INTERSECTION POINT RULE OF THE RETENTION VALUE AND MOBILE PHASE COMPOSITION OF THE HOMOLOGUES IN REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY

Based on the intersection point rule of the retention value and normal boiling point of homologues in reversed-phase high-performance liquid chromatography(RPLC), the intersection point rule of the retention value of homologues and mobile phase composition has been derived, and was testified by a lot of experimental data from the literature. With this newly proposed equation, we can use the retention value of the compound in one mobile phase composition to predict its retention value in any other mobile phase composition. For fourteen groups of homologues in five mobile phase compositions on five Kinds of columns, the overall average absolute error of 721 data sets is 2.8%.

First Step in Dissociation Process in the Gas Phase for Small Molecules with Neutral Atoms: Application with the Even-Odd Rule and a Specific Periodic Table for Organic and Inorganic Atoms

Dissociations in the gas phase of small molecules have been intensively studied and dissociation energies of various gases are available in reference works. Configurations of compounds before and after the dissociation are usually known, but local charges are not defined. Building on the even-odd rule, the topic of a series of previous articles by the same author, the objective of this paper is to show how it can be used to give electronic rules for dissociations in gases. To this end, a specific periodic table is created and used. The rules are applied to a selection of more than 30 common molecules, showing that the even-odd rule and its consequences are useful in explaining the phenomenon of dissociation in gases.

Stability in Liquid Phases of Molecular Compounds Composed of Saturated Atoms: Application with the Even-Odd Rule and a Specific Periodic Table for Liquids

Building on the idea that molecules in liquid phase associate into multi-molecular complexes through covalent bonds, the present article focuses on the possible structures of these complexes. Saturation at atomic level is a key concept to understand where connections occur and how far molecules aggregate. A periodic table for liquids with saturation levels is proposed, in agreement with the even-odd rule, for both organic and inorganic elements. With the aim at reaching the most stable complexes, meaning no other chemical reactions can occur in the liquid phase, the structure of complexes resulting from liquefaction of about 30 molecules is devised. The article concludes that complexes in liquids generally assume rounded shapes of an intermediate size between gas and solid structures. It shows that saturation and covalent bonds alone can explain the specific properties of liquids. While it is generally acknowledged that molecular energy in gases and solids are respectively linear kinetic and vibratory, we suggest that rotatory energy dominates in liquids.

相变:生产方式如何塑造财产规则

当前关于数字时代财产权利的讨论持续不断,基本上可以分为两种类型:一种是针对较为具体的虚拟物品(如信息内容、游戏装备、账号、数据、虚拟币等),在特定场景中沿着既有法律框架或概念进行分析;一种则试图在原理上阐明数字时代究竟何种对象能够适用财产规则进行更好的保护,以及这种财产规则的构成要件为何,如按照“权利束”或“模块化”框架加以应用。有必要转换角度提问,即成熟的财产权利制度出现,不是因为法律研究主张为何种事物或利益赋予财产权就能自动实现,而是赋权的外部环境成熟了,才会催生相关利益主体提出主张,并推动相关利益在法律上得到确认和保护。违背生产秩序的产权结构和财产规则不可能出现在数字时代,在生产方式进行巨大调整时,财产规则和其他部门法律规则一样,都面临着双重历史任务:一是“破”,即挑战并打破传统制度,允许要素超越既有生产过程低成本流动;一是“立”,即根据生产方式要求树立反映特殊性的新制度,重新商定哪些要素和利益允许参与者继续占有和使用,划定边界。

二组分体系气液平衡相图实验的再讨论与改进

在传统二组分体系气液相平衡相图实验中使用的沸点测定仪虽盛行多年,却暗藏一个未被关注而影响深刻的理论性设计缺陷,系统内由于气相冷凝液的产生使相数增加而违背了相律,冷凝水的温度对气相冷凝液的组成有明显影响。该文在理论和应用层面分析和探讨了原有装置存在的主要问题,重新设计了二组分体系气液平衡相图原位测试装置。该装置可实现对气相物质的原位监测而不需要产生气相冷凝液,能够消除传统实验在理论建立和测试应用中长期存在的矛盾点,解决物理化学实验教学中的这一问题,使实验装置符合实验原理,提高了实验精确度,可为物理化学实验仪器的开发提供借鉴。

一种基于约束规则的航天器全相位交会对接程序规划方法

针对载人航天领域交会对接过程,设计了一种基于约束规则的程序规划方法,将飞行程序按照相关性划分为飞控事件,将事件约束与时间或圈次解耦,形成适用全相位交会对接的规划配置体系,通过一套配置实现各正常、应急分支程序的规划生成,相比传统基于时序的程序设计方法,提高配置的适应性,提高程序设计效率,为后续交会对接程序规划设计提供参考。

