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Study on the two and three-parameter working stability regions of 3.-TZP suspension

Science china(Technological Sciences) 2006年第5期49卷 547-568页

作者： CHEN Youqiang1, 2. ZHANG Xinni3. CHEN Sha’ou3.& QI Ping3.1. department of chemistry, Qingdao University, Qingdao 2.6071,{2. {3., Tsinghua University, Beijing 100084,{2. 3. department of Physics, Qingdao University, Qingdao 2.6071,{2. 1. department of chemistry Qingdao University Qingdao 266071 China 2. department of chemistry Tsinghua University Beijing 100084 China 3. department of Physics Qingdao University Qingdao 266071 China

We determined the variation tendency of viscosity (η) at various solids load- ing (α) for 3.-TZP suspension as a function of dispersant concentration (Cw) using vis- cosity measurement, measured the diameter of particles as a function of Cw in very dilute suspension using light scattering method, and obtained the surface features of the sedi- ment of suspension with different Cw using SEM. We also discussed the influence of the microstructure of adsorbed polymer layers on particles and their interactions in the dis- persing medium on the stability of suspension. Then two different stable states and two different unstable states for 3.-TZP suspension were given. Accordingly, the (Cw, η), (Cw, α), and (α, η) two-parameter, and (Cw, α, η) three-parameter stability maps were con- structed. Based on the DLVO theory calculations, the dispersant concentration, particle distance (r), and interparticle potential energy (VT) maps with various solids loading for 3.-TZP aqueous suspension were also constructed. In (Cw, r) two-parameter coordinate system, the stable motion region map for particles was established. The Cw, α, and VT,max (the highest potential energy) surface of the potential barrier map was obtained through calculation and simulation on the basis of the surfaces of Cw, r, VT maps introduced above. The (Cw, α) two-parameter stability map was then obtained from the Cw, α, VT,max map. The results showed that this theoretical map can qualitatively prove the experimentally obtained results—the existence of different dispersed states of particles in suspension system and the variation tendency of suspension stability with changing each parame- ter—were reasonable.

关键词： 3.-TZP, suspension, stability, DLVO theory, interparticle potential energy.

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Mathematic Expression of Kinetic Compensation Effect and Relationship between the Exothermic Decomposition Temperature and Critical Temperature of Thermal Explosion of Eighty-six Energetic Materials

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含能材料 2001年第1期9卷 8-9页

作者： HU Rong zu 1, YANG De suo 2. ZHANG Jiao qiang 3. (1. department of chemistry,Northwest University, Xi′an 710065,{2. {3. and Chemical Engineering, Baoji College of Arts and Science, Baoji 72.007,{2. 3. department of 西北大学陕西西安 710065 宝鸡文理学院陕西 721007 西北工业大学陕西西安 710072

Two relationships are established using the least squares method,between the kinetic parameters (the apparent activation energy and pre exponential constant),and the exothermic decomposition temperature and ther... 详细信息

关键词： critical temperature of thermal explosion decomposition temperature DSC energetic materials.

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Congruences on ideal nil-extension of completely regular semigroups

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Chinese Science Bulletin 1998年第5期43卷 379-381页

作者： REN Xueming 1, 2.GUO Yuqi 2.and CEN Jiaping (Shum Kar-ping) 3.. department of Mathematics, Xi’an University of Architecture & Technology, Xi’an 710055,{3. 2. department of Mathematics, Yunnan University, Kunming 650091,{3. 3. department of department of Mathematics Xi’an University of Architecture & Technology Xi’an China department of Mathematics Yunnan University Kunming China department of Mathematics Chinese University of Hong Kong Hong Kong

Let S be an ideal nil-extension of a completely regular semigroup K by a nil semigroup Q with zero. A concept of admissible congruence pairs (δ,ω) of S is introduced, where δ and ω are a congruence on Q and a congruence on K respectively. It is proved that every congruence on S can be uniquely respresented by an admissible congruence pair (δ,ω) of S. Suppose that ρ K denotes the Rees congruence induced by the ideal K of S. Then it is shown that for any congruence σ on S,a mapping Γ:σ|→(σ Q,σ K) is an order-preserving bijection from the set of all congruences on S onto the set of all admissible congruence pairs of S,where σ K is the restriction of σ to K and σ Q=(σ∨ρ K)/ρ K. Moreover,the lattice of congruences of S is also discussed. As a special case,every congruence on completely Archimedean semigroups S is described by an admissible quarterple of S. The following question is asked: Is the lattice of congruences of the completely Archimedean semigroup a semimodular lattice?

关键词： completely regular semigroups ideal nil-extension congruences.

