加氢空冷器腐蚀产物漂移特性的数值模拟与分析

分析加氢反应流出物空冷器(Reactor effluent air coolers,REAC)系统的工艺关联过程,揭示空冷器内NH4Cl、NH4HS及FeS等腐蚀产物的形成机理,建立腐蚀产物漂移沉积的数理模型;采用Mixture多相流模型和DPM(Discrete phase model)模型,模拟流动环境下加氢REAC系统中腐蚀产物的漂移沉积特性。结果表明,加氢REAC系统入口法兰处的结构突变,加剧了壁面边界层的紊动状态,气、液相间产生剪切作用对颗粒相起加速拖曳作用;液相分率、颗粒停留时间分布及沉积速率应作为加氢空冷器内腐蚀产物漂移沉积预测的关键参数,液相分率低、颗粒停留时间长和颗粒漂移沉积速率高的区域是出现腐蚀产物堵塞管束的高风险区域。数值预测的结果与红外热成像测得的表面温度场和管箱开盖的解剖结果基本吻合。

天然橡胶热解行为的分子动力学模拟研究

为了了解天然橡胶热解过程及其热解产物,本文基于AMBER力场,对聚合度为10的橡胶模型的热解过程进行分子动力学模拟。建立周期性边界条件,分子力场采用谐振子模型计算键角弯曲能和键伸缩能,并通过Hyperchem软件进行热解模拟。模拟结果表明,在低温加热过程中,原子内部结构发生了一些物理变化,原子之间的键长变大,键角变得弯曲,原子间二面角增大,但由于范德华力与静电的限制,没有出现化学键的断裂;当温度达到600K左右时,分子键会发生断裂,形成各种大分子碎片,产物主要以液态油形式存在,粘性大,随着温度进一步升高,大分子碎片会分解成小分子碎片,气体产物增加,粘性变小。由此说明,温度对橡胶产物的影响较大,不同的温度下所获得的产物不同,因此,可以通过控制温度来获得所需的物质。该研究对于回收利用废橡胶具有重要意义。

温度对SM80SS套管钢在CO_2/H_2S共存环境中的高温高压腐蚀行为影响

用失重法、扫描电镜(SEM)、X射线能谱(EDS)及X射线能谱(XRD)对温度对SM80SS特级抗硫套管钢在CO2/H2S共存条件下的腐蚀行为进行了试验研究,结果表明:在试验条件下,低温(40℃)时,腐蚀速率较小,腐蚀产物为FeCO3和FeS0.9,膜颗粒细小、比较致密,平均腐蚀速率较小;温度逐渐升高至100℃左右时,腐蚀产物为FeCO3和FeS0.9,膜颗粒粗大、疏松,平均腐蚀速率最大;高温(150℃)时,腐蚀速率较小,腐蚀产物为FeO(OH)和FeCO3、FeS0.9,膜颗粒较小、致密,但比低温时明显粗大,平均腐蚀速率较小;高低温时腐蚀产物都有较好的局部腐蚀阻碍作用,腐蚀形式为均匀腐蚀。

Detection and Sequence Analysis of Escherichia coli Virulence Genes

[Objective] This study aimed to explore the pathogenic mechanism of E., cherichia coll. [Method] An E. coil strain isolated from raccoon dogs in vivo was studied, which had been identified, PCR was used to detect the gene of irp2 （301 bp） and fyuA （953 bp） related to E. coil virulence and PCR products were s, quenced. [Result] The genes of irp2 and fyuA were successfully amplified in boi strains isolated from raccoon dogs. Compared with the GenBank, the identity of tTr irp2 gene sequence and the fyuA gene sequence of the strain reached 98.5% 99.2% and 98.9%-100% respectively. Compared with each other, the identity of tt- two gene sequences of irp2 was 99.3%, and that between the two fyuA gene se quences was 98.9%. [Conclusion] This study provided scientific experimental data fi E. coil pathogenicity, prevention, diagnosis and treatment.

环糊精葡萄糖基转移酶特性研究及来源菌株的筛选改造

由于环糊精在食品、化妆品、环境保护、医药、生物转换及纺织业等领域得到了广泛的应用,这使得催化环糊精形成的环糊精葡萄糖基转移酶(CGTase)日益得到了人们的重视。本文主要对环糊精葡萄糖基转移酶的结构特征,产物专一性机理,催化的反应类型,影响酶活及产物的因素,酶生产菌株的筛选及改造进行了综述。

Polymerization Mechanism of α-Linear Olefin

The density functional theory on the level of B3LYP/6-31G was empolyed to study the chain growth mechanism in polymerization process of α-linear olefin in TiCl3/AlEt2Cl catalytic system to synthesize drag reduction agent. Full parameter optimization without symmetry restrictions for reactants, products, the possible transition states, and intermediates was calculated. Vibration frequency was analyzed for all of stagnation points on the potential energy surface at the same theoretical level. The internal reaction coordinate was calculated from the transition states to reactants and products respectively. The results showed as flloes： （i） Coordination compounds were formed on the optimum configuration of TiCl3/AlEt2Cl.（ii） The transition states were formed. The energy di？erence between transition states and the coordination compounds was 40.687 kJ/mol. （iii） Double bond opened and Ti-C（4） bond fractured, and the polymerization was completed. The calculation results also showed that the chain growth mechanism did not essentially change with the increase of carbon atom number of α-linear olefin. From the relationship between polymerization activation energy and carbon atom number of the α-linear olefin, it can be seen that the α-linear olefin monomers with 6-10 carbon atoms had low activation energy and wide range. It was optimum to synthesize drag reduction agent by polymerization.