高明利教授治疗痛风性关节炎急性期的用药规律

目的:应用数据挖掘的科研方法分析高明利教授辨治痛风性关节炎急性期的药物组方原则及用药规律,为临床用药提供科学的依据。方法:收集2017年1月15日至2021年12月15日在辽宁中医药大学附属医院风湿科高明利教授门诊就诊的206例痛风性关节炎急性期患者的病例数据及首诊处方,对性别、年龄、四气五味、归经、药物功效、药物的频次进行分析;采用软件IBM SPSS Modeler 18.0、SPSS 26.0对数据进行复杂网络分析、关联规则分析及聚类分析。结果:对206例病例数据进行整理,男女比为40∶1,涉及药物135味,频次最高的药物为萆薢、泽泻、知母、薏苡仁;四气多为寒、平、温;五味多为苦、甘、辛,归经多为肾、胃、肝三经。药物类别清热药、利水渗湿药、祛风湿药应用居多。关联规则分析得出常用药对及药物组,高频药物聚类分析共聚5大类。结论:高明利教授治疗痛风性关节炎急性期以清热药、利水渗湿药及祛风湿药为基准,重用清热药与利水渗湿药,用以清热利湿、通络止痛,在性味归经上重用苦寒之品,多选择从肾经上加以干预,治疗多以清热利湿为中心,佐用健脾、活血、引经、补益、解表、散结、止痛等药物。

鼻疗法治疗偏头痛发作期的用药规律研究

目的:基于数据挖掘探讨鼻疗法治疗偏头痛发作期的用药规律。方法:检索中国知网数据库(CNKI)、万方医学网、维普中文科技期刊数据库(VIP),双人筛选文献并录入数据,建立数据库。采用数据挖掘技术(频数分析、关联规则、聚类分析)对纳入文献药物进行分析。结果:共筛选出鼻疗法治疗偏头痛发作期的临床研究文献38篇,涉及中药处方38首和32味中药,药物总使用频次181次。7味中药使用频次≥6次,依次是川芎、冰片、白芷、细辛、羌活、薄荷、制远志,药物功效以解表药、活血化瘀药、开窍药、温里药最为多见,性味以辛温多见,药物归经多见肺经。关联规则分析中,支持度大于40%,得出关联药对5组,均以川芎为后项,配伍白芷、冰片、细辛。核心药物聚类分析大致分为2个类别。结论:通过数据挖掘鼻疗法治疗偏头痛发作期的用药规律,一定程度上为临床用药及新药研发提供思路。

基于运气因素探讨心系疾病发病及用药规律——以辛丑年为例

五运六气理论是中医学理论的重要组成部分,是先人们在长期的生产生活过程中积累的宝贵经验,对疾病的发生、发展、预防、调护等方面有独到的见解。该文从五运六气角度出发,以辛丑年为例分析运气特点,探究运气因素对心系疾病发作的影响,总结用药规律。辛丑年水运不及,太阴湿土司天,太阳寒水在泉,根据各气特点加减:初之气佐以疏风通络,二之气佐以泻心火滋肾水,三之气佐以清暑利湿,四之气佐以健脾利湿,五之气佐以养阴润肺,终之气佐以温补阳气。辛丑年选药组方多燥之、温之,佐以运化脾胃、慎用寒凉,以防助湿,为治疗心系疾病提供新思路。

Calculation of the Phase Equilibrium of CO2–Hydrocarbon Binary Mixtures by PR-BM EOS and PR EOS