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Syntheses,characterization,crystal structure and magnetic properties of copper(Ⅱ) α,β-unsaturated carboxylate complexes with trimethyl phosphate

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Chinese Science Bulletin 2001年第12期46卷 987-991页

作者： WANG Yaoyu, LIU Ping, SHI Qian, GAO Yici & SHI Qizhen1. department of chemistry, Northwest University, Xi’an 710069,{2. {3., Wenzhou Teachers College, Wenzhou 3.2}003.{2. 3. department of chemistry, Lanzhou University, Lanzhou 73.000,{2. department of chemistry Northwest University Xi’an China department of chemistry Wenzhou Teachers College Wenzhou China department of chemistry Lanzhou University Lanzhou China

Two ternary complexes Cu2.4[OP(OCH3.3.2.(A represents CH2.CH-COO- and CH2.C(CH3.-COO-) have been synthesized, and elemental analyses, IR, ESR, electronic reflectance spectra and magnetic studies were carried out. The single crystal X-ray diffraction shows that Cu2.CH2.C(CH3.-COO]4[OP(OCH3.3.2.is triclinic, with space group P1, a = 1.0512.(13., b = 1.7559(5), c = 1.94479(3. nm, α =91.2.3.14)°,(β = 102.559(6)°,γ= 106.3.9(13.°, Z = 4 and R = 0.0668. Two copper(Ⅱ) atoms are bridged by four (a-methacrylate groups, and each copper(Ⅱ) atom is coordinated with a trimethyl phosphate molecule in the axial position, forming a distorted square pyramidal configuration. The symmetric center is between the two copper(Ⅱ) atoms, and the Cu-Cu bond distance is 0.2.098(6) nm. The Cu-Cu distance and magnetic studies suggest that there exist anti-ferromagnetic interactions between the two copper(Ⅱ) atoms.

关键词： copper(Ⅱ ) complex α β-unsaturated carboxylate trimethyl phosphate magnetic property crystal structure.

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Density functional study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine

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Science china chemistry 2006年第4期49卷 296-307页

作者： LI Ming1, ZHENG Wenxu2.& TIAN Anmin2.1. department of {3., Southwest-{2. Normal University, Chongqing 400715,{3. 2. department of chemistry, Sichuan University, Chengdu 610064,{3. 1. department of chemistry Southwest-China Normal University Chongqing 400715 China 2. department of chemistry Sichuan University Chengdu 610064 China

The enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine is discussed by the density functional theory (DFT) method. The main intermediates and transition states for this reaction are optimized completely at the B3.YP/6-3.g(d) level, and the transition states are verified by vibrational modes. As shown, the chirality-controlled steps for this re- action are the hydride transfer from borane to carbonyl carbon and oxime carbon of keto oxime ether, and the chirality for the reduced products is determined in these two reaction steps. In all examined reaction paths, the first hydride is transferred via a six-membered ring and the second hydride via a five-membered ring or a four-membered ring.

关键词： keto oxime ether, oxazaborolidine, enantioselective reduction, DFT.

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Surface effects of monolayer-protected gold nanoparticles on the redox reactions between ferricyanide and thiosulfate

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Science china chemistry 2005年第5期48卷 424-430页

作者： LI Di1, SUN Chunyan1, HUANG Yunjie1, LI Jinghong1,2.& CHEN Shaowei3.1. State Key Laboratory of Electroanalytical chemistry, Changchun Institute of Applied chemistry, Chinese Academy of Sciences, Changchun 13.02.,{2. {3., Tsinghua University, Beijing 100084,{2. 3. department of chemistry, University of California, Santa Cruz, Santa Cruz, CA 95064, USA 1. State Key Laboratory of Electroanalytical chemistry Changchun Institute of Applied chemistry Chinese Academy of Sciences 130022 Changchun China 2. department of chemistry Tsinghua University 100084 Beijing China 3. department of chemistry University of California 95064 Santa Cruz Santa Cruz CA USA

Electron transfer through the self-assembled monolayers (SAMs) on gold nanopar-ticles is investigated by using the monolayer protected gold nanoclusters (MPCs) as elec-tron-transfer mediators. 3.Mercaptopropionic acid (MPA) and 11-meraptoundecanoic acid (MUA) MPCs were employed to catalyze the redox reaction between potassium ferricyanide and sodium thiosulfate. The catalytic mechanism was proposed that the MPCs act as diffusing elec-tron-mediators and electron transfers to and from the MPCs surface. Therefore the electron transfer rate through the capping layers would be proportional to the MPCs catalyzed reaction rate, which was monitored by the UV absorbance of ferricyanide. The calculated apparent rate constant was orders of magnitude smaller than that of the maximum of tunneling current, which was attributed to the splited energy level of the nanoscale particles.

关键词： electron transfer, three-dimensional self-assembled monolayers, redox reaction, electron transfer mediator, surface effect.

