混合物物态方程的计算

 在采用体积相加原理计算混合物物态方程的基础上,建立了一种物理模型确定混合物温度。根据混合物中各组分温度和压强平衡条件,采用压强-密度迭代方法计算给出混合物物态方程,编制了两种组分的混合物物态方程计算程序。为检验建立的温度模型的合理性及程序的有效性,分析了不同密度、温度状态的氢（H2）和钨（W）组成的混合物状态参量,计算了以下情形及其组合情形的混合物物态方程：H₂和W以不同质量比混合;质量比固定,单组分状态不同;温度区间和密度区间不同。研究表明:实际应用中在建立的混合物温度模型基础上确定的混合物物态方程是合理的。     

一种危险液体混合物的拉曼光谱定性定量识别方法

危险液体混合物的拉曼光谱定性定量分析一直是现场应用难点,为解决该问题,分析了多种物质混合后拉曼光谱的峰位、峰值、峰型变化情况,选取拉曼光谱关键特征峰进行数学简化,构建了从混合物物质成分到混合物拉曼光谱的映射关系,该映射关系描述多种物质成分混合的混合物拉曼特征峰响应只和混合物中各成分本身拉曼特征峰响应以及各物质成分混合比例有关,各物质成分按混合比例贡献拉曼特征谱峰,共同形成最终的混合物拉曼光谱。由该映射关系求逆,可实现从采集到的混合物拉曼光谱计算出各物质成分的混合比例。基于此,设计了危险液体混合物成分定性定量识别方法,主要方法步骤包括,首先进行拉曼光谱数据采集,然后进行拉曼光谱数据处理并获得拉曼特征峰,再进行测试样品与数据谱库标准品的正反向特征峰匹配,如果正反向特征峰匹配系数都比较高,在满足一定阈值条件下,可认定测试样品是某种纯净物,如果不是纯净物,则进入混合物分析,通过拉曼光谱特征峰反向匹配系数筛选,确定混合物成分构成,混合物成分确定后再进行混合物成分比例计算,最终实现危险液体混合物定性定量分析。实验部分,选定丙酮、甲苯、三氯甲烷、乙醇及其混合物进行实验验证,当混合物样品是丙酮、乙醇两种成分按3∶7比例混合时,经拉曼光谱识别方法计算,混合成分计算值是丙酮占比0.245 7,乙醇占比0.706 0;当混合物样品是甲苯、三氯甲烷两种成分按3∶7比例混合时,经拉曼光谱识别方法计算,混合成分计算值是甲苯占比0.323 4,三氯甲烷占比0.763 0;当混合物样品是丙酮、甲苯、乙醇三种成分按4∶3∶3比例混合时,经拉曼光谱识别方法计算,混合成分计算值是丙酮占比0.795 9、甲苯占比0.303 5、乙醇占比0.287 5,实验结果表明,当危险液体混合物成分是两种或三种成分混合时,混合成分计算值基本和实际值吻合,应用危险液体混合物的拉曼光谱定性定量识别方法,可较准确的从拉曼混合光谱中解析出各混合物成分以及各成分在混合物中的比例,可以判断混合物每个拉曼特征谱峰都来自于哪个成分或哪些成分拉曼特征谱峰的混合,谱图解析结果良好,对危险液体混合物现场分析鉴别有较大应用价值。     

摩擦阻力对双组分混合物自发凝结影响的研究

为了揭示摩擦阻力对喷管内双组分混合物自发凝结流动的影响,建立了双组分混合物自发凝结流动数学模型,对双组分混合物的不平衡凝结流动进行了数值模拟,给出了沿喷管轴向的相关参数分布,模拟结果与相关文献实验结果基本一致.利用该模型研究了摩擦阻力对双组分混合物自发凝结的影响,发现摩擦阻力的大小对喷管内双组分混合物自发凝结参数都有很大影响,因此在喷管加工中努力提高加工精度,尽量减小摩擦阻力对自发凝结的影响是重要的.     

