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Structures and stability of isomers of[C,N,N,P]system

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Science china Chemistry 2005年第5期48卷 415-423页

作者： KAN Wei1,2, ZHONG Hua1, YU Haitao1, FU Honggang1,3.& SUN Jiazhong1,3.1. school of Chemistry and Materials Science, Heilongjiang university, Harbin 150080, china 2. school of Chemistry and Chemical Engineering, Qiqihar university, Qiqihar 161006, china 3. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin university, Changchun 13.023. china 1. school of Chemistry and Materials Science Heilongjiang University 150080 Harbin China 2. school of Chemistry and Chemical Engineering Qiqihar University 161006 Qiqihar China 3. Jilin university State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry 130023 Changchun China

Nine isomers, twenty transition states, and some relative dissociation fragments of [C,N,N,P] system were located at the B3.YP/6-3.1G(d) and QCISD(t)/6-3.1+G(2df) (single-point) levels of theory, and the isomerization, structures, and stability of these obtained isomers were suggested. The results indicate that four nonlinear chainlike isomers NCNP, NCPN, CNPN, and CNNP with 2A′ electronic state are kinetically stable. Other isomers are kinetically unstable to-wards isomerization or dissociation because of the corresponding smaller reaction barriers. Furthermore, calculated vibrational frequencies, rotational constants, dipole moments, the first adiabatic ionization energies, and adiabatic electron affinities of the four isomers may provide some theoretical information that is helpful for identifying their existence in future laboratory and interstellar investigations. The results are also compared with [Si,N,N,P] system.

关键词： potential energy surface, [C,N,N,P] system, isomerization, kinetic stability.

Adsorption of surfactants onto acrylic ester resins with different pore size distribution

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Science china Chemistry 2006年第5期49卷 445-453页

作者： YANG Weiben1,2,3.LI Aimin1,3.CAI Jianguo1,3.MENG Guanhua1,3.& ZHANG Quanxing1,3.1. State Key Laboratory of Pollution Control and Resource Reuse,school of the Environment,Nanjing university,Nanjing 210093.china 2. Nanjing College of Chemical Technology,Nanjing 210048,china 3. Jiangsu Engineering & Technology Research Center for Organic Toxicant Control and Resource Reuse,Nanjing 21003.,china 1. State Key Laboratory of Pollution Control and Resource Reuse School of the Environment Nanjing University Nanjing 210093 China 2. Nanjing College of Chemical Technology Nanjing 210048 China 3. Jiangsu Engineering & Technology Research Center for Organic Toxicant Control and Resource Reuse Nanjing 210038 China

In this study, a series of acrylic ester resins with different pore size distribution were prepared successfully by varying the type and the amount of pore-forming agents. In order to inves-tigate the adsorption behavior and mechanism of surfactants on acrylic ester resins, three kinds of surfactants were utilized as adsorbates that were sodium 6-dodecyl benzenesulfonate (6-NaDBS), sodium 1-dodecyl benzene sulfonate (1-NaDBS) and sodium 1-dodecyl sulfonate, respectively. It was observed that the surface area was available in a particular pore size and an appropriate pore size of resins appeared to be more important for the adsorption of surfactants. As compared to commercial acrylic ester resins XAD-7 and HP2MG, 50# and 3.# resins exhibited more excellent adsorption properties toward 1-NaDBS and 6-NaDBS. The experimental equilibrium data were fitted to the Langmuir, and double-Langmuir models. Two models provided very good fittings for all resins over the temperature range studied. The investigation indicated that electrostatic attraction and hydrogen bond between resins and surfactants were the main forces and had an obvious effect on adsorption proc-ess.

关键词： acrylic ester resin, surfactant, adsorption, pore size distribution, isotherm.

On the siltation of the middle yangtze River

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Science china Earth Sciences 2004年第5期47卷 463-480页

作者： YIN Hongfu1, CHEN Guojin2, LI Chang抋n1 & WEI Yuan3.1. school of Earth Sciences, china university of Geosciences, Wuhan 43.074, china 2. Hydrogeological Team, Hubei Bureau of Geology and Mineral Resources, Jingzhou 43.100, china 3. Geological Survey of Jiangxi Province, Nanchang 3.0201, china china Univ Geosci Sch Earth Sci Wuhan 430074 Peoples R China Hubei Bur Geol & Mineral Resources Hydrogeol Team Jinzhou 434100 Peoples R China Geol Survey Jiangxi Province Nanchang 3300201 Peoples R China