The phase equilibrium data of CO2 hydrocarbon binary mixtures are important for the design and operation of CO 2 ood- ing, coal liquefaction, and supercritical extraction processes. Numerous pieces of binary phase equilibrium data have been obtained. Thus, models for the accurate calculation of binary and multicomponent mixtures must be developed on the basis of existing data. In this work, 3578 vapor liquid phase equilibrium data points for 10 CO 2 hydrocarbon binary mixtures, including CO2 butane, CO 2 pentane, CO 2 isopentane, C O 2 hexane, CO 2 benzene, CO 2 heptane, CO 2 octane, C O 2 non- ane, CO 2 decane, and C O 2 undecane, were collected. The PR and PR-BM equations of state (EOS) in combination with relevant mixing rules were used to calculate the phase equilibrium data of the CO 2 hydrocarbon binary mixtures. The binary interaction parameter k ij in the PR EOS was temperature independent, whereas parameters in the PR-BM EOS were functions of temperature. Thus, the phase equilibrium data and other thermodynamic properties of the binary and multicomponent mixtures at di erent temperatures and pressures can be calculated by using the parameters obtained in this work. The PR-BM EOS performed better than the PR EOS, and the average absolute deviations over the temperature range of 255.98 408.15 K calculated by the PR EOS and PR-BM EOS were less than 5.74% and 3.36%, respectively. The results calculated by the two EOS were compared with those calculated by other models, such as PPR78, PR + LCVM + UNIFAC, KIE + PR EOS + HV, and PSRK. The phase equilibrium data of CO 2 butane decane, CO 2 hexane decane, and C O 2 octane decane ternary mixtures were calculated by the two EOS. The average overall deviations for the CO 2 mole fractions calculated by the two EOS were less than 7.66%.

NON-CUBIC EQUATION OF STATE FOR PHASE EQUILIBRIUM CALCULATIONS

A new non-cubic equation of state is proposed for calculation of the thermodynamic properties ofnonpolar and polar fluids and their mixtures,including,saturated vapor pressure,saturated liquid volume,saturated vapor volume,heats of vaporization and vapor-liquid equilibria.The new equation is derived from thegeneralized van der Waals partition function in which the repulsive terms are expressed with the Carnahan andStarling equation for hard spheres,and the attractive terms are made up of the dispersive energy and theChemical association energy. The rules of dependence of parameters α and σ and on temperature are considered broadly so that the newequation yields good agreement with experimental saturated properties of 20 nonpolar and 27 polar fluids in therange of reduced temperatures of 0.5 to 1.0 The new equation with parameters group-contributed generally givessatisfactory predictions on saturated properties. Correlations of vapor-liquid equilibrium data for alcohol-containing systems by using van

PHASE DIAGRAMS OF THE BINARY SYSTEMS TbCl_3-MCl_n(M=Li,Mg,Ca,Pb;n=1 or 2)

The phase diagrams of the binary systems RECl3-MCln（M=Li,Mg,Ca,Pb;n=1 or 2）were investigated bymeans of DTA and X-ray diffraction analysis.It was found that they are of simple eutectic type with eutectic points50.1 Mol.-% TBCl3（445℃）,67.5Mol.-% TbCl3（589℃）,65.9Mol.-% TbCl563℃and 35.6 Mol.-%TbCl3（445℃）respectively.Unstable compounds,formed in the solid slate,are MgTbCl7,CaTb2Cl8,LiTb2Cl7 andPbTbCl5.Their decomposition temperatures are 388℃ with a phase transition at 352,500 and 521℃ with a phasetransition at 483 and 405℃ respectively.Some rules of the phase diagrams were explored.

人工神经网络在材料加工中的应用及展望

随着计算机技术的发展,“材料基因组计划”的推行促进了数据驱动技术在材料加工中的应用发展。人工神经网络因具有自学习、信息存储、联想记忆及高速寻求最优解等能力而广泛应用于材料设计、材料性能预测、工艺条件最优参数确定等材料科学技术研究方面,改变了传统上采用“试错法”进行的实验研究。综述了人工神经网络的基本理论及发展历程,对其在国内外在材料性能预测、材料设计优化和相变规律预测3个方面的应用发展进行了概括性总结,探究了人工神经网络在材料加工方面存在的不足,并对其未来的发展进行了展望。

PHASE DIAGRAM OF PrCl_3-SrCl_2-CaCl_2 SYSTEM

Five fields corresponding to the primary crystallization of PrCl_3,Sr_3PrCl_9,α(SrCl_2, CaCl_2),α_1(CaCl_2,SrCl_2)and α_2(SrCl_2,CaCl_2)respectively,six univariant lines related to the secondary crystallization,one ternary eutectic(48.0 wt-％ PrCl_3,23.5 wt-％ SrCl_2; 590℃)and ternary peritectic point(45.5 wt-％ PrCl_3,24.5 wt-％ SrCl_2;614℃) were determined by DTA.Attempts were also made to explore the rule governing the alteration in the phase diagram containing rare earth chloride,formation of compound and its stability by means of polarization and counter-polarization.

