离子液体[BMP][Tf2N]基本物性的实验研究

针对离子液体[BMP] [Tf_2N]的物性数据缺乏的问题,本文在101.325 KPa下对[BMP] [Tf_2N]在温度范围为278.15～338.15 K的黏度和温度范围为298.15～338.15 K的密度、电导率进行了实验测定,结果表明:黏度、密度和电导率均受温度的影响较大,当压力一定时,[BMP] [Tf_2N]的黏度、密度随温度的升高而减小;而电导率随温度的升高而增大;通过选择分别用Arrhenius方程、自然对数方程和VFT方程关联[BMP] [Tf_2N]的黏度、密度和电导率;结果表明:模型值与实验值的最大相对误差和平均相对误差分别是2.25%和0.94%;5.74%和5.399;4.41%和4.24%。     

离子液体[EMIm]Ac比热容、导热系数及黏度的研究

本文通过实验研究,测定在一定温度范围内,离子液体[EMIm]Ac及摩尔分数分别为0.8、0.6、0.4和0.2的[EMIm]Ac水溶液的比热容、导热系数及黏度。实验结果表明:比热容和黏度受温度影响较大,比热容随温度升高而增大;黏度随温度升高而急剧减小;导热系数受温度影响较小;添加水后,随着水含量的增加即水溶液摩尔分数的减小,比热容增大,相比于纯离子液体,比热容最高增加70%;导热系数最高增加35%;其黏度急剧减小,最高减小82%。本文的研究结果为[EMIm]Ac及其水溶液在吸收式制冷方面的应用研究提供了可靠的数据。     

温度对吡啶离子液体性质影响的分子动力学模拟研究

运用分子动力学模拟方法研究了温度对三种吡啶离子液体[BPy][BF_4]、[HPy][BF_4]、[OPy][BF_4]热力学性质的影响,得到了每个体系的密度、自扩散系数、电导率和黏度等.研究结果表明:随着温度升高,同一种离子液体的密度减小,阴阳离子的自扩散系数明显增大,电导率升高,而黏度降低.在同一温度下,随着阳离子上烷基链的增长,离子液体的密度减小,但热力学性质的变化规律并不完全同步.烷基链长最短的[BPy][BF_4]的自扩散系数和电导率在每个温度下均为最大,而黏度最小;但烷基碳链更长的[OPy][BF_4]和[HPy][BF_4]的各种性质相差不大,甚至当温度大于323 K时,烷基链较长的[OPy][BF_4]的自扩散系数比[HPy][BF_4]的大.     

温度对吡啶离子液体性质影响的分子动力学模拟研究

运用分子动力学模拟方法研究了温度对三种吡啶离子液体[BPy][BF4]、[HPy][BF4]、[OPy][BF4]热力学性质的影响, 得到了每个体系的密度、自扩散系数、电导率和黏度等. 研究结果表明: 随着温度升高, 同一种离子液体的密度减小, 阴阳离子的自扩散系数明显增大, 电导率升高, 而黏度降低. 在同一温度下, 随着阳离子上烷基链的增长, 离子液体的密度减小, 但热力学性质的变化规律并不完全同步. 烷基链长最短的[BPy][BF4]的自扩散系数和电导率在每个温度下均为最大, 而黏度最小; 但烷基碳链更长的[OPy][BF4]和[HPy][BF4]的各种性质相差不大,甚至当温度大于323K时, 烷基链较长的[OPy][BF4]的自扩散系数比[HPy][BF4]的大.     

ICP等离子体鞘层附近区域发光光谱特性分析

为了独立控制鞘层附近区域离子密度和离子能最分布,采用光发射谱(OES)测量技术,对不同射频功率、放电气压和基底偏压下感应耦合等离子体鞘层附近区域辉光特性进行了研究.原子谱线和离子谱线特性分析表明,在鞘层附近区域感应耦合等离子体具有较高的离子密度和较低的电子温度.改变放电气压和射频功率,对得到的光谱特性分析表明,鞘层附近区域离子密度随射频功率的增大而线性增大,在低压下随气压的升高而增大.低激发电位原子谱线强度增加迅速,高激发电位原子谱线强度增加缓慢,而离子谱线强度增加很不明显.改变基底直流偏压,对得到的发射光谱强度变化分析表明,谱线强度随基底正偏压的增加而增大.随着基底负偏压的加入,谱线强度先减小而后增大;直流偏压为-30 V时,光谱强度最弱.快速离子和电子是引起Ar激发和电离过程的主要能量来源.     

