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Discovery of Cosmic Spherules from the Mesoproterozoic Strata and its Significance——in Case of the Ming Tombs Area, Beijing
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作者 SONG Tianrui ZHENG Ning +9 位作者 LIU Yongqing KUANG Hongwei PENG Nan LI Chao TANG Jigang YAN Qinggao GAO Linzhi ZHU Zhicai XIA Xiaoxu WANG Yuchong 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2020年第1期38-56,共19页
This study covers cosmic spherules derived from the Mesoproterozoic Dahongyu Formation in the Ming Tombs area, Beijing. The cosmic spherules include iron oxide cosmic spherules, carbonaceous chondrites, and atomic iro... This study covers cosmic spherules derived from the Mesoproterozoic Dahongyu Formation in the Ming Tombs area, Beijing. The cosmic spherules include iron oxide cosmic spherules, carbonaceous chondrites, and atomic iron "steely bead"-shaped cosmic spherules. The mineral assemblage of silicon carbide, forsterite, zircon, and glass spherules and fragments were picked from melt-silicified carbonate of the Mesoproterozoic Dahongyu Formation(ca. 1625 Ma). Cosmic spherule assemblages are solely discovered from sedimentary rocks in China. Platinum group elements(PGE) were determined for the first time in cosmic spherules and associated minerals. PGE comparative observation between meteorite and cosmic spherules is presented in this study. It is recognized that an extraterrestrial meteorite impact event might have occurred in the Dahongyu Stage. The main evidence is a large number of iron cosmic spherules in silicified oncolitic limestone, and associated cosmic silicon carbide, glass spherules, and fragments, as well as the presence of forsterite. The impact-volcanic crater is characteristic of a big black shale block dropped into the bended silicified limestone. 展开更多
关键词 COSMIC SPHERULES carbonaceous CHONDRITE meteorite PGE Proterozoic STRATA BEIJING impact event
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Similar material simulation of time series system for induced caving of roof in continuous mining under backfill 被引量:9
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作者 高峰 周科平 +1 位作者 董卫军 苏家红 《Journal of Central South University of Technology》 EI 2008年第3期356-360,共5页
With the help of similar material simulation test,time series system for induced caving of roof in continuous mining under complex backfill in ore body No.92 of Tongkeng Tin Mine was studied. According to the similari... With the help of similar material simulation test,time series system for induced caving of roof in continuous mining under complex backfill in ore body No.92 of Tongkeng Tin Mine was studied. According to the similarity theory,a two-dimensional similar simulation test-bed was constructed. The stress and displacement that change along with the advance of mining were acquired and analyzed automatically by data system. The processes of continuous mining of ore-block in 5 intervals and artificial induced caving of roof were simulated. The results of the test show that ore body remained as safety roof in thickness of 15 m guarantees the safe advance of stoping work face. Caving of safety roof puts in practice at the first two mining intervals when the third interval of continuous mining is finished,and one interval as the safety distance should be kept all the time between stopping and caving. While mining in the last interval,pre-slotting should be implemented first of all,and the roof of the last two mining intervals is caved simultaneously. Only this kind of time series system can be an efficient and safe way for induced caving of roof in continuous mining. 展开更多
关键词 连续采煤法 崩落开采法 相似材料模拟 矿山安全 回填
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Synthesis and physico-chemical properties of new green electrolyte 1-butyl-3-methylimidazolium perchlorate 被引量:3
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作者 王晓丹 吴文远 +1 位作者 徐赣峰 将开喜 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2010年第10期2032-2036,共5页
1-butyl-3-methylimidazolium perchlorate([BMIM]ClO4) was synthesized by two steps with N-methylimidazolium.Some physico-chemical properties,such as density,surface tension,viscosity,electrical conductivity as well as e... 1-butyl-3-methylimidazolium perchlorate([BMIM]ClO4) was synthesized by two steps with N-methylimidazolium.Some physico-chemical properties,such as density,surface tension,viscosity,electrical conductivity as well as electrochemical window,were investigated and solvent performance was also studied.The results show that this kind of ionic liquid is an excellent electrolyte with low viscosity,high electrical conductivity and wide electrochemical window.In addition,[BMIM]ClO4 is soluble in most conventional solvents and some metal oxides have high solubility in it,which lays the foundation of direct electrolysis of metal oxides in this ionic liquid. 展开更多
关键词 物理化学性质 高氯酸盐 绿色合成 丁基 电解液 电化学窗口 金属氧化物 离子液体
