Transport properties of acetone aqueous solutions: molecular dynamics simulation and NMR studies

Two quantities η_rel and are applied to study the nonideal acetone–water association mixture. An all-atom acetone model and a TIP5P water model have been adopted for molecular dynamics simulation. We study the transport properties of the system comparing the 's of strong hydrogen bond and weak contact based on transport properties, MD simulations together with NMR experimental data and find good agreement of concentration dependence, which exhibits the cooperation effect.     

Novel,organosoluble, light‐colored fluorinated polyimides based on 2,2′‐bis(4‐amino‐2‐trifluoromethylphenoxy)biphenyl or 2,2′‐bis(4‐amino‐2‐trifluoromethylphenoxy)‐1,1′‐binaphthyl

Two series of fluorinated polyimides were prepared from 2,2′‐bis(4‐amino‐2‐trifluoromethylphenoxy)biphenyl ( 2 ) and 2,2′‐bis(4‐amino‐2‐trifluoromethylphenoxy)‐1,1′‐binaphthyl ( 4 ) with various aromatic dianhydrides via a conventional, two‐step procedure that included a ring‐opening polyaddition to give poly(amic acid)s, followed by chemical or thermal cyclodehydration. The inherent viscosities of the polyimides ranged from 0.54 to 0.73 and 0.19 to 0.36 dL/g, respectively. All the fluorinated polyimides were soluble in many polar organic solvents, such as N,N‐dimethylacetamide and N‐methylpyrrolidone, and afforded transparent and light‐colored films via solution‐casting. These polyimides showed glass‐transition temperatures in the ranges of 222–280 and 257–351 °C by DSC, softening temperatures in the range of 264–301 °C by thermomechanical analysis, and a decomposition temperature for 10% weight loss above 520 °C both in nitrogen and air atmospheres. The polyimides had low moisture absorptions of 0.23–0.58%, low dielectric constants of 2.84–3.61 at 10 kHz, and an ultraviolet–visible absorption cutoff wavelength at 351–434 nm. Copolyimides derived from the same dianhydrides with an equimolar mixture of 4,4′‐oxydianiline and diamine 2 or 4 were also prepared and characterized. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 2416–2431, 2004     

纳米KMn8O16粉体的室温固相合成与表征

室温或近室温固相反应要求绿色化、清洁化[1,2]。我们以KMnO4和MnCl2·4H2O为原料,用室温固相氧化还原反应制备氧化锰粉体时,得到了一种对H2O2分解具有较高催化活性的纳米KMn8O16粉体,用XRD、SEM、IR等技术对其进行了表征,发现研磨时间对粉体性能有显著影响。1　实验部分1 1　粉体的制备按摩尔比(2∶3)准确称取一定量的分析纯KMnO4和MnCl2·4H2O,分别置于玛瑙研钵中充分研细,再混合研磨,固相反应立即发生,体系颜色逐渐加深,并有刺激性气体产生,充分研磨后70℃恒温12h,固相产物依次经水洗至中性、醇洗、抽滤,真空干燥得黑色粉…     

Local approximations for maximum partial subgraph problem

We deal with MAXH₀-FREE PARTIAL SUBGRAPH. We mainly prove that 3-locally optimum solutions achieve approximation ratio (δ₀+1)/(B+2+ν₀), where B=max_v∈Vd_G(v), δ₀=min_v∈V(H0)d_H0(v) and ν₀=(|V(H₀)|+1)/δ₀. Next, we show that this ratio rises up to 3/(B+1) when H₀=K₃. Finally, we provide hardness results for MAXK₃-FREE PARTIAL SUBGRAPH.     

On a Generalized Cochrane Sum and Its Hybrid Mean Value Formula

The main purpose of this paper is to use a mean value theorem of Dirichlet L-functions to study the asymptotic property of a hybrid mean value of a generalized Cochrane sum, and give an interesting mean value formula.2000 Mathematics Subject Classification: Primary—11F20; Secondary—11F99     

四（对-羟基苯基）卟啉氧合配合物的室温固相合成，表征及氧合能力

采用固相反应合成了四羟基苯基卟啉与与Fe^2＋,Co^2＋金属离子的配合物,在室温下,将其与分子O2作用,提纯后得到两种固态氧合配合物．通过元素分析、红外光谱（IR）、核磁共振氢谱（^1HNMR）、电导、热分析（TG／DTA）、紫外光谱（UV）等测试手段确定了氧合配合物的组成为[Co·THPP·O2]（NO3）2·2H2O、[Fe·THPP·O2]Cl2·2H2O]，可知1mol配合物吸收了1molO2,采用失重法测定了氧合配合物中的配位氧,确定1mol金属配合物吸收1molO2形成超氧配合物．     

一类二元相关威布尔分布的可靠性问题

本文考虑生存函数为${\ol{F}(x_{1},x_{2})}=\exp\{-[(x_{1}^{1/\alpha}/\theta_{1})^{1/\delta}+(x_{2}^{1/\alpha}/\theta_{2})^{1/\delta}]^{\delta}\},\;x_{i}>0,\;\alpha>0$, $1\geq\delta>0,\;\theta_{i}>0\;(i=1,2)$的二元威布尔分布的两种可靠性问题, 提出可靠度$\pr$的估计并讨论了它们的渐近性, 最后还作了模拟计算.     

纳米颗粒悬浮液池内泡状沸腾的实验研究

本文对纳米颗粒悬浮液在平壁面上池内沸腾进行了实验研究。实验用的纳米粒子为26 nm的铁粉和13 nm的三氧化二铝纳米粉末,基液为去离子水。分别配成体积浓度为0．1％, 1％和2％的悬浮液。实验结果表明,纳米悬浮颗粒对液体沸腾换热过程的影响会随着纳米颗粒性质,颗粒浓度及热流密度大小的不同而出现不同的效果;加入纳米颗粒后, 对基液沸腾换热的影响存在着两个相反的作用机制,它们分别为:纳米颗粒增强了液体内部的热量迁移能力(热物性的影响)和改变了加热面的表面结构特性(加热面特性的影响)。     

q变形对相干态的相位概率分布特性

通过推广Pegg和Barnett的相位算符和相位态到q变形的双模情况, 应用数值计算 研究了q变形对相干态的相位概率分布特性. 结果表明, q变形对相干态的相位概率分布受到相位参数、q参数和参数│ξ│的调节, 从而反映出不同的量子相干特性.     

功能性丙烯酸/MBAM体系共聚产物的研制

以丙烯酸和MBAM为主要原料，经聚合，合成了一种高性能的具有良好保水性能的聚合产物，其保水量达到750～1000倍．50℃以下有良好的保水性能，28℃以下有极好的保水性能，并研究了工艺条件对该产品性能的影响因素．