液体-液体相变与反常特性

绝大多数物质的液态密度随温度降低而增大,即常见的热胀冷缩现象.但存在一类物质,如水及第四主族的硅、锗等,其液态密度在一定温度范围内随温度的升高而增大,即密度反常现象.此外,该类物质还存在动力学反常(密度越大粒子运动越快)、热力学反常(热力学量的涨落随温度降低而升高)等其他反常特性.这类材料的化学性质千差万别,但却具有相似的物理反常特性.进一步的理论研究发现部分材料具有两种液态,即高密度液态和低密度液态,两者之间存在一级相变.因此,反常特性与液体-液体相变是否有直接关联是一个值得深入研究的课题.本文主要介绍了具有液体-液体相变的一类材料及其反常特性,包括高温高压下氢的液体-液体相变及其超临界现象,镓的反常特性及其与液体-液体相变的关联等.     

超临界水中硫酸钠结晶动力学的分子动力学模拟

在超临界水反应器中，硫酸钠是易造成堵塞的一种常见无机盐，研究其结晶动力学对于防盐沉积反应器的设计具有重要意义.本文采用LAMMPS分子动力学模拟软件研究硫酸钠在超临界水中的微观结晶过程，其中水分子采用SPC/E模型，离子-离子、离子-水分子相互作用采用Coulumb和Lennard-Jones联合势能函数.结果表明：水对离子的静电屏蔽作用随温度升高而增强、随密度减小而减弱；增大超临界水的温度和密度有利于离子扩散，进而促进离子相互碰撞、成核；在模拟的超临界水参数范围内，其成核速率的数量级为10²⁹cm^-3·s^-1，生长速率为(19.8~25.8) m·s^-1.     

超临界水中硫酸钠结晶动力学的分子动力学模拟（英文）

在超临界水反应器中,硫酸钠是易造成堵塞的一种常见无机盐,研究其结晶动力学对于防盐沉积反应器的设计具有重要意义.本文采用LAMMPS分子动力学模拟软件研究硫酸钠在超临界水中的微观结晶过程,其中水分子采用SPC/E模型,离子-离子、离子-水分子相互作用采用Coulumb和Lennard-Jones联合势能函数.结果表明:水对离子的静电屏蔽作用随温度升高而增强、随密度减小而减弱;增大超临界水的温度和密度有利于离子扩散,进而促进离子相互碰撞、成核;在模拟的超临界水参数范围内,其成核速率的数量级为10~(29)cm~(-3)·s~(-1),生长速率为(19.8～25.8) m·s~(-1).     

液体工质对气液热声发动机性能影响的实验研究

采用气液耦合振动是降低热声发动机谐振频率和提升其压力振幅的一种有效途径。为了研究液体工质对于气液热声发动机性能的影响,本文针对水、室温离子液体[EMIM][BF₄]、20%氯化钾溶液、40%和50%甲酸钾溶液五种液体工质进行了实验研究和分析。实验数据显示,在相同加热功率下,采用50%甲酸钾溶液时系统谐振频率最低,而水工质对应的谐振频率最高;40%甲酸钾溶液的压力振幅最大,而采用离子液体[EMIM][BF4]时系统压力振幅最小。研究结果表明:采用密度较大的液体工质可获得较低的谐振频率,而密度大、黏度小的液体工质则有利于获得更大的压力振幅。     

影响单摆振动周期的参数研究

应用振动分析的方法,研究了单摆的周期受摆角、摆球的线度、地球纬度、摆球离地面的高度、介质黏度和介质密度参数的影响;作出了周期比随参数变化的曲线.结果表明:单摆的周期随摆角、摆球的线度、摆球离地面的高度、介质黏度和介质密度的增大而增大,随地球纬度的增大而减小.     

