NUMERICAL SIMULATION OF BENARD CONVECTION IN A CLOSED RECTANGLE (Ⅰ)——TWO-DIMENSIONAL CASE

In the paper, a finite differential numerical model is proposed for Benard convection ina non-slippery closed rectangle. By this model, we have discussed the bifurcation character-istics of two-dimensional Benard convection when Prandtl number is 1. The computed re-sults show that if the Rayleigh number Ra≥1.75×10~5, the Benard convection is unsteady andirregular, and that in the transient region of flow pattern, the changing rate of the Nusseltnumber Nu to Ra, dlgNu/dlgRa, is rather smaller than that in the non-transient region.Moreover, in the paper, we have analysed the relation between the shrinking rate of thephase flow and each term in the governing equations of Benard convection. And further,we have developed a new method to calculate the pressure gradient.     

QUANTITATIVE RELATION BETWEEN MODIFICATION OF FUNCTIONAL GROUPS OF PROTEINS AND THEIR BIOLOGICAL ACTIVITY——A COMPUTER PROGRAM FOR ASCERTAINING THE NUMBER OF ESSENTIAL RESIDUES

Based on a statistical treatment of the quantitative relation between the extents of mod-ification of protein functional groups and the decrease of their biological activity, a meth-od was proposed (Tsou, Sci. Sin., 1962, 11:1535) and widely used for the determination ofthe number of residues essential for the biological activity ot the protein modified. How-ever, the original method depends on a trial and error approach and manual calculation tofind the best fit for the data obtained. A computer program is described in this paper forthe treatment of experimental data to produce the number of essential and non-essentialgroups modified and the ratio of rates for their modification which best fit the data ob-tained. Applications of this method show that in some cases wrong conclusions were reachedin literature and in other cases quantitative conclusions can sometimes be drawn when orig-inally either no quantitative data treatment was presented or attempts at manual curve fit-ting were unsuccessful.     

ON INFLUENCE OF CHARACTERISTICS OF FLOW FIELDS AND THERMAL FACTORS ON MOTION OF TYPHOONS

This paper mainly aims at studying the influence of the characteristics of flow fields and thermal factors on the motion of typhoons, Results show that the northward (or southward) component of typhoon motion shows up when the southerly maximum wind on the east periphery of a typhoon is stronger (or weaker) than the northerly one to the west. A westward (or eastward) component appears when the westerly maximum wind to the south is weaker (or stronger and exceeds a certain value) than the easterly one to the north. The speeds of motion differ from each other depending on the different flow patterns. Counterclockwise rotation occurs when two typhoons are close to such an extent that they interact on each other. A typhoon also has the tendency of moving towards the stronger heating and more unstable areas, as well as in the direction of the gradient of temperature variation. In addition, the impact of the variation of subtropical high on typhoon motion is also discussed.     

Composition and rheology of polyamide-6 obtained by using bi- and tri-functional coupling agents

A statistical approach is developed, based on a Monte Carlo method, in order to determine the statistical composition of a polyamide-6 sample composed of caprolactam (an AB-type monomer) and of a di-acid (A2 type) or a tri-acid (A3 type) as coupling agents. For this composition, the linear rheological behavior of these systems is predicted using a tube-based theory. This allows us to show that while coupling agents of type A2 can be seen as flow improver, the effect of branching agents of type A3 , depending on the synthesis recipe and the conversion level, can lead either to an increase or to a decrease of the viscosity. By adding specific amount of these agents, we also show that it is possible to obtain materials with the same zero-shear viscosity but with different shear thinning behavior. Furthermore, the polydispersity of linear samples of the same average number molecular weight, M n , is discussed in function of the amount of A2 monomers they contain. Ranging from 2 to 1.5, this difference in polydispersity is expected to have a significant influence on the processing behavior of such materials.     

Modeling mass transfer of CO2 in brine at high pressures by chemical potential gradient

To investigate long-term CO2 behavior in geological formations and quantification of possible CO2 leaks, it is crucial to investigate the potential mobility of CO2 dissolved in brines over a wide range of spatial and temporal scales and density distributions in geological media. In this work, the mass transfer of aqueous CO 2 in brines has been investigated by means of a chemical potential gradient model based on non-equilibrium thermodynamics in which the statistical associating fluid theory equation of state was used to calculate the fugacity coefficient of CO2 in brine. The investigation shows that the interfacial concentration of aqueous CO2 and the corresponding density both increase with increasing pressure and decreasing temperature; the effective diffusion coefficients decrease initially and then increase with increasing pressure; and the density of the CO2 -disolved brines increases with decreasing CO2 pressure in the CO2 dissolution process. The aqueous CO2 concentration profiles obtained by the chemical potential gradient model are considerably different from those obtained by the concentration gradient model, which shows the importance of considering non-ideality, especially when the pressure is high.     

