A New Equation between Surface Tensions and Solubility Parameters without Molar Volume Parameters Simultaneously Fitting Polymers and Solvents

Both surface tension and solubility parameter are decided by molecular interactions. There are several empirical equations describing their connection. However, at least two limitations exist for them: polymers cannot be treated and only apolar or weakly polar solvents can be fitted. We found when only the dispersive properties were considered, for 37 solvents and 22 polymers, a linear relationship exists between γ ^d and γ/δ^2/3 _d , fitted by a new equation. Compared with the previous equations, the value of the new equation is that most solvents and common polymers could be treated simultaneously. This equation will be of value for estimating the accuracy of reported surface tension data or solubility parameters of polymers.     

Isothermal Crystallization Kinetics and Melting Behavior of a Luminescent Conjugated Polymer,Poly(9,9-Dihexylfluorene-Alt-2,5-Didodecyloxybenzene)

A study of the isothermal crystallization behaviors of poly(9,9-dihexylfluorene-alt-2,5-didodecyloxybenzene) (PF6OC12) was carried out using differential scanning calorimetry (DSC). The crystallization kinetics under isothermal conditions could be described by the Avrami equation. The Avrami exponent n ranges from 3.43 to 3.71 for PF6OC12 at crystallization temperatures between 100.0°C and 90.0°C, indicating a three-dimensional spherical crystal growth with homogeneous nucleation in the primary crystallization stage for the isothermal melt crystallization process. In the DSC scan, after the isothermal crystallization, multiple melting behavior was found. The multiple endotherms could be attributed to melting of recrystallized materials produced originally during different crystallization processes. According to the Arrhenius equation, the activation energy was determined to be 211.29 kJmol^?1 for the isothermal melt crystallization of PF6OC12.     

Effect of β-Nucleating Agent on the Crystallization,Mechanical Properties,and Heat Resistance of Injection-Molded Isotactic Polypropylene

Injection-molded β-isotactic polypropylene (β-iPP) was prepared with a commercial β-nucleating agent (NT-A). The effect of NT-A on the crystallization, mechanical properties, and heat resistance of β-iPP was investigated by differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), polarized light microscopy (PLM), and mechanical and heat deflection tests. DSC and WAXD analysis showed that the content of β-crystals in the nucleated iPP was higher than that of pure iPP, and the content of β-crystals of the core was higher than that of the skin. PLM observations showed that injection-molded iPP had an obvious skin-core structure. NT-A induced abundant β-crystals and resulted in small spherulites which improved the Izod notched impact strength. When the content of NT-A was 0.075wt%, the Izod notched impact strength reached a maximum, 2.6 times more than that of pure iPP. The heat distortion temperature was also improved by NT-A.     

Optimization of Pretreatment Method for Alkylmercuries Speciation in Coal by High‐Performance Liquid Chromatography Coupled with UV‐Digestion Cold Vapor Atomic Fluorescence Spectrometry

Abstract

Exhaustive extraction of analytes in their original chemical forms from samples with complex matrices is a pivotal step for speciation analysis. Herein we propose a pretreatment method for extracting and preconcentrating methylmercury and ethylmercury from coal samples by using KBr–H₂SO₄/CuSO₄–C₆H₅CH₃–Na₂S₂O₃ system. The extraction conditions, including the volume of the organic phase and the extraction time, were optimized in detail. Speciation analysis of alkylmercuries was carried out by high‐performance liquid chromatography online coupled with UV‐digestion and cold vapor atomic fluorescence spectrometry. The detection limits were 0.6 ng mL^?1 for methylmercury and 1 ng mL^?1 for ethylmercury, respectively. The recoveries of methylmercury and ethylmercury spiked in a sample were 84% and 82%, respectively. The method was applied successfully to analysis of alkylmercuries in four coal samples collected from northeast China.     

Calculation on the CO2 influences on the structure,stability of (MgO)m (m = 1–6) clusters

ABSTRACT

The concentration of carbon dioxide (CO₂) has a significant influence on the morphology of thermal decomposition products of magnesite. So, structures, stabilities and adsorption mechanisms of (MgO)_m (m?=?1–6) clusters by one or two CO₂ molecules were calculated by the GGA-PW91 method. The results show that the stability of the considered clusters is (MgO)_m(CO₂)₂ clusters > (MgO)_m(CO₂) clusters > (MgO)_m clusters by the average binding energy. Certain low-lying isomers of (MgO)_m(CO₂) and (MgO)_m(CO₂)₂ clusters which have an isolated O atom are deviating from the cluster center which possess higher kinetic activity. (MgO)_m clusters prefer to adsorb a CO₂ molecule, while (MgO)₃(CO₂) clusters prefer to adsorb a CO₂ molecule rather than the neighbors. Magnesite is difficult to transit to (MgCO₃)₂ clusters at room temperature. However, magnesite will spontaneously transit to (MgO)₂ clusters and further transit to MgO crystal which need to adsorb more energy at 700?K.     

一类不可压缩材料平面应力问题的裂纹尖端场

本文采用完全非线性弹性理论,研究了一类不可压缩橡皮类材料[1]在Ⅰ型荷载作用下的平面应力问题.指出裂尖变形由两个收缩区和一个扩张区三部分组成.裂纹尖端应力、应变分别具有R-1、R-1/n的奇异性,当趋近裂尖时,厚度以R1/4n的方式趋于零,n为材料常数.     

A theorem of Grünwald-type for Hermite-Fejér interpolation of higher order

In this paper we give a theorem of Grünwald-type for (0, 1,...,m-1) Hermite-Fejér interpolation (m=2, 4,...), which extends the famous result for a strongly normal system of nodes in the casem=2 given by Grünwald in [1].     

快速发光二极管的性能与分析

本文叙述了用于光通信快速、高辐射度GaAs/GaAlAs双异质结发光管的性能.其电带宽大于60MHz,光带宽在100MHz以上.在200mA辐射度为1017W/cm2·sr.尾纤输出超过160μw(NA=0.2).分析和讨论了影响辐射输出和调制能力的诸因素,并选取了最佳折衷方案.     

Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study

PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.     

The first excited single-proton resonance in ~(15)F by complex-scaled Green's function method

The complex-scaled Green's function(CGF)method is employed to explore the single-proton resonance in 15F.Special attention is paid to the first excited resonant state 5/2+,which has been widely studied in both theory and experiments.However,past studies generally overestimated the width of the 5/2+state.The predicted energy and width of the first excited resonant state 5/2+by the CGF method are both in good agreement with the experimental value and close to Fortune's new estimation.Furthermore,the influence of the potential parameters and quadruple deformation effects on the resonant states are investigated in detail,which is helpful to the study of the shell structure evolution.