Averaging the pressure and flow rate of the carrier gas in a gas chromatographic column

Summary A systematic derivation of corresponding equations shows that averaging the pressure and the flow rate of the mobile phase in a gas chromatographic column over the column length and over the time that an unretained component resides in the column, requires the use of three different compressibility correction factors,j ₂ ¹ ,j ₃ ² , andj ₄ ³ . When multiplied by the adjusted retention volume,V _R-V_M, the Martin and James mobile phase compressibility correction factorj ₃ ² , only, produces the value of specific retention volume,V _g ^T , which is connected unambiguously with the thermodynamic phase distribution coefficient,K, of the sorbate.     

Con(n=2～10)团簇的结构和磁性

采用密度泛函理论中的局域自旋密度近似(LSDA)和广义梯度近似(GGA)对Con(n=2～10)团簇的几何构型进行优化，并对能量、频率和磁性进行了计算,两种方法确定的基态构型完全一致,并从平均键长、平均配位数和对称性对磁性的影响进行了理论探讨.研究表明, Con(n=2～10)基态团簇的磁性在n=2～4时主要受平均键长的影响,在n=5～9时主要受平均配位数的影响,在n=10时受原子间距和平均配位数的相互影响,最终导致与Co8基态团簇具有相同的磁性.基态团簇在Co5和Co9出现了磁性局域最小点.     

共聚物平均组成曲线软件的开发

利用高级编程语言Vc 6.0为工具,制作了高分子化学课程中的共聚物平均组成曲线的动态曲线图.曲线显示窗口主要有以下功能,即重画坐标系功能、清除当前曲线功能、清除全部曲线功能、绘制曲线功能、输入参数功能、返回登陆窗口功能.采用控件编程技术,实现了参数的随机录入、曲线的动态形成、坐标系和曲线的变色绘制、线体和线宽的重新设置以及序列显示曲线相关参数等诸多功能.它不仅可以作为高分子化学课程课堂教学使用,又可作为本专业学生有效地进行课后复习.该教学系统针对性强,操作简单,使用方便,是一种较实用的计算机辅助教学工具.     

The use of average natural orbitals for configuration interaction calculations on the Boron Hydride molecule

The use of average natural orbitals is compared to some better known methods of performing limited and restricted CI calculations. It is found that a moderately extensive restricted valence shell CI computation using a subset of these orbitals is an efficient and accurate method for the calculation of state wavefunctions. Total and electronic excitation energies have been calculated for the BH molecule.Taken in part from a Ph. D. thesis submitted to the University of Toronto in 1971.     

利用X射线小角度散射法研究大孔吸附树脂的孔结构——平均孔径的测定

利用小角X射线散射技术研究了吸附剂的孔结构。选择含6％二乙烯基苯和100％汽油作致孔剂制备的干燥及水和甲苯溶胀的聚合物小球为样品,测定了干态及溶胀态样品的平均孔径及孔径分布。得到了随溶剂吸附量增加平均孔径变化的关系。对吸附和溶胀机理作了初步探讨。     

一类新的表面活性剂——长链烷基三苯基鏻——Ⅵ.稳态荧光猝灭法测定十二烷基三苯基溴化鏻胶束的平均簇集数

研究了十二烷基三苯基溴化鏻(C_(12)PBr)胶束中N,N-二甲基苯胺(DMA)和二苯甲酮(DPK)对芘的荧光猝灭,发现DMA的猝灭行为不符合Stern-Volmer动态猝灭和Turro静态猝灭模型;DPK的猝灭行为不符合Stern-Volmer猝灭模型,但遵从Turro静态猝灭模型。根据DPK的静态猝灭性质测得C_(12)PBr胶束的平均簇集数为15士2,并相应地得到C_(12)PBr的临界胶束浓度为(1.77±0.09)×10~(-3)mol/L,后者与文献值一致。     

晶体中原子的平均范德华半径

根据晶体中原子的平均体积数据提出包括全部金属元素的原子平均范德华半径值.与现有几个重要的范德华半径体系进行了初步的比较,指出范德华半径值在应用中值得注意的问题,简要提出了有关范德华半径今后研究的方向.     

Clustering properties of partly charged superfine particles in a light medium

This paper investigated average cluster sizes （ACS） and cluster size distributions （CSD） at different shear rates by Brownian dynamics in non-, bi-, and uni-polar systems with partly charged superfine particles, The investigation indicates that clusters in non- polar systems are the weakest and easiest to be damaged by increasing shear stresses; charged particles play important and different roles： in bi-polar system, it intends to strengthen clusters to some extent provided that the sign-like ions homogeneously arranged; in uni-polar system charged particles cracked the clusters into smaller ones, but the small clusters are strong to stand with larger shear stress. The relationship between ACS and shear rates follows power law with exponents in a range 0.18-0.28, these values are in a good agreement with experiment range but at the lower limit compared with other systems of non-metallic cluster particles.     

明胶与丙烯酸乙酯接枝共聚的SDS-聚丙烯酰胺凝胶电泳研究

明胶与丙烯酸乙酯接枝共聚的ＳＤＳ－聚丙烯酰胺凝胶电泳研究刘孝恒,阎天堂（中国科学技术大学近代化学系,合肥,２３００２６）关键词接枝,明胶,组分,平均分子量,电泳在天然高分子接枝改性的研究中,有关明胶的报道已有不少［１～６］,其中多数采用常规定量分析法...     