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Simultaneously inducing synthesis of semiconductor selenium multi-armed nanorods and nanobars through bio-membrane bi-templates

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Science china chemistry 2004年第6期47卷 507-511页

作者： LI Li1, WU Qingsheng1 DING Yaping2.& LI Ping3.1. department of chemistry, Tongji University, Shanghai 2.0092.{2. {3., Shanghai University, Shanghai 2.043.,{2. 3. department of Food, Anhui Agricultural University, Hefei 2.003.,{2. 1. department of chemistry Tongji University 200092 Shanghai China 2. department of chemistry Shanghai University 200436 Shanghai China 3. department of Food Anhui Agricultural University 230036 Hefei China

Multi-armed nanorods and nanobars of semiconductor selenium were simultane- ously synthesized in the light of biomineralization process through bio-membrane bi-templates of rush at room temperature. The multi-armed nanorods are 60 nm in diameter and 1.5 μm in length; the nanobars are 150 nm in diameter and 1000—1100 nm in length. The XRD pattern indicates that these nanocrystals were crystallized in the hexagonal structure with lattice constants a = 0.43. nm, c = 0.495 nm. The possible formation mechanism was investigated.

关键词： selenium, multi-armed nanorods, nanobars, bio-membrane, bi-templates.

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Direct CP violation in hadronic B decays

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Science china(Physics,Mechanics & Astronomy) 2006年第3期49卷 357-366页

作者： HONG Bihai1,2.& Lü Caidian3.1. department of Physics, Lishui University, Lishui 3.0}000,{3. 2. department of Physics, Shanghai Jiaotong University, Shanghai 2.003.,{3. 3. Institute of High Energy Physics, Beijing 100049,{3. department of Physics Lishui University Lishui 323000 China department of Physics Shanghai Jiaotong University Shanghai 200030 China Institute of High Energy Physics Beijing 100049 China

There are different approaches for the hadronic B decay calculations, recently. In this paper, we upgrade three of them, namely factorization, QCD factorization and the perturbative QCD approach based on kT factorization, using new parameters and full wave functions. Although they get similar results for many of the branching ratios, the direct CP asymmetries predicted by them are different, which can be tested by recent experimental measurements of B factories.

关键词： CP violation hadronic B decay factorization.

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Morphology and electrical conductivity of PACS

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Journal of Environmental Sciences 2000年第3期12卷 319-324页

作者： GAO Bao\|yu\+1, LIU Zong\|gang\+2. YUE Qin\|yan\+3. ZHAO Hua\|zhang\+3.(1. department of Environmental Engineering, Shandong University, Jinan 2.0100,{3. 2. Environmental Monitoring Station of Huaiyin, Jinan 2.002.,{3. 3. department of Environ 山东大学山东济南 2 50 1 0 0 山东济南市槐荫区环境监测山东济南 2 50 0 2 2

Polyaluminium chlorides with sulfate ion(PACS) were prepared by using AlCl 3.6H 2., Al(SO 4) 3.18H 2. and Na 2.O 3.as raw materials. The effects of basicity ( r ), Al 3. /SO 4 2. molar ratio and aging time on the morphology of PACS were observed by transmission electrical microscope. The influence of aging time on charge neutralization and coagulation effect of PACS was studied. The effects of basicity ( r ), Al 3. /SO 4 2. molar ratio and aging time on the electrical conductivity of PACS solution were also investigated. The experimental results show that the degree of polymerization of polyaluminium chloride(PAC) increases when SO 4 2. ion is added. The higher the basicity( r ) and the longer the aging time, the larger the size of polymer PACS. The ability of PACS neutralizing the charge on Kaolinite decreases with the increase of aging time. The electrical conductivity of PACS solution(the concentration of Al 3. ion is 0.18 mol/L) with different aging time is the function of the basicity and Al 3. /SO 4 2. molar ratios and has its maximum at r =0.5 and Al 3. /SO 4 2. =12.

关键词： coagulant PACS morphology transmission electron microscope electrical conductivity coagulation

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A computer simulation of nucleation and growth of thin films

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Science china(Physics,Mechanics & Astronomy) 2004年第4期47卷 442-451页

作者： ZHENG Xiaoping1,ZHANG Peifeng2.HE Deyan2.LIU Jun2. MA Jiantai3.1. Key Laboratory of Opto-Electronic Technology and Intelligent Control, Ministry of Education, Lanzhou Jiaotong University, Lanzhou 73.070,{3. 2. School of Physical Science and Technology, Lanzhou University, Lanzhou 73.000,{3. 3. School of {2. and {2. Engineering, Lanzhou University, Lanzhou 73.000,{3. 1. Key Laboratory of Opto-Electronic Technology and Intelligent Control Ministry of Education Lanzhou Jiaotong University 730070 Lanzhou China 2. School of Physical Science and Technology Lanzhou University 730000 Lanzhou China 3. School of chemistry and chemistry Engineering Lanzhou University 730000 Lanzhou China

A three-dimensional kinetic Monte Carlo technique has been developed for simulating the nucleation and growth of thin films. This model involves incident atom attachment, surface diffusion of the atoms on the growing surface and atom detachment from the growing surface. It takes some new effects into account, such as a significant improvement in calculation of activation energy for the atom diffusion, which renders the model more reasonable. In addition three optimum temperatures and the consistency of their dependence on deposition rate have been found out; the dependence of the surface roughness and relative density on the deposition rate has been discussed; and the approximation of freezing neighbour atoms and periodic boundary conditions has been applied.

关键词： Monte Carlo, thin film, nucleation, surface roughness, relative density.

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