About 5.2×108 t/a of silts from the upper reach of the yangtze River are transported through Yichang into the middle yangtze River. The middle yangtze itself and its tributaries yield ca. 0.8×108 t silts annually. Of this total 6×108 t/a input of silts, ca. 1.2×108 t/a are deposited within the river artery and lakes, while ca 4.83.108 t/a are at first transported into the lower reach through Datong, and then either deposited along the river and the yangtze Delta, or output into the sea. Along the middle yangtze River silting generally exceeds scouring, but the spatial and temporal distributions of scour-and-fill, as well as its distribution in the river valley transections, are uneven. Along the Yichang-Chenglingji and Jiujiang-Datong Segments of the middle yangtze, scouring exceeds or equals silting. Silting mainly occurs along the Luoshan-Wuhan-Huangshi Segments with Wuhan as the pivotal point, as well as in the Dongting and Poyang Lakes. Even in these silting-dominated areas, there are times and parts of segments that scouring prevails. As to the transections, generally the river channel of main stream is scouring-dominated, forming V-shaped sections to a depth of 203. m or more, whereas the floodplains and bar islands are silting-dominated, forming wide and relatively high flats, which are often artificially transformed into protected embankments. Because the Jingjiang Levee separates the Jianghan Plain from yangtze to the south, little has been deposited in that plain except a few sediments from the Han River—a tributary of the middle yangtze. This factor plus the tectonic sag of that plain has made the altitude of plain surface several meters lower than that of the levee in most of the areas. Sil-tation along the Luoshan-Wuhan-Huangshi Segments has resulted in the elevation of flood level in this and upstream segments. River channel scouring plus floodplain silting have caused the transections of the middle yangtze valley typically with deep channel and height

关键词： the middle yangtze, scour-and-fill, siltation, silt utilization.

Study on the electric double layer of a cylindrical reverse micelle with functional theoretical approach

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Science china Chemistry 2006年第3期49卷 219-224页

作者： WANG Zhengwu1,2, GUO Baomin2, ZHANG Gexin1 & YU Huixin1 1. Key Laboratory of Industrial biotechnology of Ministry of Education, southern yangtze university, Wuxi 21403., china 2. {3. of Chemical and Material Engineering, southern yangtze university, Wuxi 21403., china 1. Key Laboratory of Industrial biotechnology of Ministry of Education Southern Yangtze University Wuxi 214036 China 2. school of Chemical and Material Engineering Southern Yangtze University Wuxi 214036 China

The iterative method in functional analysis is applied to looking for asolution of the Poisson-Boltzmann equation in order to describe the problems of the distribution ofthe potentials in the electric double layer (EDL) inside the water pool for a cylindrical inversemicelle. Potentials as a function of the position of a particular point in EDL are computed, whichdisplay a quantitative agreement with those from earlier calculation of Debye and Huckel in the caseof low potentials. But it is also shown that in the higher-potential range the iterativecalculations can give more accurate results. These results indicate the utility of this functionalanalysis technique in the description of the properties of EDL for a cylindrical inverse micelle.

关键词： cylindrical reverse micelle, electrostatic double layer, Poisson-Boltzmann equation, functional analytic theory.

Effects of binders on the performance of electric double-layer capacitors of carbon nanotube electrodes

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Progress in Natural Science:Materials International 2005年第5期15卷 453-457页

作者： LI Chensha1*, WANG Dazhi1, ZHANG Baoyou2, WANG Xiaofeng1, CAO Maosheng3. and LIANG Ji1(1. Department of Mechanical Engineering, Tsinghua university, Beijing 100084, china 2. Center for Analysis and Measurement, Harbin Institute of Technology, Harbin 150001, china 3. {3. of Material Science and Engineering, Tsinghua university, Beijing 100084, china) Department of Mechanical Engineering Tsinghua University Beijing 100084 China Center for Analysis and Measurement Harbin Institute of Technology Harbin 150001 China school of Material Science and Engineering Tsinghua University Beijing 100084 China

Polarizable electrodes of electric double layer capacitor (EDLCs) were made from carbon nanotubes. Effects of different binders, which are phenolic resin (PF) and polytetrafluoroethylene (PTFE), on the properties of polarizable electrodes are studied. Results indicate that the microstructure, pore size distribution and specific capacitance of the electrodes with PTFE binder are superior to those electrodes with PF binder after carbonization. The suitable binder (PTFE) for carbon nanotubes electrodes is proposed.

关键词： carbon nanotubes electric double-layer capacitors phenolic resin polytetrafluoroethylene.

Thermodynamic Analysis of the Preparation Process of EB-PVD SiC Coating

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Journal of Wuhan university of Technology(Materials Science) 2009年第3期24卷 363-366页

作者：易剑 school of Mechatronics Engineering Taizhou University Laser Processing Center Tianjin Polytechnic University Center for Composite Materials Harbin Institute of Technology

The process of preparing SiC coating by electron beam-physical vapor deposition （EB-PVD） was discussed from viewpoint of thermodynamis. Results show that within the temperature range of 2 700-3.3.0 K, the ratio of SiC in the SiC coating doesn＇t change much and keeps around 0.7. Purity of the as-deposited SiC coating is not high. To improve the purity of the SiC coating, the SiC ingot is required to not be, necessary in full density but be fine-grained.