碳水混合物相互作用势及混合法则的实验研究和理论探索

 利用二级轻气炮加载技术研究了碳水混合物的冲击压缩特性。研究发现：冲击压力p低于19.0 GPa时,石墨与水混合物冲击压缩特性明显不同于金刚石与水混合物的冲击压缩特性;p大于23 GPa后,它们的特性十分接近;当p为52.9 GPa时,石墨与水混合物表现出反常的冲击压缩特性,压力增加而体积出现膨胀,这与高压下碳与水发生化学反应产生气体相关。还对碳水混合物的相互作用势及混合法则的选取进行了讨论。     

含醇二元体系表面张力预测模型

表面张力是重要的物性参数之一,与人们的生产生活密切相关.醇类及其混合物具有重要的工业应用价值.含醇混合物作为特殊的缔合体系,由于氢键的存在,性质复杂.本文应用密度梯度理论结合比容平移后的Peng-Robinson状态方程,回归了醇、水纯净物的作用因子关联式系数,建立了混合物的表面张力预测模型,计算了含醇二元缔合体系的表面张力,该模型不含有任何需要混合物表面张力实验数据回归确定的经验可调参数,对绝大多数含醇混合物具有很好的通用性和计算精度.     

混合物质原子结构的自洽场计算

基于含温有界Hartree-Fock-Slater相对论自洽场平均原子模型,应用体积相加原理,计算混合物质的原子结构.给出了求解混合物的Thomas-Fermi方程以及自洽场原子结构的方法,并就一些计算结果作了讨论. 关键词： 混合物 原子结构 Thomas-Fermi模型     

太赫兹时域光谱的药物多组分同时定量测定

应用太赫兹时域光谱(THz-TDS)技术结合化学计量学方法对多组分药物混合物中药物活性成分(API)和药用辅料的含量进行了定量分析研究。用THz-TDS系统测量了无水茶碱、乳糖一水合物和硬脂酸镁三元药物混合物及对乙酰氨基酚、乳糖一水合物、微晶纤维素和可溶性淀粉四元药物混合物的太赫兹吸收光谱,并采用主成分回归(PCR)和偏最小二乘回归(PLS)两种多元校正方法分别建立了太赫兹吸收谱与多元混合物各组分含量的定量回归模型,同时获得了混合物中药物活性成分和药用辅料的含量。PLS回归取得更好结果,其中三元混合物两组分含量的PLS定量模型校正及预测相关系数R均高于0.98,四元混合物中对乙酰氨基酚、乳糖一水合物、微晶纤维素和可溶性淀粉含量的PLS定量模型校正及预测相关系数R均分别高于0.93,0.98,0.63和0.86。结果表明,THz-TDS技术结合化学计量学方法建立定量分析模型能够实现对多元混合物成分含量的无损非破坏定量分析,在药物分析等领域将有广阔的应用价值。     

碳酸二甲酯与柴油混合物粘度的实验研究

利用密度瓶和玻璃毛细管粘度计,本文对293~353 K温度范围内的碳酸二甲酯与柴油混合物的密度与粘度进行了实验研究,得到了不同配比下碳酸二甲酯与柴油混合物的密度与粘度实验数据。利用得到的实验数据,拟合了不同配比下的碳酸二甲酯与柴油混合物的密度与粘度计算方程。根据Grunberg-Nissan方法,最终得到了混合物粘度的计算方程,此方程适用于碳酸二甲酯的比例不超过20％的情况,分析表明计算结果与实验数据的偏差小于5％,可以满足工程实际应用的需要。     

HFC混合物二元交互作用系数研究

目前国际上已商业化使用或提出的潜在的环保工质,大多数为氢氟烃(HFC)混合物,利用状态方程描述混合工质热力性质时,交互作用系数是重要参数之一。本文应用Peng-Robinson状态方程对多种HFC二元混合物的气液相平衡(vapor—liquid equilibrium,VLE)实验数据进行了回归,得到了相应混合物的交互作用系数。提出了交互作用系数新关联式,结果表明所得到的交互作用系数能很好的应用于描述HFC混合物气液相平衡性质,计算精度可以满足工程应用的需要。     

碳水混合物冲击压缩特性研究

 利用二级轻气炮加载技术研究了碳水混合物的冲击压缩特性。研究发现：冲击压力p低于19.0 GPa时，石墨与水混合物冲击压缩特性明显不同于金刚石与水混合物的冲击压缩；p大于23.0 GPa后，它们的特性十分接近，这说明有较多的石墨转变为金刚石；当p为52.9 GPa时石墨与水混合物的冲击压缩特性出现明显偏离，这和高压下碳水混合物产生气体成份有关。     

Stochastic radiative transfer model for mixture of discontinuous vegetation canopies