The Numerical Simulation of the Climatic Change Caused by CO_2 Doubling

The IAP two-level atmospheric general circulation model was coupled to a 60-m-deep mixed layer ocean model and a zero-layer thermodynamic model to simulate the climatic effects induced by a doubling of CO_2 concentration in the atmosphere.The global surface temperature is 1.75℃ when CO_2 is doubled. This value is lower than most of other results in the world, such as those of GFDL, NCAR, UKMO, GISS and OSU models.There are large regional and seasonal differences in the climatic change. Great warming is found in the Northern Hemisphere's high-latitude region anti the Antarctica; and the warming in land areas is greater than in ocean areas, while the precipitation increases in high latitudes and tropical regions but decreases in subtropical regions. In both hemispheres, the warming is greater in winter than in other seasons. As for the changes in China, we find that the precipitation in southwestern and northern China greatly decreases in summer but increases in winter.     

CHARACTERISTICS OF NATURAL CONTENTS OF CHEMICAL ELEMENTS IN PROFILES OF SOME SOIL TYPES IN CHINA AND THEIR RELATIONSHIP

The natural contents of 23 elements in the main soil types in China, the degree of enrichment of those elements and the characteristics of regional differences of the element arrangement are discussed in this paper. Through comparison between the element contents of 10 soils in China and the soils of the world, we have found that it is necessary to consider the equilibrium of the compositions of the soil types, when we try to find out a soil background content of the world or large region. The paper also deals with the concept and model of the regional differential coefficients of the elements. In the end of the paper, we analyse the correlation between 23 elements. The results show that there is a correlation between some elements of different soils in different geographical zones.     

Non-linear Viscoelastic Rheological Properties of PCC/PEG Suspensions

The shear thinning and shear thickening rheological properties of PCC/PEG suspension were investigated with the increase of oscillatory amplitude stress at different constant frequencies. The results show that the complex viscosity was initially independent of stress amplitude and obvious shear thinning occurred, then dramatic shear thickening took place after reaching the minimum viscosity. Typically, in a constant frequency of 5 rad/s, the elastic modulus, viscous modulus, and tanδ （δ is the out-of-phase angle） vs. the stress amplitude was investigated. It is found that the elastic modulus initially appeared to be independent of stress amplitude and then exhibited a rapid decrease, but the viscous modulus was independent of amplitude stress at lower amplitude stress. After reaching the minimum value the viscous modulus showed a rapid increase. On the other hand, tanδ increased from 0.6 to 92, which indicates that the transition from elastic to viscous had taken place and tanδ showed a steep increase when shear thickening occurred. Lissajous plots are shown for the dissipated energy vs. different maximum stress amplitude in the shear thinning and shear thickening regions. The relationship of dissipated energy vs. maximum stress amplitude was determined, which follows a power law. In the shear thinning region the exponent was 1.91, but it steeply increases to 3.97 in the shear thickening region.     

Location of ethanol in sodium dodecyl sulfate aggregates

The hexagonal liquid crystalline phase of SDS (Sodium dode-cyl sulfate)/H2O system changes into lamellar liquid crystal and the effective length of surfactant molecule d0/2 in the lamellar liquid crystal decreases with the addition of ethanol. The micellar aggregation number N of SDS decreases and the micellar diffusion coefficient increases with the added ethanol. Under a constant concentration of SDS, the molecule number ratio of ethanol to SDS in the micelle increases with the concentration of ethanol and even exceeds 10 when ethanol concentration is 1. 085 mol/L. All these results show that ethanol, even though a short chain alcohol and soluble in water, can partly exist in the interphase of the amphiphilic aggregates showing some properties of co-surfactant.     

Statistical theory for hydrogen bonding fluid system of A_aD_d type(Ⅲ):Equation of state and fluctuations

The equation of the state of the hydrogen bonding fluid system of AaDd type is studied by the principle of statistical mechanics. The influences of hydrogen bonds on the equation of state of the system are obtained based on the change in volume due to hydrogen bonds. Moreover,the number density fluc-tuations of both molecules and hydrogen bonds as well as their spatial correlation property are inves-tigated. Furthermore,an equation describing relation between the number density correlation function of "molecules-hydrogen bonds" and that of molecules and hydrogen bonds is derived. As application,taking the van der Waals hydrogen bonding fluid as an example,we considered the effect of hydrogen bonds on its relevant statistical properties.     

