溶剂萃取法制备碳酸盐的热力学讨论

向金属氯化物(Ⅰ)的水溶液中通入CO_2气体,以期制备相应的碳酸盐和酸式碳酸盐,在常温常压下,体系的△G>0,反应几乎是不可能的。向反应体系中加入有机溶剂(S),使生成的HCl即被萃取,可促进Ⅰ的继续转化。分析计算表明,S对HCl必须有很强的萃取能力,其K_萃须在10~5以上。研究了加入有机溶剂N_(235)前后,体系的热力学状态、函数及其变化。加入N_(235)后,K_萃值增大了5个数量级。考察了温度、时间和通气次数对系统热力学性质的影响。根据反应的耦合原理和热力学分析,提出萃取剂选择的原则。结合实验数据的估算说明:溶剂萃取法由Ⅰ和CO_2制备碳酸盐的工艺路线是可行的。     

Chiral separation of 1,1'-bi-2-naphthol and its analogue on molecular imprinting monolithic columns by HPLC

Two molecular imprinting polymer (MIP) monolithic columns with (S)-(-)-1,1'-bi-2-naphthol and (R)-(+)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol as the templating molecules, respectively, have been prepared by in situ polymerization using 4-vinylpyridine and ethylene dimethacrylate as functional monomer and cross-linker, respectively. The columns with good flow-through properties were obtained by changing the molar ratio of the functional monomer and the template molecule. The effects of mobile-phase composition on separation of enantiomers were systematically investigated. The results indicate that hydrophobic interaction in aqueous solution and hydrogen-bonding interaction in ACN between the enantiomers and polymers could play important roles in the retention and resolution. The effects of chromatographic conditions, such as flow rate, column temperature, sample loading, on the enantioseparation were also studied. Further, these two MIP columns show a cross-reactivity.     

果蔬中L—抗坏血酸的示波计时电位K3Fe（CN）6滴定法研究

本文报导的方法是在南京大学高鸿教授研究的K_3Fe(CN)_6示波极谱滴定法(在PH8的K_2HPO_4—KH_2PO_4—KBr底液中,用0.04660mol/LK_3Fe(CN)_6标准溶液对纯抗坏血酸测定)的基础上,考虑到L—抗坏血酸(以下简称V_e)在碱性、中性介质中稳定性差,如用于V_e含量很微的果蔬测定,对结果影响大。本文改为H_2C_2O_4—KBr的酸性介质作底液,用     

First-order mean spherical approximation for inhomogeneous fluids

The first-order mean-spherical approximation (FMSA) [Y. Tang, J. Chem. Phys., 118, 4140 (2003)] is extended to the studies of inhomogeneous fluids by combining with Rosenfeld's perturbative method [Y. Rosenfeld, J. Chem. Phys. 98, 8126 (1993)]. In the extension, the key input-direct correlation function of FMSA-is applied to constructing the free energy density functional. Preserving its high fidelity at the bulk limit, the FMSA shows satisfactory performance for Yukawa fluids near hard and attractive walls. The results are better than or comparable to several other theories reported before for the geometry. The FMSA is found, in particular, more satisfactory than the traditional mean-field theory for predicting density profiles around hard walls. The FMSA is also compared with the full MSA for inhomogeneous fluids, showing no appreciable differences. The inhomogeneous FMSA goes successfully through the self-consistency test for reproducing the radial distribution function of the bulk Yukawa fluid. As far as the computation is concerned, the FMSA can be executed much faster than any nonmean-field theories, and the speed is virtually identical to that of the mean-field theory.     

Quantum scattering calculation of the O(1D)+HBr reaction

Three-dimensional time-dependent quantum wave packet calculation for the O((1)D)+HBr reaction has been carried out using an accurate ab initio global potential energy surface [K. A. Peterson, J. Chem. Phys. 113, 4598 (2000)]. The calculations show that the initial state-selected reaction probabilities are dominated by resonance structures, and the lifetime of the resonance is generally in the subpicosecond time scale. The energy dependence of the reaction cross section is computed, which manifests still resonance structures, and is a decreasing function of the translational energy. The thermal rate constants are also computed, which are nearly independent on the temperature. The calculation results are discussed and compared to similar reaction with deep well.     

基于轻量化深度学习网络的数字仪表识别

数字式仪表常用于变电站、工厂等生产环境,是一种直观的设备监测仪器。然而当前数字式仪表的读取方式还依赖于人工巡检,手动记录等,这些传统的巡检方式来监测设备的运行状态大大降低了巡检效率。为了实现传统行业的数字化转型,本文提出基于轻量化深度学习的数字仪表识别方法,通过改进的YOLOv5的目标检测框架,针对数字仪表目标区域在整张图片大小不一致的情况,提出对于感兴趣区域（ROI）的迭代目标检测方法,首次检测将感兴趣区域进行检测并切割统一到相同的尺度,随后迭代检测网络针对感兴趣区域内的字符进行检测并分类,以达到精确读数的目的。为提升多尺度检测性能,本文采用Res2Net模块主干网络中的的残差模块。采用GIoU取代通用的IoU作为位置损失函数加速模型训练效果的收敛。实验表明,改进后的框架实现了99.62%的准确率和99.55%的召回率,相比基线网络分别提升了12.72%和5.85%。通过将框架在边缘计算平台上的终端部署,在实际生产中取代了人工巡检,实现了商业化运行。     

On a Damped Vibration Problem Involving p-Laplacian Operator: Fast Homoclinic Orbits

In this paper, we deal with the nonlinear second-order differential equation with damped vibration term involving p-Laplacian operator. Of particular interest is the resolution of an open problem. An interesting outcome from our result is that we can obtain the fast homoclinic solution with general superlinear growth assumption in suitable Sobolev space. To our knowledge, our theorems appear to be the first such result about damped vibration problem with p-Laplacian operator.     

Codimension two immersions of oriented Grassmann manifolds

In this paper we prove that there exist no codimension two immersions of oriented Grassmann manifolds into Euclidean spaces, except for , and spheres. The project supported partially by NSFC, SECC and CAS     

Liquid chromatographic determination of the plasticizer di(2-ethylhexyl) phthalate (DEHP) in PVC plastics

A fast, simple and reliable method for the analysis of DEHP in PVC products was developed using a one-step Soxhlet extraction prior to HPLC determination. The linear range from 1.25 /g to 250 mg/g of DEHP in PVC was found sufficient to cover the normal concentrations encountered. The reliability of the method was established by comparison with the ASTM method and no potential interferent was identified except a large concentration of DIMP.