Effects of CO_(2) gassy-supercritical phase transition on corrosion behaviors of carbon steels in saturated vapor environment

Corrosion behaviors of P110 and N80 tubular steels in CO_(2) gas phase and supercritical(S-CO_(2))phase in a saturated water vapor environment were explored in corrosion weight loss experiments by SEM,EDS,XRD,XPS and cross-section analysis techniques.With the increase in CO_(2) partial pressure,the average corrosion rate increased first and then decreased.The average corrosion rate reached the maximum value under the near-critical pressure.When CO_(2) partial pressure further increased to be above the critical pressure,the average corrosion rate gradually decreased and local aggregation of molecules was weakened.

Distribution,Properties,Land Use and Management of Mollisols in South America

Mollisols are common in South America. They cover about 8.87 × 107ha, 1.3 × 107ha and 4.3 × 106ha in Argentina, Uruguay and Southern Brazil respectively, which is 11.5% of the world total. Most of South American Mollisols were developed on Pleistocene and Holocene sediments and lie within the limits of the temperate zone, though the extreme north is bordering subtropical and the extreme south is within a cold-temperate zone. All suborders of Mollisols occur in Argentina, the most extensive being Udolls followed by Ustolls, whereas only Udolls, Aquolls and Albolls occur in Uruguay. Vertisols in Uruguay have many properties similar to Mollisols, and the occurrence of Vertisols is strongly associated with Mollisols. The Pampean Mollisols are a significant component of the global breadbasket of modem times. The main Argentine crops are wheat, corn, sorghum, barmy, soybeans and sunflower, while Mollisols in Uruguay remain mostly dedicated to cattle and sheep grazing though crop production has been increasing very rapidly in the last decade. Throughout South America, research has shown that Mollisols are experiencing losses of soil organic matter and nutrients, and degradation of physical properties after long cropping periods, resulting in soil scientists calling for increased conservation practices to reduce future losses and a deterioration of soil quality, and thus a more sustainable agriculture in the region.

Reaction Mechanism and Product Branching Ratios of OH+C2H3F Reaction:A Theoretical Study

Ab initio CCSD(T)/CBS//B3LYP/6-311G(d,p)calculations of the potential energy surface for possible dissociation channels of HOC2H3F,as well as Rice-Ramsperger-Kassel-Marcus(RRKM)calculations of rate constants,were carried out,in order to predict statistical product branching ratios in dissociation of HOC2H3F at various internal energies.The most favorable reaction pathway leading to the major CH2CHO+HF products is as the following:OH+C2H3F→i2→TS14→i6→TS9→i3→TS3→CH2CHO+HF,where the rate-determining step is HF elimination from the CO bridging position via TS11,lying above the reactants by 3.8 kcal/mol.The CH2O+CH2F products can be formed by F atom migration from Cαto Cβposition via TS14,then H migration from O to Cαposition via TS16,and C-C breaking to form the products via TS5,which is 1.8 kcal/mol lower in energy than the reactants,and 4.0 kcal/mol lower than TS11.

A New Type Machine of Mixing-molding for Polyblends

This paper introduces a new type machine for polyblends with excellent mixing capabilities of internal mixer and continuous molding character of extruder.The machine includes two functions - mixing and extrusion molding that have been composed together by rational design,so a tandem production mode - "batch + continuous" are opened up.The mathematical model of continuous mixing molding was established and verified availably by experimental research.The main physical mechanical property of vulcanizate,which had met national waterproof material standard,verified the machine practicability.The essential difference from other similar type machines is that this machine is not only suitable in producing granular and powder rubbers but also lumpish rubbers.

Formation and removal of active oxygen species for the non-catalytic CO oxidation on Au/TiO_2 catalysts

Applying quantitative temporal analysis of products reactor measurements, we studied the reactive removal of active oxygen present on Au/TiO2 catalysts after calcination at elevated temperatures （400 ＆#176;C） by CO pulses and its replenishment by O2 pulses at 80 ＆#176;C, focusing on the nature of the active oxygen species. In contrast to previous studies, which mainly focused on and clarified the nature of the active oxygen species for the catalytic CO oxidation, which is reversibly formed and replenished under typical reaction conditions, this study demonstrates that directly after calcina‐tion an additional oxygen species is present. This species is also active for the CO oxidation, but it is not or only very little formed under typical reaction conditions. Implications of these results on the mechanistic understanding of the CO oxidation on Au/TiO2, in particular on the role of different active oxygen species, will be discussed.