FRACTAL CHARACTER OF PHASE MORPHOLOGY OF HIGH IMPACT POLYSTYRENE/POLY（cis-BUTADIENE） RUBBER BLENDS

Evolution and fractal character of the phase morphology of high impact polystyrene/poly（cis-butadiene） rubber （HIPS/PcBR） blends during melting and mixing were investigated using scanning electron microscopy （SEM）. The characteristic length L was defined as the size of particles of the dispersed phase in blends. Different fractal dimensions, Df and Din, were introduced to study the distribution width of phase dimensions in the dimensionless region and the uniformity of the spatial distribution of particles, respectively. The results showed that the average characteristic length Lm and Df increase as the volume fraction of the dispersed phase increases, when the volume fraction of the dispersed phase is lower than 50%. In other words, the size of particles increases and their distribution in the dimensionless region becomes more uniform. Meanwhile, the uniformity of the spatial distribution becomes more perfect as the volume fraction increases. At a certain composition, Lm decreases in the initial stage of the mixing and levels off in the late stage. In the initial stage, Df becomes large rapidly with the process of blending, which means that the distribution of L in the dimensionless region becomes more uniform. Meanwhile, the spatial distribution tends to be ideal rapidly in the early stage and fluctuates in a definite range in the late stage of the mixing.     

A Thermodynamic Analysis on the Catalytic Combustion of Methane

Chemical equilibria involving 10 species and adiabatic reaction temperature of methane com-bustion in air under various conditions have been calculated in detail by means of total Gibbs energyminimization of the system. The calculation data show that the adiabatic combustion temperature of CH_4and air at stoichiometric ratio is up to about 2200 K, and the equilibrium concentration of NO is about0.0018, however that of NO_2 is only 1×10~(-6). A large amount of carbon deposition emerges when the CH_4concentration is above 26.5%. The NO and NO_2 appear only when the CH_4 concentration is below 16%.The maximum equilibrium concentrations of NO and NO_2 are 0.0028 and 2×10~(-6) respectively, at about8%CH_4 concentration. The NO and NO_2 concentrations increase with the system temperature at a lowCH_4 concentration. However, both of them can be decreased when CO_2 or steam is introduced into thesystem, which also decreases the adiabatic combustion temperature. The decrease in adiabatic tempera-ture caused by     

IS THE“DEGREE OF AGGREGATION”A FUNCTION OF THE AVERAGE AGGREGATE NUMBER,OR OF THE NUMBER OF AGGREGATES,OR BOTH?

Measurement of the average aggregate number of coaggregates(N_co)and evaluationOf the number of coaggregates([CoAg])in the region of increasing degree of aggregationshows that only N_co increases linearly with the concentration of the target moleculesCE-In and BL-ol.     

AN EXPERIMENTAL INVESTIGATION ON TOPOGRAPHIC EFFECT ON MULTIPLE REGIMES OF BAROCLINIC FLOW

A rotating annulus experiment is used to study the large scale motion in the thermally-driven baroclinic fluid in the presence of a two ridge sinusoidal topography around the annu-lus. The fundamental effect the topography exerts on the large scale motion in the baroclinicfluid is to modulate the flow and thus to make the flow uneven both in time and in space.The most important paramenter which dominates the flow regime in the fluid is the Rossbynumber. When the imposed Rossby number is very small (R_o≤0.06) or the imposed tem-perature difference between the walls of the annulus is very small (△T<0.5℃) the flowpattern is wave-like steady flow. When the Rossby number increases (0.06≤R_o≤0.2) theflow pattern becomes travelling waves with strong vacillation due to the topographic effect.The flow possesses at least two primary regimes, one is zonal regime and the other is meri-dional. The vacillation weakens with increasing Rossby number. When the Rossby numberis large or very large (R_o≥2.0) the fast     

Stochastic bi-resonance in non-isothermal carbon monoxide catalytic oxidation system

The Pt(110)/CO O2 system subject to reaction heat, heat conduction and radiative heat transfer is non-isothermal and its temperature varies in time and space. In this paper, taking support temperature (ST) as the control parameter, the effect of the ST fluctuations in the oscillatory dynamics of the non-isothermal Pt(110)/CO O2 system is numerically studied. It is found that the ST fluctuations may induce stochastic oscillations and the oscillations exhibit stochastic bi-resonance (SBR) with the change of the strength or correlation time of the fluctuations. This result shows that the temperature fluctuations may enhance the chemical reaction oscillations. Moreover, the system can selectively and repeatedly employ the temperature fluctuations to enhance its reaction oscillations. It is also shown when the distance of the ST temperature to the oscillatory region increases a little, the effect of the temperature fluctuations would obviously weaken.     