EMIMAC和HMIMCl及其水溶液热力学特性实验研究

离子液体+水作为吸收式制冷工质对具有诸多优点,其热力学性质是衡量工质对优劣及热力学计算的重要基础数据.本文研究两种水溶性离子液体EMIMAC和HMIMCl及其水溶液的热力学性质,主要对这两种离子液体及其水溶液的密度和比热进行测定.密度测试采用比重天平,比热测试采用耐驰DSC204HP低温高压差热仪,测试精度较高且测试系统稳定可靠.密度实验测试的温度范围为298.15～393.15K,比热实验测试温度范围为283.15～413.15K,测试的离子液体摩尔浓度分别为1,0.8,0.6,0.4,0.2,0.研究结果为这两种离子液体的吸收式制冷应用提供了可靠的热物性数据.     

离子液体[BMIM][BF_4]水溶液比热容及热工特性分析

离子液体在化工和能源领域应用研究中,其比热及热工特性尤为重要,然而目前相关的比热数据较缺乏.研究主要对离子液体[BMIM][BF4]及其水溶液的比热容进行了测定.测试系统采用耐驰DSC204HP低温高压差热仪,测试精度较高且稳定可靠.实验测试的温度范围为273.15K~423.15K,测试的离子液体摩尔浓度分别为1.0...     

Microleakage and antibacterial properties of ZnO and ZnO:Ag nanopowders prepared via a sol–gel method for endodontic sealer application

A novel method, recently proved useful for the synthesis of nanoparticles, has been now used for the preparation of very stable silver iodide–trihexyl(tetradecyl)phosphonium chloride ionanofluids. Only the ionic liquid and the AgI bulk powder were needed. Synthesized nanofluids are much more stable than those obtained by simple dispersion of the nanoparticles in the base fluid. The ionanofluids were synthesized at different concentrations (up to 50 % w/w) and characterized in terms of physical, electrical, and thermal properties (density, viscosity, refractive index, electric conductivity, and specific heat capacity). A very high increase in the electric conductivity of the base ionic liquid was expected due to the high concentration of nanoparticles achieved. Nonetheless, it was not found, probably due to the reduction of ions mobility caused by the increase of the viscosity in ionanofluids with concentrations over 20 % w/w. An appropriate characterization of nanoparticles composing the nanofluids was carried out (UV–Vis absorbance, shape and size distribution). The diameter of the particles was measured and calculated by different techniques and approximations, obtaining a value of 2–4 nm. They were spherical, well-defined, and not agglomerated, with a narrow size distribution. The X-ray powder diffraction confirmed that no structural change took place in the transformation of the bulk solid to nanoparticles.     

非简谐振动对SiC类石墨烯热输运性质的影响

考虑到原子的非简谐振动,应用固体物理理论和方法,计算了SiC类石墨烯的简谐系数和非简谐系数,得到它的德拜温度、热容量和热导率等随温度的变化规律,探讨了原子非简谐振动对它的热输运性质的影响.结果表明:SiC类石墨烯的德拜温度随温度的升高而在117-126 K之间线性增大,定容比热随温度升高而非线性增大,热导率随温度升高而非线性减小,温度较低时变化较快,而温度较高时变化较慢,并随着温度升高而趋于常量;考虑到非简谐振动后,SiC类石墨烯的德拜温度、定容比热和热导率的值分别大于、小于和大于简谐近似的相应值,温度愈高,其差值愈大,即温度愈高,非简谐效应的影响愈显著;二维平面状的SiC类石墨烯的定容比热和热导率随温度的变化规律,与三维块状SiC晶体总体趋势相同,只是具体数值不同.     