Modeling of the radiation regime of a mixture of vegetation species is a fundamental problem of the Earth's land remote sensing and climate applications. The major existing approaches, including the linear mixture model and the turbid medium (TM) mixture radiative transfer model, provide only an approximate solution to this problem. In this study, we developed the stochastic mixture radiative transfer (SMRT) model, a mathematically exact tool to evaluate radiation regime in a natural canopy with spatially varying optical properties, that is, canopy, which exhibits a structured mixture of vegetation species and gaps. The model solves for the radiation quantities, direct input to the remote sensing/climate applications: mean radiation fluxes over whole mixture and over individual species. The canopy structure is parameterized in the SMRT model in terms of two stochastic moments: the probability of finding species and the conditional pair-correlation of species. The second moment is responsible for the 3D radiation effects, namely, radiation streaming through gaps without interaction with vegetation and variation of the radiation fluxes between different species. We performed analytical and numerical analysis of the radiation effects, simulated with the SMRT model for the three cases of canopy structure: (a) non-ordered mixture of species and gaps (TM); (b) ordered mixture of species without gaps; and (c) ordered mixture of species with gaps. The analysis indicates that the variation of radiation fluxes between different species is proportional to the variation of species optical properties (leaf albedo, density of foliage, etc.) Gaps introduce significant disturbance to the radiation regime in the canopy as their optical properties constitute major contrast to those of any vegetation species. The SMRT model resolves deficiencies of the major existing mixture models: ignorance of species radiation coupling via multiple scattering of photons (the linear mixture model) or overestimation of this coupling due to neglecting spatial clumping of species (the TM approach). Thus, based on the former experience with mixture modeling, this study establishes an advanced theoretical basis for future mixture applications.     

Liquid flame: combustion of metal suspensions in liquid sulfur

Thermodynamic calculations show that some metals can react with sulfur without the formation of gaseous products at normal pressure and yet demonstrate sufficiently high flame temperatures to support the propagation of stable flames. For example, a stoichiometric ternary mixture of iron, manganese, and sulfur demonstrates gasless combustion at an equimolar concentration of iron and of manganese with an adiabatic flame temperature of about 2000 °C. Differential thermal analysis of the mixture shows no exothermic reactions below 280 °C. Therefore, sulfur in the mixture can be safely melted (m.p. 119 °C), converting a powder blend into a liquid suspension that is free from gas bubbles. Symmetrical cylindrical flames in shallow pools of suspensions of Fe and Mn powders in liquid sulfur and combustion of the same liquid mixtures in preheated narrow steel tubes have been studied to determine flame propagation speeds as a function of mixture composition. It was found that, contrary to the behavior of the calculated flame temperature, flame speed decreases with the increase of the manganese content in the mixture and is not affected by mixture dilution with the combustion product. Direct measurements of the flame temperatures by thermocouples indicated a weak dependence of the peak flame temperature on mixture composition and revealed a two-stage flame structure. The existence of the two distinct reaction zones in the mixture of two reactive metals with sulfur is in accordance with qualitative theoretical predictions by the theory of flame with parallel reactions existing in the literature. According to theory, the reaction with the higher flame speed in a corresponding binary single-metal–sulfur mixture will form the leading stage of the complex flame front and will govern the flame propagation speed in the ternary composition. The speed of flame propagation in pure Fe–S mixture is almost three times higher than the flame speed in Mn–S mixture. As a result, the iron–sulfur reaction dominates the flame propagation mechanism in Fe–Mn–S suspension.     

Electro-optic and dielectric behavior of a FLC material having doped with a non-mesogenic polar molecules

Liquid crystal mixtures of non-mesogenic polar molecule with a commercial ferroelectric liquid crystal (FLC) mixture were prepared. Two mixtures were prepared by mixing 0.5% (w/w) and 1% (w/w) of polar molecules with commercial FLC mixture. Comprehensive studies of dielectric and electro-optic properties of the commercial FLC mixture and the polar molecules doped FLC mixtures have been made as a function of temperatures. Our studies reveal a higher tilt angle in lower concentration (0.5%) mixture but in case of 1% mixture tilt angle is decreased in comparison to 0.5% mixture. The spontaneous polarization of the commercial FLC mixture and other two mixtures is almost equal in magnitude at all temperatures. At the lower temperature region of SmC¹ phase, Goldstone mode (GM) dielectric strength of the commercial FLC mixture and low concentration (0.5%) mixture is found almost equal but it is slightly higher in case of high concentration (1%) mixture. With the increase of temperature GM dielectric strength of both the doped mixtures rapidly converges at different temperatures which are much lower than the temperature of transition (T_C) from SmC¹ – SmA phase. The results have been discussed.     