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Effects of minerals in ferric bauxite on sodium carbonate decomposition and volatilization 被引量:1
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作者 胡文韬 王化军 +1 位作者 刘欣伟 孙传尧 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第7期2503-2507,共5页
Direct reduction is an emerging technology for ferric bauxite utilization. However, because of sodium volatilization, its sodium carbonate consumption is considerably higher than that in ordinary bauxite processing te... Direct reduction is an emerging technology for ferric bauxite utilization. However, because of sodium volatilization, its sodium carbonate consumption is considerably higher than that in ordinary bauxite processing technology. TG-DSC and XRD were applied to detecting phase transformation and mass loss in direct reduction to reveal the mechanism on sodium volatilization. The results show that the most significant influence factor of ferric bauxite on sodium volatilization in direct reduction system is its iron content. Sodium volatilization is probably ascribed to the instability of amorphous substances structure. Amorphous substances are the intermediate-products of the reaction, and the volatilization rate of sodium increases with its generating rate. These amorphous substances are volatile, thus, more sodium is volatilized with its generation. A small amount of amorphous substances are generated in the reaction between Na2CO3 and Al2O3; thus, only 3.15% of sodium is volatilized. Similarly, the volatilization rate is 1.87% in the reaction between Na2CO3 and SiO2. However, the volatilization rate reaches 7.64% in the reaction between Na2CO3 and Fe2O3 because of the generation of a large amount of amorphous substances. 展开更多
关键词 碳酸钠 挥发率 矿物质 铁铝 铝矿物 NA2CO3 直接还原法 非晶态物质
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Rock burst laws in deep mines based on combined model of membership function and dominance-based rough set
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作者 刘浪 陈忠强 王李管 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第9期3591-3597,共7页
Rock bursts are spontaneous, violent fracture of rock that can occur in deep mines, and the likelihood of rock bursts occurring increases as depth of the mine increases. Rock bursts are also affected by the compressiv... Rock bursts are spontaneous, violent fracture of rock that can occur in deep mines, and the likelihood of rock bursts occurring increases as depth of the mine increases. Rock bursts are also affected by the compressive strength, tensile strength, tangential strength, elastic energy index, etc. of rock, and the relationship between these factors and rock bursts in deep mines is difficult to analyze from quantitative point. Typical rock burst instances as a sample set were collected, and membership function was introduced to process the discrete values of these factors with the discrete factors as condition attributes and rock burst situations as decision attributes. Dominance-based rough set theory was used to generate preference rules of rock burst, and eventually rock burst laws analysis in deep mines with preference relation was taken. The results show that this model for rock burst laws analysis in deep mines is more reasonable and feasible, and the prediction results are more scientific. 展开更多
关键词 岩爆倾向性 优势度 隶属度函数 矿山 岩石破裂 抗压强度 决策属性 深部开采
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Channel effect of the modified powdery mixture of ammonium nitrate and fuel oil
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作者 Chun-ping Wu Lian-sheng Liu +2 位作者 Xu-guang Wang Yong Liu Yin-jun Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2010年第5期519-525,共7页
The modified powdery mixture of ammonium nitrate and fuel oil (MPANFO) is a new breed of industrial explosives developed years ago in China. As one of the important properties of an industrial explosive, the channel... The modified powdery mixture of ammonium nitrate and fuel oil (MPANFO) is a new breed of industrial explosives developed years ago in China. As one of the important properties of an industrial explosive, the channel effect of MPANFO was reported in this paper. A series of experiments were conducted to determine the channel effect of MPANFO. The blasthole diameter range was estimated to avoid the channel effect of MPANFO. Three empirical formulae for predicting the detonation length of MPANFO were provided in terms of the channel effect. Experiments and theoretical analysis indicate that the channel effect of MPANFO is very serious. The reason why the channel effect of MPANFO is worse than that of other industrial explosives is explained at a theoretical level. In addition, some properties of MPANFO, such as sympathetic distance, detonation velocity and brisance, are determined. 展开更多
关键词 energetic materials explosives DETONATION channel effect
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STUDY ON FLOTATION OF RARE EARTH MINERALS WITH P538 AND ITS MECHANISM