Low-temperature vibrational properties of tin nanoparticles in porous glass

The heat capacity has been studied in the temperature range 2.2–40 K and in magnetic fields up to 2 T in tin, which has been embedded in nanometer-size pores in glass having diameter ∼7 nm, in bulk tin and in glass with empty pores. Comparison of the properties of tin nanoparticles and bulk tin has been performed. An increase in the coefficient of electronic heat capacity has been found in nanostructured tin as compared with the bulk tin, and also a considerable deviation of the low-temperature lattice heat capacity from the Debye law in the temperature region T > 3 K has been found. The fact that the density of thermal vibrations in nanocrystalline tin for low energies is higher than in bulk tin has been established using low-temperature heat capacity data.     

Effect of structural relaxation on the low temperature thermal properties of the superconducting amorphous alloy Zr .76Ni 0.24

We have measured the low temperature (from 50 mK up to 5 K) specific heat and thermal conductivity of an amorphous ZrNi superconducting alloy as sputtered and after annealing in the amorphous state. We observe after annealing a decrease of the specific heat anomaly below 0.5 K together with an increase of the thermal conductivity. These variations are in agreement with a decrease of the density of two-level systems (T.L.S.) due to the structural relaxation.     

Comment on the low temperature specific heat of ferroelectrics,antiferroelectrics, and related materials

Lawless has reported accurate, low temperature (2–30°K) specific heat measurements (C_Exp) of a large number of ferroelectrics, antiferroelectrics, and related materials. A plot of C_Exp T^?3 vs. T (T is temperature) reveals an “excess’ specific heat in the 10–30K range. Lawless has interpreted and fit this excess heat with an Einstein term determining the number of oscillators and the Einstein frequence for each material. He has related these large number of extra oscillators to modes observed in some Raman experiments. Using a more realistic density of states, we suggest that the experimental data can be understood in terms of straightforward harmonic lattice dynamics and that there are no extra modes. The “extra” heat capacity merely arises from the differences between the more realistic density of states and that of a Debye solid.     

铜银合金比热的分子动力学模拟

本文采用嵌入原子模型对铜银合金的比热进行了分子动力学模拟，得到了铜银合金从深过冷态到熔点以上温度范围内的比热以及比热随温度的变化规律，并从内聚能的角度分析了铜银合金比热与温度的关系。与已有的铜镍合金的比热随温度变化规律的报道不同，本文的模拟结果和理论分析表明铜银合金的比热在 ８００ Ｋ～１９００ Ｋ的温度范围内基本为一恒值，其过冷液态下的比热可由熔点以上的比热外推得到。     

On calculation of the transport coefficients and thermodynamic properties of a helium-xenon gas mixture

Calculation and experimental investigations of the transport coefficients and thermodynamic properties of a helium-xenonmixture are reviewed. It seems that a combination of approaches of the Chapman-Enskog kinetic theory and the theory of corresponding states of dense gas is most promising. This combined approach results in semiempirical relationships for calculating the density, coefficient of dynamic viscosity, thermal conductivity coefficient, specific heat capacity at constant pressure, and specific heat capacity at constant volume. These relationships consider the influence of the temperature and pressure, and also the ratio of mixture components. For a fixed ratio of mixture components, the calculation algorithms constructed by the authors with the use of such semiempirical relationships are in good agreement with the engineering calculation procedure in which the influence of mixture components is not considered, whereas the influence of temperature and pressure is considered by simple formulas in a form of polynomials.     

双温度氩-氮等离子体热力学和输运性质计算

获得覆盖较宽温度和压力范围内的等离子体热力学和输运性质是开展等离子体传热和流动过程数值模拟的必要条件.本文通过联立Saha方程、道尔顿分压定律以及电荷准中性条件求解等离子体组分;采用理想气体动力学理论计算等离子体热力学性质;基于Chapman-Enskog方法求解等离子体输运性质.利用上述方法计算了压力为0.1, 1.0和10.0 atm (1 atm=101325 Pa),电子温度在300—30000 K范围内,非局域热力学平衡(电子温度不等于重粒子温度)条件下氩-氮等离子体的热力学和输运性质.结果表明压力和非平衡度会影响等离子体中各化学反应过程,从而对氩-氮等离子体的热力学及输运性质有较大的影响.在局域热力学平衡条件下,计算获得的氩-氮等离子体输运性质和文献报道的数据符合良好.