Extraction of biologic particles by pumping effect in a pi-shaped ultrasonic actuator

This paper presents a new method of extracting biologic particles from a mixture of particles. The method is based on the pumping effect in a π-shaped ultrasonic actuator, which has a gap between its two vibrating metal plates. An adhesive tape is placed at a proper position in the gap. Due to the pumping effect which is induced by the sound field in the gap, the particles with smaller mass and radius in the mixture can be pumped up to reach the adhesive tape; while the ones with larger mass cannot. Therefore, the particles with smaller mass and radius can be extracted from the mixture. A theoretical model which can well explain the operation principle and experimental phenomena is developed. By the experimental results and the theoretical analyses based on the model, the validity of the method in extracting small particles from a mixture of solid particles in air is confirmed, and the effects of the actuator’s vibration, adhesive tape height, contents of the mixture and viscosity of fluid on the extraction are clarified. Also, it is theoretically predicted that the method will work under the microgravity condition in air.     

Velocity enhancement of slow particles in lattice-gas binary mixture

We study the unidirectional flow of a binary mixture of biased-random walkers on square lattice under a periodic boundary. The lattice-gas mixture consists of two types of walkers which have different biases (drift coefficients). The characteristics of unidirectional flow are clarified numerically. The mean velocity of slow particles in the binary mixture is enhanced higher than that in lattice-gas consisting of only slow particles. The mean velocity of slow particles shows a maximal value at an intermediate density. The dependence of velocity enhancement on both drift coefficient and mixture fraction is shown. Velocity enhancement is intensified with decreasing fraction of slow particles. Also, when the bias is lower, the velocity enhancement is higher.     

Automated identification of components in a chemical mixture utilizing multi‐wavelength resonant‐Raman spectroscopy and a Pearson correlation algorithm

In complex environments, the ability to identify the constituent chemicals within a mixture is extremely important. By utilizing a Pearson correlation algorithm to compare sets of multi‐wavelength resonance‐Raman signatures, we demonstrate the automated identification of chemicals within a mixture. Applying a linear mixture model, we are also able to estimate the fractional volumetric abundances contained therein. The multi‐wavelength resonance‐Raman signature used for identification is obtained by illuminating the unknown mixture with a series of 21 sequential laser wavelengths. This signature is then compared with the signatures of a set of known chemicals. By maximizing the Pearson correlation coefficient between the signature of the mixture and a weighted superposition of the signatures of the pure chemicals, we are able to determine the mixture components with 100% accuracy. The linear superposition of the selected chemicals, which minimizes the least squares distance between the signatures of the mixture, and its mathematical recreation determines the corresponding fraction, by volume, of each chemical within the mixture. Copyright © 2012 John Wiley & Sons, Ltd.     

Mechanisms of the amplification of a shock wave passing through a cool flame zone

A theoretical explanation of the Shchelkin-Sokolik effect, that is the dependence of the predetonation distance on the duration of thermal pretreatment of the explosive mixture before its ignition with an external source, is presented. Gasdynamic and kinetic calculations of the direct initiation of detonation in an n-pentane-oxygen mixture based on a simplified and a detailed kinetic mechanism are performed. It is demonstrated that a thermal pretreatment of the mixture causes a shortening of the predetonation distance, with the shortest predetonation distance being achieved when the shock wave arrives at the moment the cool flame arises. The calculated and measured dependences of the predetonation distance on the duration of thermal pretreatment of the mixture are demonstrated to be satisfactory agreement. The role played by the wall reactions is discussed.     

Letter: Irreversible Processes in a Universe Modelled as a Mixture of a Chaplygin Gas and Radiation

The evolution of a Universe modelled as a mixture of a Chaplygin gas and radiation is determined by taking into account irreversible processes. This mixture could interpolate periods of a radiation dominated, a matter dominated and a cosmological constant dominated Universe. The results of a Universe modelled by this mixture are compared with the results of a mixture whose constituents are radiation and quintessence. Among other results it is shown that: (a) for both models there exists a period of a past deceleration with a present acceleration; (b) the slope of the acceleration of the Universe modelled as a mixture of a Chaplygin gas with radiation is more pronounced than that modelled as a mixture of quintessence and radiation; (c) the energy density of the Chaplygin gas tends to a constant value at earlier times than the energy density of quintessence does; (d) the energy density of radiation for both mixtures coincide and decay more rapidly than the energy densities of the Chaplygin gas and of quintessence.