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作者 周高云 罗家珂 《Journal of Rare Earths》 SCIE EI CAS CSCD 1990年第4期296-300,共5页
The properties and collecting ability of a new collector,monoalkyl ester phosphoric acid(P538),for the flotation of rare earth minerals are described in the paper.The mechanism of P538 adsorption on the surfaces of mo... The properties and collecting ability of a new collector,monoalkyl ester phosphoric acid(P538),for the flotation of rare earth minerals are described in the paper.The mechanism of P538 adsorption on the surfaces of monazite or bastnaesite is explored by modern measuring techniques,such as IR and ESCA,etc. 展开更多
关键词 ESCA STUDY ON FLOTATION OF RARE EARTH MINERALS WITH P538 AND ITS MECHANISM
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Preparation and characterization of conductive antimony-doped tin oxide (ATO) nanoparticles
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作者 林锋 段学臣 任先京 《广东有色金属学报》 2005年第2期258-261,共4页
In this paper, conductive antimony-doped tin oxide (ATO) composite particles is prepared by hydroxylation method of metal alcoxides. This method has many advantages such as little pollution, low-cost, simple sheet and... In this paper, conductive antimony-doped tin oxide (ATO) composite particles is prepared by hydroxylation method of metal alcoxides. This method has many advantages such as little pollution, low-cost, simple sheet and equipment. The synthesis processing and the ATO nanoparticles are characterized by means of transmission electron microscope (TEM), X-ray diffraction (XRD), thermal gravimetric and differential thermal analysis, and BET. The results show that the ATO nanoparticles is tetragonal rutile crystal structure. TEM show that the particles are monodispersed with weak aggromation. The size of the particles calcinated at 700 is about 8nm. The specific areas are 153 m^2·g~ -1 . In addition to, ATO nanoparticles have good electric 展开更多
关键词 烃氧基金属 金属材料 粉末 电学性能
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Stability analyses of vertically exposed cemented backfill:A revisit to Mitchell's physical model tests 被引量:12
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作者 Liu Guangsheng Li Li +1 位作者 Yang Xiaocong Guo Lijie 《International Journal of Mining Science and Technology》 SCIE EI CSCD 2016年第6期1135-1144,共10页
Mitchell's solution is commonly used to determine the required strength of vertically exposed cemented backfill in mines. Developed for drained backfill, Mitchell model assumed a zero friction angle for the backfi... Mitchell's solution is commonly used to determine the required strength of vertically exposed cemented backfill in mines. Developed for drained backfill, Mitchell model assumed a zero friction angle for the backfill. Physical model tests were performed. Good agreements were obtained between the required strengths predicted by the analytical solution and experimental results. However, it is well-known that zero friction angle can only be possible in terms of total stresses when geomaterials are submitted to unconsolidated and undrained conditions. A revisit to Mitchell's physical model tests reveals that both the laboratory tests performed for obtaining the shear strength parameters of the cemented backfill and the box stability tests were conducted under a condition close to undrained condition. This explains well the good agreement between Mitchell's solution and experimental results. Good agreements are equally obtained between Mitchell's experimental results and FLAC3 D numerical modeling of shortterm stability analyses of exposed cemented backfill. 展开更多
关键词 物理模型试验 胶结充填体 稳定性分析 米切尔 垂直 排水条件 抗剪强度参数 FLAC3D
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Influence of an emulsifier on the pressure desensitization of emulsion explosives 被引量:4
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作者 Yinjun Wang Xuguang Wang Shilong Yah 《Journal of University of Science and Technology Beijing》 CSCD 2006年第2期102-107,共6页
The desensitization degree of emulsion explosives (EE) was calculated with the peak pressure of explosion shock waves tested in water. To an explosive, the less the desensitization degree, the better the compression... The desensitization degree of emulsion explosives (EE) was calculated with the peak pressure of explosion shock waves tested in water. To an explosive, the less the desensitization degree, the better the compression resistance, so the compression resistance of an explosive can be compared and analyzed quantificationally with the desensitization degree. The influence of an emulsifier on the pressure desensitization of EE was studied, including the content and category of emulsifiers. Three kinds of emulsifiers (Span-80, compound emulsifier, and T-152) were used in the tests. The experimental results show that both the content and category of emulsifiers make a great effect on the pressure desensitization of EE. The desensitization degree of EE reduces with the emulsifier content being increased, but there is an optimal content of an emulsifier for the compression resistance of EE. While the content of Span-80 reaches 4wt%, the desensitization degree of EE becomes a minimal value, and augments somewhat if the emulsifier content is increased more. That is to say, the compression resistance of EE becomes the highest while the content of Span-80 is 4wt%, and the compression resistance will decline if the content of Span-80 is increased more. The compression resistance of the explosive emulsified by compound emulsifier is the highest among all the explosives, when the content of the whole components and manufacturing engineering are kept invariable. 