Solubility in compressible polymers: Beyond the regular solution theory

The age-old idea of “like dissolves like” requires a notion of “likeness” that is hard to quantify for polymers. We revisit the concepts of pure component cohesive energy density c^P and mutual cohesive energy density c₁₂ so that they can be extended to polymers. We recognize the inherent limitations of c₁₂ due to its very definition, which is based on the assumption of no volume of mixing (true for incompressible systems), one of the assumptions in the random mixing approximation (RMA); no such limitations are present in the identification of c^P. We point out that the other severe restriction on c₁₂ is the use of pure components in its definition because of which c₁₂ is not merely controlled by mutual interactions. Another quantity as a measure of mutual cohesive energy density that does not suffer from the above limitations of c₁₂ is introduced. It reduces to c₁₂ in the RMA limit. We are able to express in terms of c₁₂ and pure component c^P’s. We also revisit the concept of the internal pressure and its relationship with the conventional and the newly defined cohesive energy densities. In order to investigate volume of mixing effects, we introduce two different mixing processes in which volume of mixing remains zero. We then carry out a comprehensive reanalysis of various quantities using a recently developed recursive lattice theory that has been tested earlier and has been found to be more accurate than the conventional regular solution theory such as the Flory-Huggins theory for polymers. In the RMA limit, our recursive theory reduces to the Flory-Huggins theory or its extension for a compressible blend. Thus, it supersedes the Flory-Huggins theory. Consequently, the conclusions based on our theory are more reliable and should prove useful.     

gem-Difluorocyclopropane as core molecule candidate for liquid crystal compounds

The synthesis of a novel chiral gem-difluorocyclopropane building block has been accomplished using chemo-enzymatic reaction protocol; the prochiral diol of 1,4-bis(2,2-difluoro-3-(hydroxymethyl)cyclopropyl)benzene (5) was converted to the corresponding chiral diacetate by Pseudomonas lipase (lipase SL-25, Meito)-catalyzed transesterification with vinyl acetate as acyl donor with >99% enantiomeric excess. Various types of diesters or dialkyl ether were prepared from the diol and their helical twisting power (HTP) was evaluated by addition of 1.0 wt% to a non-chiral nematic liquid crystal host; the HTP was significantly dependent on the structure of ester or ether moieties and diester of diol 5 with isopropylfumalic acid showed the largest HTP.     

On the characteristics of Applied Mathematics

In this paper,four aspects of particular characteristics of Applied Mathematicsdifferent from those of Pure Mathematics are summarized by comparison.     

生物样品中速可眠及代谢产物的分析

应用气相色谱／质谱（ＧＣ／ＭＳ）法对一例速可眠中毒病人生物样品进行分析鉴定。样品经酸化、乙醚提取,然后于ＧＣ／ＭＳ分析,在患者胃内容物和血中检出速可眠,在眼药３３ｈ尿内可检出速可眠原型药物以及四个代谢产物。并用外标法对生物样品中速可眠进行定量测定,对临床救治起到了积极作用。     

用改进的因子分析-光度法同时测定含有锗钼钨锡的混合物体系

本文通过模拟纯谱及非零截距的引入,改进了因子分析-光度法。用该法探讨了以对硝基苯基荧光酮及溴代十六烷基三甲铵作为试剂的多元络合物体系同时测定锗、钼、钨、锡的最佳条件。实验证实用该法测定合成样品及钢样,结果满意。     

PSO萃取色层分离原子发射光谱测定氧化钇中十四个稀土杂质

本将石油亚砜浸渍在一种特制的吸附树脂上,用ＰＳＯ为固定相的萃取色层法分离氧化钇中痕量稀土杂质,可以分析６－７Ｎ级的氧化钇样品,加入试验的回收率为６７－１２０％,相对标准偏左为±４－１９．４％。     

基于XFEM的混凝土纯弯曲梁的裂缝扩展模拟研究

选取纯弯曲梁进行裂缝扩展研究,在理论上符合Ⅰ型断裂模式．因此,本文利用扩展有限元法(XFEM)模拟了混凝土纯弯曲梁裂缝发展的全过程,结合线性叠加渐进假定,得到了不同初始缝高比的P-δ曲线、P-CMOD曲线以及临界有效裂缝扩展长度(a_c-a₀)/h与裂缝发展路经．对比试验数据和模拟结果表明：随着初始缝高比的增大,起裂荷载P_ini、最大荷载P_max、离散弗雷歇距离δ_dF与δ_{d F}^′,以及临界有效裂缝长度(a_c-a₀)/h均逐渐减小;试验与模拟的裂纹发展路径存在一定偏差,可知试验数据与模拟结果存在规律性差异．     

电感耦合等离子体原子发射光谱(ICP-AES)法测定高纯铝中Fe、Cu、Mg、Zn、Ti

建立了用电感耦合等离子体原子发射光谱(ICP-AES)法测定高纯铝中Fe、Cu、Mg、Zn、Ti的方法。详细讨论了基体元素和共存元素对分析元素的光谱干扰,以及盐酸用量的影响;选择了合适的分析谱线,同时得出了各元素的检出限。证明用基体匹配的方法在Fe 259.940nm、Cu 327.396nm、Mg279.079nm、Zn 213.856nm、Ti 334.941nm处可准确、可靠地测定高纯铝中含量范围在0.001%~0.01%的Fe、Cu、Mg、Zn、Ti元素。     

An improved second moment method for solution of pure advection problems

The second moment numerical method (SMM) of Egan and Mahoney [Numerical modeling of advection and diffusion of urban area source pollutant. Journal of Applied Meteorology 1972; 11 : 312–322] is adapted to solve for the pure advection transport equation in a variety of flow fields. SMM eliminates numerical diffusion by employing a procedure that takes into account the first and second moments of mass distribution in each grid element. For pure translational flow fields, the method is conservative, positive definite and shape‐preserving. In rotational and/or shear flows, the accuracy of SMM is significantly reduced. Two improvements are presented to make the SMM applicable to a wider range of flow problems. It is shown that the improved SMM (ISMM) is less diffusive and more shape‐preserving than the SMM in rotational and/or deformational flows. The ISMM can also be used to solve for a color function in compressible flow fields. The computational efficiency of this method is compared with that of other methods and, for a given accuracy, it is shown that ISMM is a cost‐effective, non‐diffusive and shape‐preserving method. Copyright © 2000 John Wiley & Sons, Ltd.