Entropy,Free Volume,and Cooperative Relaxation

The high frequency end of the relaxation spectrum for polymer molecules involves the rotation of the segmental bonds. This fast relaxation process, however, cannot take place easily in the condensed state crowded by the densely packed conformers, necessitating the slower cooperatively synchronous relaxation. As the temperature is lowered, the domain of cooperativity grows towards the infinite size at the Kauzmann zero entropy temperature, though actually the system deviates from the equilibrium as the glass transition intervenes typically at 50 K above that temperature. The excess enthalpy and entropy drop faster than predicted by the rotational isomeric states which would reach zero only at 0 K. The real ΔC_P is greater than that of the RIS value. The actual volume in excess of the crystalline lattice volume, however, points towards zero at 0 K. Thus, a polymer with higher T_g typically exhibits a lower density and modulus in the glassy state. Since the configurational entropy associated with the free volume is proportional to the logarithm of the latter, the Kauzmann temperature can be scaled by ln M, where M is the algebraic average of the conformer molecular weight. The temperature dependence of the most dominant, i.e., the largest equilibrium domain size will result in the Adam-Gibbs and Vogel equations for the characteristic relaxation time. The cooperative domain distribution leads to the relaxation spectrum that follows a power law. The relationship between the characteristic relaxation time and the rate of physical aging is derived.     

变温条件下HDPE/CB的正电子湮灭特性

对掺杂了25份（phr）导电炭黑（CB）的样品进行了正电子湮灭寿命谱的变温测量，在玻璃化转变温度以上，随着温度的增加，自由体积的大小线性增加，在玻璃化转变温度以下，自由体积的大小基本不变，o-Ps的强度在－40℃下基本不变，从－40℃以上开始增加，但在50℃以上上升有加快的趋势，与PTC材料的PTC现象和导电性能有一定的关联。     

不同粒度松散煤体的氧扩散特性实验研究

以自行研制的煤对氧扩散特性测试装置为实验手段,在常温环境条件下测试了不同粒度松散煤体对氧的自由扩散特性.实验结果表明:煤样粒度的变化对取气腔氧浓度流出曲线的影响表现出2个极限值,煤样粒度在20～100目之间时,取气腔氧气浓度梯度随煤样粒度的增大而增大;当煤样粒度<20目或>100目时,煤样粒度的再变化对氧浓度流出曲线的影响则微乎其微;取气腔氧浓度曲线流形基本符合指数曲线的变化规律.     

Effects of Light, Oxygen, and pH on the Absorbance of 2,2-Diphenyl-1-picrylhydrazyl

ABSTRACT: The absorbance of 2,2-diphenyl-1-picrylhydrazyl (DPPH) at 517 nm in methanol and acetone decreased by 20 and 35% for 120 min at 25 °C under light, respectively; in the dark it did not change significantly for 150 min. Decomposition of DPPH under 21% oxygen after 90 min under light was significantly higher than that under 1% oxygen. Absorbance of DPPH in pH 4 buffer solution in methanol, and in pH 10 buffer solution in acetone, decreased by 55 and 80%, respectively, under light for 120 min. The evaluation of antioxidant activity by the changes of DPPH absorbance should be carefully interpreted since the absorbance of DPPH at 517 nm is decreased by light, oxygen, pH, and type of solvent in addition to the antioxidant.     

Free energy simulations of the HyHEL-10/HEL antibody-antigen complex

Free energy simulations are reported for the N31^L-D mutation,both in the HyHEL-10-HEL antibody-lysozyme complex and in theunliganded antibody, using the thermo-dynamic-cycle perturbationmethod. The present study suggests that the mutation would changethe free energy of binding of the complex by –5.6 kcal/mol(unrestrained free energy simulations), by –0.5 kcal/mol(free energy simulations with a restrained backbone) and by1.8 kcal/ mol (Poisson-Boltzmann calculations, which also usea restrained geometry model). A detailed structural analysishelps in estimating the contributions from various residuesand regions of the system. Enhanced recognition of HEL by themutant HyHEL-10 would arise from the combination of thermodynamicallymore favorable conformational changes of the CDR loops uponassociation and subsequent charge pairing with Lys96 in theantigen.     

A method of estimating the standard gibbs free energy of formation

Standard Gibbs free energy of formation (ΔG_f⁰), an important property needed in design calculations has been estimated using molar refraction, R_M. The linear relationships derived between ΔG_f⁰ and R_M tested with the data on 8 series of hydrocarbons at 228 compounds yielded average deviations comparable to the methods cited in recent literature. The method can be used as an alternative to the existing ones, because of its simplicity combined with reasonable accuracy.     

无间隙原子钢的微观结构特征和塑性应变比

采用Ｘ射线衍射的ＯＤＦ和ＬＰ分析技术，ＳＥＭ电子通道花样和蚀坑技术观测，研究了超深冲无间隙原子钢板的微观结构特征。结果表明：控制化学成分、保证基体纯净、优选工艺参数，促进强的γ－〈１１１〉∥Ｎ．Ｄ纤维织构的形成是获得优异成型性的关键。用ＣＭＴＰ方法，由ＯＤＦ织构数据从理论计算了塑性应变比（ｒ），表明ｒｍ值高达３．１８。文中讨论了再结晶织构形成机制。     

Improvement of the methods of reproducing and transferring the dimensions of the unit of sound pressure in an aqueous medium under free-field conditions

Methods of reducing the predominant components of uncertainty in standards of sound pressure in an aqueous medium in a free field, and also methods of increasing the accuracy when the dimensions of the unit of a physical quantity are transferred by the means employed in natural measurements are reviewed. __________ Translated from Izmeritel’naya Tekhnika, No. 8, pp. 59–63, August, 2007.     

超越离合器内星轮对数螺旋楔合面的设计

通过对采用平面楔合面内星轮的超越离合器的受力及磨损对其使用可靠性影响的分析，从而提出了用对数螺旋楔合而代替平面楔合面的设计方案，并对两种方案进行了比较。     

Activity measurement of the constituents in molten Fe–B and Fe–B–C alloys

The distribution ratios of Fe and B between molten Fe–B alloy and molten Ag were measured at temperatures between 1573 and 1923 K. Also, distribution ratios of Fe and B between molten Fe–B–C_satd. alloys and molten Ag were measured at 1873 K. It was found that the excess Gibbs free energy of mixing in molten Fe–B and Fe–B–C alloys can be expressed by utilizing the Redlich–Kister polynomial. The activity curves of the elements in molten Fe–B alloy and Fe–B–C alloy were estimated.