展开更多
关键词 emulsion explosive EMULSIFIER pressure desensitization shock wave compression resistance
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A new synthetic chelating collector for the flotation of oxidized-lead mineral 被引量:4
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作者 Yongkai Zhu Chuanyao Sun Weiguo Wu 《Journal of University of Science and Technology Beijing》 CSCD 2007年第1期9-13,共5页
A new synthetic reagent DPTUHP [diphenyl α-(3-phenylthioureido) hexylpbosphonate] containing a hydrocarbon chain nonpolar group, a thioureido, and a phosphonate easter chelating group, has proven to be an effective... A new synthetic reagent DPTUHP [diphenyl α-(3-phenylthioureido) hexylpbosphonate] containing a hydrocarbon chain nonpolar group, a thioureido, and a phosphonate easter chelating group, has proven to be an effective collector for the flotation of cerussite mineral. The synthetic method utilized the Mannich-type reaction of an N-monosubstituted thiourea, an aldehyde, and triphenyl phosphate in glacial acetic acid solution. The experimental results of flotation of the cerussite mineral show that the collector has stronger collecting ability and higher selectivity in a neutral and a slightly alkaline medium, especially in the pulp of pH=8. Using the measurements by infrared spectroscopy (IR) and X-ray photoelectron spectroscopy (XPS) of the cerussite mineral, the collector, as well as the cerussite treated with the collector, the flotation mechanism of cerussite has been discussed. It is concluded that the adsorption of collector on cerussite is a chemical adsorption through the electron donor atoms of the collector chelating the Pb ( Ⅱ ) of cerussite to form chelate. 展开更多
关键词 α-(3-phenylthioureido) hexylphosphonate FLOTATION chelating collector cerussite mineral
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Correlation between aggregation structure and tailing mineral crystallinity 被引量:2
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作者 Wen-tao Hu Xin-wei Li +2 位作者 Hua-jun Wang Chuan-yao Sun Xu-qin Duan 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2014年第9期845-850,共6页
Direct reduction is an emerging technology for the utilization of refractory iron ore. With this technology, iron oxides in the ore can be reduced to recoverable elemental iron. The structure of granular aggregates in... Direct reduction is an emerging technology for the utilization of refractory iron ore. With this technology, iron oxides in the ore can be reduced to recoverable elemental iron. The structure of granular aggregates in direct reduction products was investigated by X-ray diffraction (XRD). The results show that iron is mainly generated as a shell in the outer edge of the aggregates. The thermal conductivity of the iron shell is higher than that of other minerals. Thus, minerals close to the iron shell cool faster than those in the inner shells and do not crystallize well. These minerals mainly become stage 2 tailings. Hence the XRD intensity of stage 2 tailings is lower than that of stage 1 tailhags. When iron is mainly generated in the interior of the aggregates, the crystallinity of stage 2 tailings will be higher than that of stage 1 tailings. This indicates that the crystallinity of tailings can be used as a marker for the aggregate structure. 展开更多
关键词 iron ore reduction AGGREGATION CRYSTALLINITY railings
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Slurry electrolysis of ocean polymetallic nodule 被引量:1
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作者 王成彦 邱定蕃 +2 位作者 尹飞 王含渊 陈永强 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2010年第S1期60-64,共5页
The ocean poly-metallic nodule was leached by using slurry electrolysis process in HCl-NaCl medium.The leaching rates of Mn,Co,Cu and Ni in the ocean poly-metallic nodule are all above 97%.Meanwhile,the high purity of... The ocean poly-metallic nodule was leached by using slurry electrolysis process in HCl-NaCl medium.The leaching rates of Mn,Co,Cu and Ni in the ocean poly-metallic nodule are all above 97%.Meanwhile,the high purity of electrolytic MnO2 is also obtained as an anode product.The effects of electrolysis electric quantity,acidity,temperature,slurry density,grain size and iron ions concentration were studied.The results show that the ocean poly-metallic nodule can be treated economically in the slurry electrolysis process. 展开更多
