Group contributions to activity coefficients from the hard sphere expansion corresponding states theory

A new method has been developed for predicting liquid activity coefficients in ternary mixtures from group contributions. In this method, activity coefficients are obtained from the excess Gibbs free energy of mixing at constant temperature and pressure. In calculating this excess function, the constituent and mixture Gibbs free energies are each represented by an expansion about a pure reference fluid in powers of ratios of hard-sphere diameters and molecular attraction parameters. When the pure component differs from the reference by a single structural group, these ratios represent, respectively, the size contribution and the attraction contribution of this group to the thermodynamic property of the pure fluid. Contributions of intermolecular repulsion to the excess Gibbs free energy are calculated directly from hard-sphere equations of state for the mixture and pure components. The effect of polar contributions calculated by a Padé approximant is also examined. Results indicate that the method developed from the hard-sphere expansion corresponding-states theory is useful for predicting activity coefficients in ternary mixtures when unlike-pair interaction parameters are fitted to binary activity coefficient data. Furthermore, the method shows promise in providing a theoretical basis for applying group contributions to activity coefficients.Nomenclature A Residual Helmholtz free energy - C _p Constant-pressure heat capacity - H _vap Heat of vaporization - P ^s Saturated vapor pressure - R Gas constant - T Temperature - U ^HS Hard-sphere internal energy - V _c Critical volume - V ^L Liquid volume - x Dimensionless residual thermodynamic property - Z Compressibility factor - d Center-to-center distance between two touching molecules - k Boltzmann constant - n Moles - x Liquid mole fraction - y Vapor mole fraction - Volume expansivity - Liquid activity coefficient - Minimum molecular attraction potential - Isothermal compressibility - Permanent dipole moment - 3.14159... - Density - Fugacity coefficient Paper presented at the Ninth Symposium on Thermophysical Properties, June 24–27, 1985, Boulder, Colorado, U.S.A.     

Discrete logarithms inGF(p)

Several related algorithms are presented for computing logarithms in fieldsGF(p),p a prime. Heuristic arguments predict a running time of exp((1+o(1)) ) for the initial precomputation phase that is needed for eachp, and much shorter running times for computing individual logarithms once the precomputation is done. The running time of the precomputation is roughly the same as that of the fastest known algorithms for factoring integers of size aboutp. The algorithms use the well known basic scheme of obtaining linear equations for logarithms of small primes and then solving them to obtain a database to be used for the computation of individual logarithms. The novel ingredients are new ways of obtaining linear equations and new methods of solving these linear equations by adaptations of sparse matrix methods from numerical analysis to the case of finite rings. While some of the new logarithm algorithms are adaptations of known integer factorization algorithms, others are new and can be adapted to yield integer factorization algorithms.     

Aluminum. II. Derivation of C v0from C p and comparison to C v0 calculated from anharmonic models

The specific heat at constant pressure, C _p, of aluminum measured by Ditmars, Plint, and Shukla has been reduced to the volume V ₀ appropriate for 0 K employing the Murnaghan equation. The C _v0 thus obtained is compared with the theoretical C _v0 calculated in the harmonic and the lowest-order anharmonic approximation from three different pseudopotentials (Harrison, Ashcroft, and Dagens-Rasolt-Taylor) as well as a phenomenological Morse potential. The higher-order ( ⁴) anharmonic contributions are calculated from the same nearest-neighbor Morse potential as in the lowest-order anharmonic theory. The role of the vacancy and the higher-order anharmonic contributions to C _v0 has been examined and we conclude that the ⁴ contributions to C _v0 are much smaller than the vacancy contribution. After removal of the vacancy contribution, the reduced C _v0 is found to be in excellent agreement with the Ashcroft and Harrison pseudopotentials as well as the Morse potential including the ² and ⁴ contributions to C _v0.     

低温裂纹张开位移预测方法的讨论

把低温影响下的COD试验数据用灰色理论中的累加方法进行累加，可以使一组没有规律的数据成为一条光滑的曲线．然后利用人工神经网络和自适应模糊推理系统两种方法进行预测，算例的结果表明用一次累加后的数列预测精度较高。     

基于交通信息和配电网全成本电价的电动汽车充电负荷调度方法

电动汽车的集中充电行为会在一定程度造成交通拥堵,为解决这一问题,综合考虑交通信息和电网信息,基于边际定价理论得到配电网节点边际电价和交通阻塞成本,构建电动汽车充电的全成本电价模型。在此基础上,提出一种考虑交通信息和配电网全成本电价的电动汽车充电负荷调度方法。通过仿真算例验证,该方法在满足电动汽车充电需求的同时可以有效缓解交通拥堵。     

绳牵引刚柔式波浪补偿并联机构的设计与建模

为了减少海上集装箱货物运输中风浪造成的损坏,提出刚柔混合驱动主动式波浪补偿并联机构. 基于刚柔混合并联机构的动定平台的矩阵旋转原理和几何封闭法建立位置逆解数学模型;利用空间几何原理构建机构位置正解数学模型;利用求导法则对位置逆解进行求导,建立速度雅可比矩阵与加速度的二阶影响矩阵;基于绳子是柔性变形体推导出系统刚度矩阵,探究影响系统刚度的因素和增加系统刚度的原则. 利用数值模拟仿真对运动学和系统刚度进行验证,结果表明位置正逆解的输入输出误差不超过实际误差的2.25%;发现理论仿真曲线和样机仿真曲线较吻合,误差不超过7.4%,验证了运动学模型的正确性;根据刚度矩阵发现刚度影响因素对系统刚度的影响规律. 通过对绳驱动刚柔混合驱动波浪补偿并联机构的实验验证,发现该机构的补偿效果均高于90%. 证明研究结果为刚柔混合主动式波浪补偿并联机构的运动和机构设计提供了理论支持.     

高温高湿盐环境下SBS改性沥青胶浆的高温性能

基于自行设计的室内盐蚀干湿循环试验,采用动态剪切流变仪,对SBS改性沥青胶浆进行温度扫描试验和多重应力重复蠕变恢复(MSCR)试验. 以3.2 kPa应力下的不可恢复蠕变柔量J_nr,3.2为胶浆高温流变性能评价指标,分析试验环境和干湿循环耦合作用对胶浆流变性能的影响. 采用灰色关联理论,探究J_nr,3.2与常规流变参数、干湿循环次数及试验环境之间的关联性. 结果表明,随着盐蚀干湿循环次数的增加,胶浆的复数切变模量、车辙因子及J_nr,3.2均呈增大趋势,相位角和蠕变恢复率呈减小趋势. 在同种试验条件下,硫酸盐环境对胶浆高温性能的影响最大. J_nr,3.2与改进型车辙因子、试验环境的灰色关联度最大,关联度系数均大于0.93. 建议采用日常清扫、定期洒水冲洗的方式来减小路面盐分的积累,提高高温高湿环境中沥青路面的抵抗变形的能力.     

infi90控制系统在钢管加热炉上的应用

介绍了用于钢管加热炉双交叉限幅燃烧控制的ｉｎｆｉ９０控制系统的构成和通讯网络，基本控制模件ＣＬＣ０４指令回路控制器的硬件结构，软件功能等。     

声发射源定位不确定度的计算

针对声发射检测中的声发射源定位的不确定性问题，就其影响因素，在常用的16MnR钢制板件上进行了检测实验，并开展了实验数据的计算、分析与讨论。