络合反应中从副反应系数αM（L）计算配体浓度的新方法

本文提出从副反应系数α_(M(L))计算配体浓度的新方法。用给定的lg~α_(M(L))依次减去络合物逐级常数之差(lgK_i-lgK_(i-1))与其系数i的乘积i(lgK_j-lgK_(j+1)),直至所余之数小于将要减去的下项j(lgK_i-lgK_(i+1))。用PL取代lgKj-1,再与所余之数建立等式,即:余数=j(lgK_j—PL),从而可求出PL值。但当lg~α_(M(L))≤1时,应使用PL=lgK_1-lg(α_(M(L))-1)计算PL。     

微波溶样技术

微波溶样是近年来产生的一种崭新的有前途的分析技术。它是Koirtyohann 1975年首次引入样品制备的。1983年,Matthes提出了封闭容器微波溶样,此法综合了微波能产生的内加热和吸收极化作用达到的高温高压与     

N—苄基—单氮杂—18—冠—6与稀土（Ⅲ）硝酸盐在无水乙睛溶液中配位反应的量热滴定

用量热滴定法测定了Ｎ—苄基—单氮杂—１８—冠—６与稀土（Ⅲ）硝酸盐（Ｌａ～Ｅｒ，Ｙｂ）在无水乙睛溶液中，２９８．１５Ｋ时配位作用的热力学性质。臂型１８—冠—６对稀土硝酸盐的配位能力从Ｃｃ￣（３＋）到Ｇｄ￣（３＋）依次升高，从Ｇｄ￣（３＋）到Ｔｂ￣（３＋）有所减小。冠醚的Ｎ—苄基取代使得１８员环对Ｇｄ￣（３＋）显示了较强的配位能力和配位选择性。从热力学的观点讨论了冠醚的空腔直径和阳离子半径等对配位稳定性的影响。     

Sedimentation of Rigid Cylindrical Particles with Mechanical Contacts

A collision model of two cylindrical particles is put forward. Based on the model the sedimentation of rigid cylindrical particles with mechanical contacts is simulated numerically by using the lattice Boltzmann method. Some numerical results are compared with the experimental ones given by us and others, and good agreements are found. In the sedimentation process, particles will rotate and drift at any initial orientation and terminal Reynolds number. The orientation, lateral position, drifty and sedimenting velocity of particles change periodically at small terminal Reynolds number. With the increasing terminal Reynolds number, the periodicity disappears, and an inverted T-structure forms. This structure appears more quickly and lasts for a longer time at larger terminal Reynolds number.     

100MeV强流质子回旋加速器高频腔公差研究

针对中国原子能科学研究院正在设计的IOOMeV强流质子回旋加速器,研究并提出高频腔公差.高频腔的误差包括加工安装的误差和重力引起的D板变形.加工安装误差的存在干扰束团的径向和轴向运动,用理论分析和数值模拟相结合的方法给出加工安装的公差;D板的重力变形引起加速间隙的轴向错位从而使束团产生轴向的相干振荡,计算结果表明目前结构的D板变形在允许范围内     

S9^11＋离子能级和振子强度

用组态相互作用程序ＣＩＶ３计算了Ｓｉ＾１１＋离子能级和振子强度。在计算中，考虑了一个电子保持在Ｉｓ轨道上，其余两个电子各种布居组态的组态相互作用。这种方法大大地改善了振子强度的计算结果。     

Distribution of Orientations in Fibre Suspension Flowing in a Turbulent Boundary Layer

The equation of probability distribution function for mean fibre orientation in a turbulent boundary layer is derived, in which the correlation terms of the fluctuating velocity, fluctuating angular velocity with the fluctuating probability distribution function are related to the gradient of mean probability distribution function and the dispersion coefficients in order to make the equation be solvable. The finite-difference method is used to solve the equation numerically. The results show that the fibres tend to align with the streamline, which is in agreement qualitatively with the experimental result given by visualization. The fibre aspect-ratio has a significant effect on the orientation distribution of fibres, while the effect of the distance from the wall is negligible.     

An Alternative Approach for Determining Photoionization Rate in H2^＋：Numerical Results

We present an alternative approach for determining the photoionization rate of hydrogen molecules under the interaction of intense light, by calculating the spatial overlap integral between the potential function and the time-dependent wavefunction. The suggested method was applied to varying excitation pulse shapes: square envelope and chirped hyperbolic secant envelope. The computed results confirmed that our method was robust and could be extended to general molecular dynamics calculations.     

气固两相混合层流场双向耦合的数值研究

采用双向耦合模型对有涡配对的二维气固两相混合展数值模拟,在考虑颗粒对流场反作用基础上进一步对颗粒间通过流体的相互作用进行分析。流场用拟谱方法求解,颗粒用颗粒轨道模型跟踪。结果发现,流场中大涡卷起和配对仍居主导地位;颗粒Ｓｔ数为Ｏ（０．１）～Ｏ（１）时,颗粒减弱了流场雷诺应力强度,加快涡量扩散; Ｓｔ数为Ｏ（１）时,颗粒分布极不均匀,主要集中在渴的边缘．     

测定人血清白蛋白的荧光光纤流动免疫分析系统

用新型荧光光纤免疫传感流动分析测试系统,对人血清白蛋白（HSA）进行测试;将偶联于微晶纤维素表面形成的HSA固相抗体与待测HSA（抗原）、荧光标记抗原（FTTC－HSA）竞争性结合。经稀碱液处理,固相载体与抗原抗体复合物分离,用新型荧光光纤免疫传感流动分析系统测定解析液的荧光值,以求得待测HSA的含量;该法检出限为0．1g/L,日内RSD0．91％－6．4％,日间RSD1．8％－8．0％,加标回收率91％－120％;用该法测定注射用HSA,与临床检验常用的溴甲酚绿化对照,具有良好的相关性（r=0.9808)。