关键词： thermodynamics SiC coating EB-PVD ratio of SiC purity

Construction and application of formal ontology for mine

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中国有色金属学会会刊：英文版 2011年第S3期21卷 577-582页

作者： CHENG Gang 1, 2, ZHANG Yin-ling1, 2, WANG Fei 1 ,2, ZHANG Zhen-hui 3. GUO Yu-xiang1, 2 1. Key Laboratory of Mine Spatial Information Technologies of State Bureau of Surveying and Mapping, Henan Polytechnic university, Jiaozuo 454003. china 2. school of Surveying and land Information Engineering, Henan Polytechnic university, Jiaozuo 454003. china 3. Qingdao Branch of Naval Aeronautical Engineering Institute, Qingdao 266041, china Henan Polytech Univ Key Lab Mine Spatial Informat Technol State Bur Surveying & Mapping Jiaozuo 454003 Peoples R China Henan Polytech Univ Sch Surveying & Land Informat Engn Jiaozuo 454003 Peoples R China Naval Aeronaut Engn Inst Qingdao Branch Qingdao 266041 Peoples R China

Digital mine is the only way for the development of mining industry in china. Due to lack of appropriate standards and norms, and different awareness in the field of digital mine among academia and industry insiders, the meaning for digital mine is still unclear. Starting from the nature of mining and removing of views of specialized fields, this paper constructs formal ontology for digital mine and proposes the four levels for it. The ontology clarifies the concept world for digital mine, defines the meaning of concepts and relations clearly, provides a reference for the standard construction for digital mine and provides a unified semantic framework for the integration of heterogeneous mine data. Meanwhile, it can provide formal reasoning knowledge for expert system of digital mine and improve the intelligence and automation while the machine automatically interpreting and processing mine spatial data.

关键词： Digital mine formalization ontology concept world semantic share

Spatiotemporal model of open-pit based on 3.D deposit model

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中国有色金属学会会刊：英文版 2011年第S3期21卷 616-620页

作者： XIA Chun-lin1, ZHOU Hui1, LI Qing-yuan2, MA Zhen-li3.1. school of Geomatics, Liaoning Technical university, Fuxin 123.00, china 2. State Key Laboratory for GIS Engineering, Chinese Academy of Surveying and Mapping, Beijing 10083., china 3. Yinchuan College, china university of Mining and Technology, Yinchuan 750011, china [a] school of Geomatics Liaoning Technical University Fuxin 123000 China [b] State Key Laboratory for GIS Engineering Chinese Academy of Surveying and Mapping Beijing 100830 China [c] Yinchuan College China University of Mining and Technology Yinchuan 750011 China

A new method was put forward to make up the three-dimensional deposit model, and the spatiotemporal models of open-pit with temporal dynamics were also studied combined with the corrected models of multilevel ground states so as to bring the three-dimensional open-pit model at different time and its model serial formed from the evolvement into the management of temporal dimension in order to realize the spatial three-dimension and temporal dynamic for the mining management in open-pits,which makes this model easy to query and analyze 3.D information, also help surface mining replaying and stope evolution forecasting. Finally, the time-spatial model was established to show the dynamic mining on some open-pit under the windows XP and VC++ environment.

关键词： 3. model of deposit three-dimensional model mixed model temporal model open-pit

Characteristics and origins of primary fluids and noble gases in mantle-derived minerals from the Yishu area,Shandong Province,china

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Science china Earth Sciences 2006年第1期49卷 77-87页

作者： MA Jinlong1,2, TAO Mingxin2,3.& YE Xianren2 1. Resources and Environmental school, Lanzhou university, Lanzhou 73.000, china 2. Key Laboratory of Gas Geochemistry, Institute of Geology and Geophysics, Chinese Academy of Sciences, Lanzhou 73.000, china 3. College of Resources Science & Technology, Beijing Normal university, Beijing 100875, china 1. Resources and Environmental school Lanzhou University Lanzhou 730000 China 2. Key Laboratory of Gas Geochemistry Institute of Geology and Geophysics Chinese Academy of Sciences Lanzhou 730000 China 3. College of Resources Science & Technology Beijing Normal University Beijing 100875 China

Fluids and noble gases of mantle-derived materials are important tracers forthe mantle information. Compositions of primary fluids and noble gases in mantle-derived mineralsfrom the Yishu area, Shandong Province, china, were tested by the methods of heat-bursting andheat-melting respectively. The fluids are mainly composed of CO_2, CO and H_2, which account forabout 90% of the total, and are similar to the mantle-derived rocks from other areas of easternchina; ratios of ~3.e/~4He in almost all samples range from 0.82 Ra to 2.74 Ra, whereas^(40)Ar/^(3.)Ar from 299.5 to 758.8. Both ranges are much lower than those of the typical oceanmantle-derived samples (such as MORB) and primarily reflect the influences of the atmosphericcomponents and the radiogenic isotopes. Ratios of C/~3.e range from 27.6 x 10~9 to 1050 x 10~9,N_2/Ar from 927 to 56612, and N_2/~3.e from 2.5 x 10~9 to 27 x 10~9, similar to those in westernUnited States and New Zealand which belong to the tectonic plate collision regions. The ratios fallin the intersect of mantle-crust-atmosphere in the comprehensive tracer-charts, reflecting theinfluences of the atmosphere and the crusts with organic components. Our results suggest that thecomposition of the primary fluids and the isotopic ratios of the noble gases may either reflect theevolution process of mantle-derived rocks connected with the rise and eruption of magma, or theinfluence of the ancient subduction-plate on the continental mantle of this region.

关键词： noble gases, primary fluids, mantle-derived minerals, Yishu area.