关键词 ocean poly-metallic nodule slurry electrolysis process high purity MnO2
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Influence of surface modification on isothermal oxidation behavior of EB-PVD NiA1 coating 被引量:1
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作者 李合非 陶淑风 +2 位作者 江阔 A. HESNAWI 宫声凯 《中国有色金属学会会刊:英文版》 CSCD 2006年第A02期20-25,共6页
关键词 表面改性 EB-PVD涂层 NIAL涂层 热障涂层 等温氧化行为 NIAL金属间化合物
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Improved flotation performance of hematite fines using citric acid as a dispersant 被引量:3
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作者 Xi-mei Luo Wan-zhong Yin +3 位作者 Chuan-yao Sun Nai-ling Wang Ying-qiang Ma Yun-fan Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2016年第10期1119-1125,共7页
In this study, citric acid was used as a dispersant to improve the flotation performance of hematite fines. The effect and mechanism of citric acid on the reverse flotation of hematite fines were investigated by flota... In this study, citric acid was used as a dispersant to improve the flotation performance of hematite fines. The effect and mechanism of citric acid on the reverse flotation of hematite fines were investigated by flotation tests, sedimentation experiments, scanning electron microscopy(SEM), zeta-potential measurements, and X-ray photoelectron spectroscopy(XPS). The results of SEM analysis and flotation tests reveal that a strong heterocoagulation in the form of slime coating or coagulation in hematite fine slurry affects the beneficiation of hematite ores by froth flotation. The addition of a small amount of citric acid(less than 300 g/t) favorably affects the reverse flotation of hematite fines by improving particle dispersion. The results of sedimentation experiments, zeta-potential measurements, and XPS measurements demonstrate that citric acid adsorbs onto hematite and quartz surfaces via hydrogen bonding, thereby reducing the zeta potentials of mineral surfaces, strengthening the electrical double-layer repulsion between mineral particles, and dispersing the pulp particles. 展开更多
关键词 hematite citric acid dispersion flotation hydrogen bonding
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THEORETIC ENERGY CONSUMPTION OF NONFERROUS METALS BY VACUUM DISTILLATION
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作者 Liu Rixin Wu Hua Dai Yongnian 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 1996年第1期44-46,共3页
The expressions of heat of evaporation for metals at different temperatures were deduced from Clausius-Clapeyron equation and the total change of enthalpy.Those of Pb,Cd and Zn were calculated.Results showed that theo... The expressions of heat of evaporation for metals at different temperatures were deduced from Clausius-Clapeyron equation and the total change of enthalpy.Those of Pb,Cd and Zn were calculated.Results showed that theoretic energy consumption decreased a little with the decrease of e-vaporation temperature,which can be used to determine the energy demand while these metals are distilled at different process temperatures and pressures. 展开更多
关键词 energy consumption heat of evaporation vacuum distillation
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Nanometer properties of oceanic polymetallic nodules and cobalt-rich crusts 被引量:6
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作者 BAI Zhimin YIN Caiqiao +2 位作者 JIANG Xunxiong LIU Xu WANG Shengdong 《Chinese Science Bulletin》 SCIE EI CAS 2002年第15期1308-1311,共4页
An ammonia leaching process was utilized to extract Co, Ni and Cu from oceanic polymetallic nodules, whereas an acid leaching process was utilized to extract Co, Ni, Cu, Zn and Mn from cobalt-rich crusts. Both process... An ammonia leaching process was utilized to extract Co, Ni and Cu from oceanic polymetallic nodules, whereas an acid leaching process was utilized to extract Co, Ni, Cu, Zn and Mn from cobalt-rich crusts. Both processes produced nanometer materials-ammonia leaching residue and acid leaching residue. A systematic study was conducted on the phase, composition and physicochemistry properties of these residues. The result shows that both residues contain a large amount of nanometer minerals. Ammonia leaching residue mainly consists of rhodochrosite, with the average grain diameter of 17.9 nm; whereas the acid leaching residue mainly consists of well-developed bassanite, with the average grain deameter of 9.5 nm. The bassanite also has a microporous structure, the volume of the pore space is 1.23×10-2 mL/g. Both the ammonia and acid leaching residues have a large specific surface area, and they display a strong adsorption capacity to saturate sodium chloride vapour, N2 and SO2. Both residues have high 展开更多
关键词 LEACHING residue NANOMETER mineral POLYMETALLIC nod-ules cobalt-rich crusts.