PEG-PLA嵌段共聚物的合成及~(13)C NMR对平均链段长度的测定

本文报道聚乙二醇(PEG)在辛酸亚锡存在下与丙交酯(LA)反应合成PEG-PLA嵌段共聚物,用~(13)C NMR测定了共聚物的结构,估算了平均链段长度.实验结果表明,L_(PEG)在反应过程中保持不变,而L_(PLA)随反应时间和LA在原料配比中含量的增加而增加,呈逐步聚合反应特点.对聚合反应机理作了推测.     

气液色谱法测定工业直链烷基磺酸盐数均分子量

本文介绍用气相色谱法测定工业直链烷基磺酸盐在浓磷酸介质中脱磺酸基后,用石油醚萃取释出的不同碳数烷基的含量,然后,根据烷基的数均分子量,分别加—SO_3Na基的值,从而计算出工业直链烷基磺酸盐的数均分子量。该法快速、简易和准确。     

Pore-Scale Studies on the Stability of Microfoam and the Effect of Parameters on Its Bubble Size

This paper presents a new method to prepare microfoam with excellent stability and high by using a sandpack foam generator. The micromorphology of microfoam were analyzed, and average bubble diameter and uniformity of microfoam were studied by microscope. The stability of xanthan gum-stabilized microfoam and common microfoam at the pore scale was also compared. The results showed that a highly uniform microfoam ranging in size from 10 to 100 µm in diameter with a variable coefficient less than 10% was successfully prepared. The bubble size of the microfoam could be controlled by solution viscosity, gas and liquid flow rate, temperature, and backpressure. The bubble size of microfoam decreased and became uniform with the increase of solution viscosity, total flow rate, and backpressure. The bubble size increased slightly and became non-uniform with the increase of temperature, while the concentration of foaming agent had little effect on the bubble size when above 5000 mg/L. The xanthan gum in the solution increased the viscosity and thickness of liquid membrane, so xanthan gum-stabilized microfoam maintained better stability within microconfined media than common microfoam under condition of 160 g/L salinity, 90°C, and 6 MPa backpressure.     

高分子链与溶剂分子最短平均距离的~(13)C NMR测定法

<正> 高分子溶液的性质取决于高分子链与溶剂分子的相互作用,由于高分子链与溶剂分子的涨落运动,所以总的结果是整个时间和空间的系综平均。如能得到高分子链与溶剂分子的平均作用距离,那么从理论上就可计算高分子溶液的有关性质,因而具有理论意义。但迄今为止,还未报道测定这种距离的方法。     

Average Arrival Time: an Alternative Approach for Studying Fluorescent Behavior of Single Quantum Dots?

Due to photoluminescence intermittency of single colloidal quantum dots (QDs), the traditional exponential fluorescence lifetime analysis is not perfect to characterize QDs' fluorescent emission behavior. In this work we used the time-tagged time-resolved (TTTR) mode to record the fluorescent photons from single QDs. We showed that this method is compatible with the traditional lifetime analysis. In addition, by constructing the trajectory over time and the distribution of average arrival time (AAT) of the fluorescent photons, more details about the emission behavior of QDs were revealed.     

Molecular representation of coal-derived asphaltene based on high resolution mass spectrometry

The asphaltene separated by solubility in small molecular alkanes and toluene is the most structurally diverse and complex components in heavy oil, such as vacuum residue and coal tar. The coal-derived asphaltene is always regard as a succession of maltene fraction from small molecules to large molecules, and also a continuum of island- and archipelago-type structures, which is difficult to be identified accurately through current characterization methods. This limits the further study of molecular dynamics and reaction dynamics simulation of asphaltenes. In this work, a representation model of molecular composition and structure for coal-derived asphaltene is developed mainly based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) coupled with collision induced dissociation (CID) and traditional methods of nuclear magnetic resonance spectroscopy (¹³C NMR), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS). Island- and archipelago-type structures are considered qualitatively in the representation of asphaltene. The asphaltene molecules are systematic assembled using stochastic algorithms and optimized by simulated annealing algorithm according to the group contribution method. The bulk properties for simulating asphaltenes are in good agreement with the experimental results giving acceptable predictions for the composition and structure of the asphaltenes. Moreover, the representative average structure asphaltene molecules are obtained using the developed molecular similarity function, which could be applied in the further study of molecular aggregation simulation and reaction kinetics simulation.     

从特性粘数和GPC图谱获得重均分子量的新方法

本文提出了从未知样品的特性粘数和GPC图谱计算重均分子量的新方法,该方法可用于计算窄分布和宽分布的未知Mark-Houwink 常数的样品的重均分子量。用七个不同分子量和不同分布的实例验证了所提出的方法。结果与已知Mark-Houwink常数用普适校准法得到的结果一致。     

键长、价层轨道能与A─H键振动频率

键长、价层轨道能与Ａ─Ｈ键振动频率喻典，吕祖美（重庆师范学院重庆６３００４７）（重庆沙坪坝区教师进修学校重庆６３００００）关键词：氢化物，振动频率，价层轨道平均能键长振动频率的大小反映了化学键的强弱和分子的稳定性，由于测定的实验数据有限，建立简单而准...     

Relationship between the average molecular polarizabilities of polycyclic aromatic hydrocarbons and their retention indices determined on various stationary phases

The Kováts retention indices of 10 polycyclic aromatic hydrocarbons were determined on SE-30, OV-101, SE-52, OV-7 and OV-17 stationary phases. A significant correlation has been found between the retention indices and the average molecular polarizabilities of the analyzed substances. Equations were derived for the direct determination of the average molecular polarizabilities from the retention index values. The influence of the temperature on this relationship is also indicated.