HNO_2 is present in the irradiated AHA-HNO_3 solution, a holding reductant must be used to destroy HNO_2 and stabilize Pu(Ⅲ) and Np(Ⅴ) when AHA is applied for the separation of Pu and Np from U.

关键词： Acetohydroxamic acid γ-Ray radiolysis Radiolytic product Complexant reductant Purex process

Effect of quaternary basicity on reduction behavior of iron-bearing dust pellets

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Journal of Iron and Steel Research International 2023年第7期30卷 1356-1366页

作者： Tao Yang Jing-shu An Xing-wang Li Shuang Liu Xu Gao Lei Ma Jie Lei hong-ming Long School of Metallurgical Engineering Anhui University of TechnologyMa’anshan 243032AnhuiChina Key Laboratory of Metallurgical Emission Reduction&Resources Recycling(Anhui University of Technology) Ministry of EducationMa’anshan 243002AnhuiChina

The treatment of iron-bearing dusts and sludges by the rotary hearth furnace process has the advantage of sufficient utilization of valuable metals and a high impurity removal rate,but the lower strength of the metallized product needs to be *** effects of quaternary basicity R4(w(CaO+MgO)/w(SiO_(2)+Al_(2)O_(3)))on the reduction behavior and physical and chemical properties of metallized pellets,including phase composition,compressive strength,microstructure and soft melting area,were investigated with FactSage thermodynamic software and *** strength of metallized pellets depended on the gangue composition,such as CaO,MgO,Al_(2)O_(3) and SiO_(2),due to the altered chemical composition,physical phase composition,microscopic morphology and stability of the slag *** reduction of carbon-bearing pellets was significantly promoted by suitable *** lower basicity(R_(4)1.8)also increased the amount of liquid phase and improved the strength of the pellets,due to the granular iron crystals bonded into ***,the main component of the liquid phase in high-basicity conditions was calcium *** the additional amount of liquid phase was beneficial to the strength of the metallized pellets,calcium disilicate was formed at R_(4)=1.6,resulting in a reduction in the compressive strength of the pellets to 1521.9 N/pellet.

关键词： Metallurgical solid waste Iron-bearing dust Iron-bearing sludge Rotary hearth furnace Quaternary basicity Metallized pellet High-temperature performance Metallized pellet High-temperature performance

Effect of Additives on Melting Point of LATS Refining Ladle Slag

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Journal of Iron and Steel Research International 2007年第2期14卷 25-29页

作者： WANG hong-ming LI Gui-rong DING Zhen-tao DAI Qi-xun LI Bo School of Material Science and Engineering Jiangsu University Zhenjiang 212013 Jiangsu China Stainless Steel Branch Baosteel Group Shanghai 200431 China

To avoid slag sticking on the ladle immersion cover during the LATS refining and alloying process, the effect of Al2O3 on the melting point of the ladle slag was studied and the additives including CaF2, B2O3, Li2O, and CaO were used to decrease the melting point of the ladle slag. The melting point was measured using the hemisphere method. The results show that the addition of Al2O3 to the ladle slag increases the melting point. The fluxing action is not remarkable if only CaF2 or CaO is used as the additive. The fluxing action of the composite additive obtained by the mixing of CaO and CaF2 in the mass proportion of ωCaO：ωCaF2=2 ： 1 is preferred. The fluxing action of B2O3 is also notable. When the B2O3 content in mass percent is in the range from 2% to 10%, the corresponding melting point is 1 380 ℃ to 1 290℃. The fluxing action of Li2O is the most remarkable. When the Li2O content is up to 5%, the melting point of the slag is lower than 1 300 ℃.

关键词： LATS refining ladle slag melting point additive immersion cover

Low-temperature oxidation behavior and mechanism of semi-dry desulfurization ash from iron ore sintering flue gas

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Journal of Iron and Steel Research International 2021年第9期28卷 1075-1081页

作者： Yi-fan Wang Yu-dong Zhang hong-ming Long Li-xin Qian Yun-fei Luo Ru-fei Wei School of Metallurgical Engineering Anhui University of TechnologyMa'anshan 243032AnhuiChina Key Laboratory of Metallurgical Emission Reduction and Resources Recycling(Anhui University of Technology) Ministry of EducationMa'anshan 243002AnhuiChina

The low-temperature wet oxidation behavior of semi-dry desulfurization ash from iron ore sintering flue gas in ammonium citrate solution was investigated for efficiently utilizing the low-quality desulfurization ash. The effects of the ammonium citrate concentration, oxidation temperature, solid/liquid ratio, and oxidation time on the wet oxidation behavior of desulfurization ash were studied. Simultaneously, the oxidation mechanism of desulfurization ash was revealed by means of X-ray diffraction, Zeta electric resistance, and X-ray photoelectron spectroscopy (XPS) analysis. Under the optimal conditions with ammonium citrate, the oxidation ratio of CaSO_(3) was up to the maximum value (98.49%), while that of CaSO_(3) was only 8.92% without ammonium citrate. Zeta electric resistance and XPS results indicate that the dissolution process of CaSO_(3) could be significantly promoted by complexation derived from the ammonium citrate hydrolysis. As a result, the oxidation process of CaSO_(3) was transformed from particle oxidation to SO_(3)^(2−) ion oxidation, realizing the rapid transformation of desulfurization ash from CaSO_(3) to CaSO_(4) at low temperature. It provides a reference for the application of semi-dry desulfurization ash and contributes to sustainable management for semi-dry desulfurization ash.

关键词： Semi-dry desulfurization ash Ammonium citrate Calcium sulfite Calcium sulfate Wet oxidation Sintering flue gas Low-temperature oxidation