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Comparative studies on phosphate ore flotation collectors prepared by hogwash oil from different regions 被引量:5
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作者 Yu Huimei Wang Huajun Sun Chuanyao 《International Journal of Mining Science and Technology》 EI CSCD 2018年第3期453-459,共7页
In order to compare the differences between variations of phosphate ore flotation collectors prepared by hogwash oils, JZQ-F collectors were prepared by the hydrolysis method using four types of hogwash oils from diff... In order to compare the differences between variations of phosphate ore flotation collectors prepared by hogwash oils, JZQ-F collectors were prepared by the hydrolysis method using four types of hogwash oils from different regions in China. The components of the hogwash oils were determined using Fourier transform infrared spectroscopy(FIIR) spectra analysis, while the components of the JZQ-F were determined through gas chromatography–mass spectrometry(GC–MS). The flotation effects of the JZQ-F collectors were investigated by flotation experiments and the adsorption characteristics were determined through the quartz crystal microbalance(QCM-D). Results show that the JZQ-F collector from the Ordos area has 27.43% unsaturated fatty acids. JZQ-F collectors from Beijing, Qingdao, and Dongguan areas contain over 62% of unsaturated fatty acids, which can acquire phosphorous concentrates with a the grade of P_2O_5 above 31.96% and the recovery higher than 91.52%. These three collectors have a larger adsorption capacity, faster adsorption rate, and stronger adsorption structure on apatite surface, which contributed to a good adsorption performance and a favorable flotation effect. 展开更多
关键词 磷酸盐矿石 收集 菜油 厨房 FOURIER 吸附特征 水解作用
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Study on Modification and Test Technology of Nonexplosive and Irrestorable Fertilizer-grade Ammonium Nitrate 被引量:1
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作者 沈立晋 汪旭光 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2005年第9期1177-1181,共5页
基于铵硝酸盐的关系的研究(一) 爆炸和它的热稳定性,惰性的代理人被加到一因为消除爆炸特征一 and 以便是 irrestorable。使用实验和各种各样的测试技术的大数量的结果证明热稳定性上的改进修改一是为消除爆炸特征的基本原因一。修正... 基于铵硝酸盐的关系的研究(一) 爆炸和它的热稳定性,惰性的代理人被加到一因为消除爆炸特征一 and 以便是 irrestorable。使用实验和各种各样的测试技术的大数量的结果证明热稳定性上的改进修改一是为消除爆炸特征的基本原因一。修正计划被认为有下列特征:可靠、稳定的技术,要求市场的产品,低投资和好经济回来。并且在修理时期期间,一个愿望的正常生产没被影响,并且经济、社会、环境的好处好。 展开更多
关键词 火焰化学 爆炸理论 硝酸铵 爆炸物
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Energy basis of recognition of base pair for platinum-based antitumour drug ZD0473 and cisplatin
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作者 HAO Lan LI XiChen +2 位作者 TAN HongWei CHEN GuangJu JIA MuXin 《Science China Chemistry》 SCIE EI CAS 2008年第4期359-366,共8页
Platinum-based antitumour drug ZD0473 was designed to reduce the cisplatin resistance to the tumor cells. In this paper, the mixed method of molecular mechanics and quantum chemistry, HF/lanl2dz// MM/uff and B3LYP/lan... Platinum-based antitumour drug ZD0473 was designed to reduce the cisplatin resistance to the tumor cells. In this paper, the mixed method of molecular mechanics and quantum chemistry, HF/lanl2dz// MM/uff and B3LYP/lanl2dz//6-31G*, are used to investigate the differences between four types of GG, 3′AG5′, 3′GA5′, and AA complexes, which are formed from four discrete DNA fragments recognized by ZD0473 and cisplatin. The results show that the binding interaction of both ZD0473 and cisplatin drugs with the GG base pair is much stronger than with other base pairs, namely the recognition capability of such drugs to the GG base pair is more considerable. Moreover, the interaction of four complexes of ZD0473 with DNA fragments is stronger than that of cisplatin with corresponding DNA fragments, which indicates the stronger binding capability of ZD0473 with DNA fragments and high antitumour activity of ZD0473. The main reason for easier forming of 3′GA5′ complex than the 3′AG5′ one is that the drug molecule prefers to bind with a single G base to form a monoligand compound firstly; then the con- figuration transformation from such monoligand compound to the bi-ligand one is limited. 展开更多
关键词 ZD0473 MM/uff//HF/lanl2dz DNA FRAGMENT GG 3′AG5′ 3′GA5′
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