Effects of Subsoiling on Some Soil Physical Properties and Wheat Yield in a Dry Land Ecological Condition

In order to evaluate the effect of subsoiling on the soil physical properties and wheat yield in dry land conditions, this research was conducted in Mamassani area of Fars province in Iran. The experiment was laid down in the form of a complete block experimental design with four treatments and four replications for three years. Treatments included： （1） conventional tillage without using subsoiler which was control treatment （So）; （2） using subsoiler with the shank space of 40 cm which was equal to the subsoiling depth （SO; （3） using subsoiler with the shank space of 60 cm which was 1.5 times of the subsoiling depth （S2）; and （4） using subsoiler with the shank space of 80 cm which was 2 times of the subsoiling depth （S3）. Subsoiling depth was set at 40 cm which was the lower limit of the hard pan depth in the soil. Soil cone index, soil bulk density, soil moisture content, wheat yield, and yield components were measured in this study and SAS software was used to analyze the collected data. Results showed that subsoiling decreased the soil bulk density and cone index, and increased water retention of the soil. Results also revealed that applying subsoiler increased wheat yield and yield components in our dry land conditions. Since subsoiling improved soil physical conditions and increases wheat yield, applying subsoiler in such a dry land conditions is therefore recommended. Results of this study also showed that subsoiling with the shank space of 40 cm and 60 cm had better performance compared to the shank space of 80 cm. On the other hand, shank space of 40 cm reduced the subsoiler effective working width and consequently effective field capacity. Therefore, subsoiler with a shank space of 60 cm is recommended for application in dry land soils of our type.

走近千年文物——青铜器

介绍青铜器的组成成分、锈蚀产物与机理、修复与保护现状的最新研究进展,从化学学科的角度研究青铜器,既可以拓展专业视野,又能凸显青铜器在历史研究与艺术审美之外的科学价值,为大众揭开这些千年文物的神秘面纱。

Conversion of the high-yield salinomycin producer Streptomyces albus BK3-25 into a surrogate host for polyketide production

An ideal surrogate host for heterologous production of various natural products is expected to have efficient nutrient utilization,fast growth,abundant precursors and energy supply,and a pronounced gene expression.Streptomyces albus BK3-25 is a high-yield industrial strain producing type-Ⅰ polyketide sahnomycin,with a unique ability of bean oil utilization.Its potential of being a surrogate host for heterologous production of PKS was engineered and evaluated herein.Firstly,introduction of a three-gene cassette for the biosynthesis of ethylmalonyl-CoA resulted in accumulation of ethylmalonyl-CoA precursor and sahnomycin,and subsequent deletion of the sahnomycin biosynthetic gene cluster resulted in a host with rich supplies of common polyketide precursors,including malonyl-CoA,methylmalonyl-CoA,and ethylmalonyl-CoA.Secondly,the energy and reducing force were measured,and the improved accumulation of ATP and NADPH was observed in the mutant.Furthermore,the strength of a series of selected endogenous promoters based on microarray data was assessed at different growth phases,and a strong constitutive promoter was identified,providing a useful tool for further engineered gene expression.Finally,the potential of the BK3-25 derived host ZXJ-6 was evaluated with the introduction of the actinorhodin biosynthetic gene cluster from Streptomyces coelicolor,and the heterologous production of actinorhodin was obtained.This work clearly indicated the potential of the high-yield sahnomycin producer as a surrogate host for heterologous production of polyketides,although more genetic manipulation should be conducted to streamline its performance.

Wing, tail, and vocal contributions to the complex acoustic signals of courting Calliope hummingbirds

Multi-component signals contain multiple signal parts expressed in the same physical modality. One way to identify individual components is if they are produced by different physical mechanisms. Here, I studied the mechanisms generating acoustic signals in the courtship displays of the Calliope hummingbird Stellula calliope. Display dives consisted of three synchronized sound elements, a high-frequency tone （hfl）, a low frequency tone （lft）, and atonal sound pulses （asp）, which were then followed by a frequency-modulated fall. Manipulating any of the rectrices （tail-feathers） of wild males impaired production of the lft and asp but not the hfl or fall, which are apparently vocal. I tested the sound production capabilities of the rectrices in a wind tunnel. Single rectrices could generate the lft but not the asp, whereas multiple rectrices tested together produced sounds sitlfilar to the asp when they fluttered and collided with their neighbors percussively, representing a previously unknown mechanism of sound production. During the shuttle display, a trill is generated by the wings during pulses in which the wingbeat frequency is elevated to 95 Hz, 40% higher than the typical hovering wingbeat frequency. The Calliope hummingbird courtship displays include sounds produced by three independent mechanisms, and thus include a minimum of three acoustic signal components. These acoustic mechanisms have different constraints and thus potentially contain different messages. Producing multiple acoustic signals via multiple mechanisms may be a way to escape the constraints present in any single mechanism .