天然糖甙类化合物^13C—NMR位移范围规律的计算机解析方法

本文从糖甙类化合物的数据特点出发,用较严格的数学推导总结出原则上适用于任何类型的~(13)C-NMR 图谱化学位移范围规律计算机自动解析的方法,并从多方面说明了该方法的研究及实现对实际的~(13)C-NMR 图谱解析工作的意义和重要作用。     

The fracture stress of chemical vapour deposited diamond

The factors which control the fracture stress of chemical vapour deposited diamond have been studied using the 3-point bend geometry. Fracture stress values of 300–800 MPa for the growth side and 600–1200 MPa for the nucleation side were recorded for samples of thickness 0.4–2.4 mm. A Weibull modulus of 23 was calculated for the growth surface data, showing that the fracture stress variability was low for a brittle material. A theory based on these results demonstrates that the material behaviour is remarkably simple, depending only on the grain size and the sample thickness, regardless of wide variations in other parameters such as optical transmission and stress state. The paper also contains a possible explanation for this well-defined behaviour based on microstress variations resulting from differences in defect density in different growth sectors within a grain.     

Possible tactics to improve the growth of single-walled carbon nanotubes by chemical vapor deposition

The growth time, growth mode and the method of preparing the supported catalysts play an important role in the growth of single-walled nanotubes (SWNTs). Their effects on the chemical vapor deposition (CVD) growth of SWNTs with MgO-supported catalysts were investigated in this study. It is shown that the growth rate of SWNTs was large during the initial few minutes of growth, however the quality of the tubes was low owing to the formation of many defects. Long term growth may favor the formation of tubes with high quality and high yield, but the introduction of other forms of carbon (impurities) is also unavoidable. There was a balance between the increase in yield and quality and sacrifice of the purity during growth of SWNTs. MgO-supported catalysts prepared by the co-precipitation method were found to be more effective for the synthesis of SWNTs than those prepared by the widely used impregnation method. The size and dispersion state of the catalyst were found to be crucial in enhancing the growth of SWNTs. In addition, growth on the surface of SWNTs over nanosized catalyst films was shown to be more favorable for the synthesis of tube products with higher quality, yield and purity.     

Study of the solid-liquid equilibria in the LiPO3-Y(PO3)3 binary system

The LiPO₃-Y(PO₃)₃ system has been studied for the first time. Microdifferential thermal analysis (μ-DTA), infrared spectroscopy (IR) and X-ray diffraction were used to investigate the liquidus and solidus relations. The only new compound observed within this system is LiY(PO₃)₄, melting incongruently at 1104 K. An eutectic appears at 4±1 mol% Y(PO₃)₃ at 933 K. LiY(PO₃)₄ crystallizes in the monoclinic system C_2/c with a unit cell: a=16.201(4) Å, b=7.013(2) Å, c=9.573(2) Å, β=125.589(9)°, Z=4 and V=884.5 Å³, which is isostructural to LiNd(PO₃)₄. The infrared absorption spectrum indicates that this salt is a chain polyphosphate.     

Electrochemical improvement of low-temperature petroleum cokes by chemical oxidation with H2O2 for their use as anodes in lithium ion batteries

The electrochemical performance of non-graphitized petroleum cokes has been improved by mild oxidation using hydrogen peroxide, a procedure used for the first time in these materials. For this purpose, various carbonisation temperatures and H₂O₂ treatments were tested. For low sulfur content cokes, the aqueous oxidative treatment significantly increases the capacity values above 372 mAh/g during the first cycles. In contrast, cokes with a sulfur content of ca. 5%, did not shown a real improvement. The former results have been interpreted in terms of an effective oxidation of the particles surface, which removes unorganized carbon, where lithium can be irreversibly trapped. Moreover, a stable and less resistive passivating layer grows during the first discharge of lithium, as revealed by impedance spectroscopy. Therefore, chemical procedures, as mild oxidation, open an interesting field of research for the improvement of disordered carbons as anode materials in lithium ion batteries.     

Danckwerts’ law for mean residence time revisited

This paper shows that Danckwerts’ law for mean residence time in a vessel with continuous and steady throughflow holds for a stochastic model based on a Markov chain for the particle spatial position, under a set of three very general conditions on the transfer probabilities. These are natural conditions and represent mass balance conditions on the transfer between spatial regions in the process. It is shown that a stochastic model for particle residence time distribution with these three conditions may describe almost any physical flow configuration, and also covers published mathematical RTD models, independent of their mathematical form or the nature of the associated boundary conditions, models for which Danckwert's law has hitherto been shown to be satisfied on a case-by-case basis. Two examples, namely those birth-death Markov chains and fluidized bed models are discussed.     

注高温热水管线缓蚀,阻垢实验研究

针对辽河油田高凝油区块注高温热水(85—95℃)引起的腐蚀、结垢,开展了室内和现场缓蚀、阻垢试验;分析了不同温度下注水的腐蚀情况,对比、考察了不同的缓蚀剂、阻垢剂及其复配物,得出了如下认识:在注高温热水条件下直接采用常温下使用的防腐蚀、防垢方法是不可行的,必须有针对性地进行高温条件下防腐蚀、防垢的实验研究工作。     

The significance of chemical markers in the bioprocessing of fossil fuels

Biochemical conversion of crude oils is a multi-step process proceeding through a series of biochemical reactions. These reactions can be characterized by a set of chemical markers which are associated with the chemical composition of crude oils. Reactions with heavy crude oils indicate that there is an overall decrease in the concentration and chemical speciation of organic sulfur compounds, and a redistribution of hydrocarbons and organometallic species. The contents of trace metals in the crude oils, such as nickel and vanadium, also decrease. Further, heavy ends of crudes, containing the asphaltenes and the polar nitrogen, sulfur, and oxygen containing fractions, as well as the organometallic compounds and complexes, are biochemically converted to lower molecular weight chemical species. In the studies reported in this paper, microorganisms used to mediate such reactions were thermophilic ( > 60°C) and pressure tolerant (up to 2500 psi). These organisms are also capable of biochemical conversion of bituminous and lignite coals in an analogous manner to their action on crude oils and follow similar trends characterized by chemical markers. For example, X-ray absorption near-edge structural (XANES) analyses of biotreated crude oils and low grade coals show that biochemical reactions lead to decreases in organic sulfides and thiophenes with a concurrent increase in sulfoxide contents. Chemically related constituents present in heavy crude oil fractions and low grade coals are the asphaltenes. Asphaltenes are complex structures containing heteroatoms and metals involved in inter- and intra-molecular bridges and stereochemical configurations. The chemical markers associated with the biochemical conversion of oils and coals indicate multiple biochemical processes involving chemical reactions at sites containing heteroatoms and metals leading to a breakdown of the structure(s) to smaller molecular weight units. Thus, using chemical markers as diagnostic tools, the extent and the efficiency of fossil fuel bioconversion may be predicted and monitored, allowing for better cost-efficient field trials. Recent results in this area will be presented and discussed in this paper.     

高放废液化学成分分析

概述了高放废液中25种阳离子、5种阴离子以及总蒸残物、总氧化物、密度和游离酸的分析方法。对核燃料后处理高放废液进行取样分析,其主要化学成分采用两种以上不同原理的方法作对比测定,结果相互符合情况良好,为高放废液处理处置研究设计,提供了完整、准确的基础数据。