PHASE EQUILIBRIUM OF COMPLEX MIXTURES WITH EQUATIONS OF STATE: AN UPDATE5

Here we review a new class of mixing rules (hat have extended range of mixtures and conditions that can now be described by equation of state models. One characteristic of these mixing rules is that they simultaneously satisfy the boundary conditions of producing a second virial coefficient that is quadratic in mole fraction, and a free energy of mixing like that of an activity coefficient model at high density, though the mixing rule is itself independent of density. We show that using this mixing rule, various asymmetric, highly nonideal mixtures can be accurately described. One serendipitous result is that the parameters in this mixing rule model are almost independent of temperature, which allows accurate extrapolations of phase behavior to be made over large ranges of temperature and pressure.

Optimization of Mapping Rule of Bit-Interleaved Turbo Coded Modulation with 16QAM

Optimization of mapping rule of bit-interleaved Turbo coded modulation with 16 quadrature amplitude modulation (QAM) is investigated based on different impacts of various encoded bits sequence on Turbo decoding performance. Furthermore, bit-interleaved in-phase and quadrature phase (I-Q) Turbo coded modulation scheme are designed similarly with I-Q trellis coded modulation (TCM). Through performance evaluation and analysis, it can be seen that the novel mapping rule outperforms traditional one and the I-Q Turbo coded modulation can not achieve good performance as expected. Therefore, there is not obvious advantage in using I-Q method in bit-interleaved Turbo coded modulation.

Physical Nanoindentation: From Penetration Resistance to Phase-Transition Energies

-The ISO standard 14577 is challenged for its violation of the energy law, its wrong relation of normal force FN with impression depth h, and for its iterative treatments. The solution of this dilemma is the use of sacrosanct simplest calculation rules for the loading parabola (now FN = kh3/2) giving straight lines for cones, pyramids and wedges. They provide the physical penetration resistance hardness k with dimension [Nm-3/2] and allow for non-iterative calculations with closed formulas, using simple undeniable calculation rules. The physically correct FN versus h3/2 plot is universally valid. It separates out the most common surface effects and reveals gradients. It provides unmatched precision, including reliability checks of experimental data. Regression analysis of FN versus h3/2 plots reveals eventual unsteadiness kink phase-transition onset with the transition-energy. This is shown for all kinds of solid materials, including salts, silicon, organics, polymers, composites, and superalloys. Exothermic and endothermic single and consecutive multiple phase-transitions with their surface dependence are distinguished and the results compared in 5 Tables. The sharp phase-transition onsets and the transition energies provide unprecedented most important materials’ characteristics that are indispensable for safety reasons. ISO ASTM is thus urged to thoroughly revise ISO 14577 and to work out new standards for the mechanically (also thermally) stressed materials. For example, the constancy of the first phase-transition parameters must be controlled, and materials must only be admitted for maximal forces well below the first phase-transition onset. Such onset loads can now be easily calculated. The nevertheless repeated oppositions against the physical analysis of indentations rest on incredibly poor knowledge of basic mathematics, errors that are uncovered. The safety aspects caused by the present unphysical materials’ parameters are discussed.

一种探索高熵合金相形成的端到端机器学习框架

探索高熵合金(HEAs)的相形成规则对于新型合金的设计具有明确的指导意义。提出一种端到端的框架用来从特征池和模型池中分别选择特征子集和机器学习(ML)模型。在该框架中,模型池中的模型基于其获得的特征重要性来选择适合自身的特征子集;通过评估每个模型和其对应的特征子集的拟合结果,用于建立目标任务的预测模型;最终,获得影响HEAs相形成的重要因素。研究结果显示,建立的相预测模型可将430种HEAs分成5种相,测试准确度达到87.8%,并且通过分析模型发现,当原子尺寸差异大于8.295%时,HEAs的单相固溶体的形成受到抑制。

基于虚拟仿真的电力系统暂态过程中的能量分析与计算

使用RT-Lab虚拟仿真平台,建立单机-无穷大电网的电磁暂态仿真模型,研究电力系统暂态过程中加速能量、减速能量以及损耗能量的计算方法,编写相关程序。以单相接地、两相接地短路为例,计算加速、减速过程中的能量以及损耗能量,表明了暂态过程中的能量守恒。研究了强行励磁、快关汽门对电力系统暂态过程中加、减速能量的影响。建立虚拟仿真实验及提出能量计算方法有助于学生深刻地理解电力系统暂态过程中的能量守恒,更加准确地掌握等面积定则的使用方法。

Research of Recycled Salt and Glauber' Salt Precipitation Rules of Yabulai Salt Lake Brine

1 Introduction The main production of Yabulai salt lake was original salt and recycled salt many years ago.After decade’s production,the sale lake resource is more and more deficient.Glauber’s salt and magnesium salt are concentrated in brine now.It could affect the quality of the salt.In recent years,research had done much work to