Toughening of ethylene-propylene random copolymer/clay nanocomposites: Comparison of different compatibilizers

Ethylene/propylene-random-copolymer(PPR)/clay nanocomposites were prepared by two-stage melt blending. Four types of compatibilizers,including an ethylene-octene copolymer grafted maleic anhydride(POE-g-MA) and three maleic-anhydride-grafted polypropylenes(PP-g-MA) with different melt flow indexes(MFI),were used to improve the dispersion of organic clay in matrix.On the other hand,the effects of organic montmorillonite(OMMT) content on the nanocomposite structure in terms of clay dispersion in PPR matrix,thermal behavior and tensile properties were also studied. The X-ray diffraction(XRD) and transmission electron microscopy(TEM) results show that the organic clay layers are mainly intercalated and partially exfoliated in the nanocomposites.Moreover,a PP-g-MA compatibilizer(compatibilizer B) having high MFI can greatly increase the interlayer spacing of the clay as compared with other compatibilizers.With the introduction of compatibilizer D(POE-g-MA),most of the clays are dispersed into the POE phase,and the shape of the dispersed OMMT appears elliptic,which differs from the strip of PP-g-MA.Compared with virgin PPR,the Young’s modulus of the nanocomposite evidently increases when a compatibilizer C(PP-g-MA) with medium MFI is used.For the nanocomposites with compatibilizer B and C,their crystallinities(X_c) increase as compared with that of the virgin PPR. Furthermore,the increase of OMMT loadings presents little effect on the melt temperature(T_m) of the PPR/OMMT nanocomposites,and slight effect on their crystallization temperature(T_c).Only compatibilizer B can lead to a marked increases in crystallinity and T_c of the nanocomposite when the OMMT content is 2 wt%.     

DIGITAL ANALYSIS TECHNOLOGY FOR MORPHOLOGY OF POLYMER CHAIN COILS IN FLOW FIELDS

Polymer chain coils with entanglement is a crucial scale of structures in polymer materials since their relaxation times are matching practical processing times. Based on the phenomenological model of polymer chain coils and a new finite element approach, we have designed a computer software including solver, pre- and post-processing modules, and developed a digital analysis technology for the morphology of polymer chain coils in flow fields (DAMPC). Using this technology we may simulate the morphology development of chain coils in various flow fields, such as simple shear flow, elongational flow,and any complex flow at transient or steady state. The appli cations made up to now show that the software predictions arecomparable with experimental results.     

Crystallization of Poly(ethylene adipate) within γ-Phase Poly(vinylidene fluoride) Matrix

The effects of PEA on the γ-phase PVDF crystal structure and the crystallization of PEA within the pre-existing γ-phase PVDF spherulites have been investigated by optical microscopy(OM), infrared spectroscopy(IR) and scanning electron microscopy(SEM). The results demonstrate that the γ-phase PVDF spherulites consist of the lamellae exhibiting a highly curved scroll-like morphology and develop preferentially in PEA-rich blend. With increasing PEA concentration, the scroll diameter increases and the scrolls are better separated from each other. PEA crystallizes first in the interspherulitic region and transcrystalline layer develops. Subsequently, the transcrystalline layer of PEA continues to grow within the γ-phase PVDF spherulites, e.g., in the region between the scrolls, until impinging on other PEA transcrystalline layers or spherulites. The crystallization kinetics results indicate that the growth rate of PEA crystals in the intraspherulitic region of γ-phase PVDF shows a positive correlation with content of PEA, but a negative one with the crystallization temperature of γ-phase PVDF.     

Preparation of sodium titanate nanotubes modified by CdSe quantum dots and their photovoltaic characteristics

Sodium titanate nanotubes have been prepared and modified chemically with CdSe quantum dots (QDs) using bifunctional modifiers (HS-COOH). Their photovoltaic characteristics have also been studied. The results indicate that the surface photovoltage response of nanotubes extends to the visible light region, and the intensity of surface photovoltage is enhanced after modification with CdSe QDs. The field-induced surface photovoltage spectroscopy (FISPS) shows that sodium titanate nanotubes have different photovoltaic response before and after modification. That is, the surface photovoltaic re-sponse of pure sodium titanate nanotubes increases with the enhancement of positive applied bias and decreases with the enhancement of negative applied bias. Meanwhile, the surface photovoltaic re-sponse of CdSe modified sodium titanate nanotubes is different from that of the pure sodium titanate nanotubes. The whole spectrum increases with the enhancement of applied bias at the first stage. However, when the applied bias reaches a certain value, the surface photovoltage response keeps in-creasing in some spectrum regions, while decreasing in other spectrum regions. This novel phe-nomenon is explained by using an electric field induced dipole model.     

DISPERSITY OF THE COPOLYMER OF STYRENE AND 2, 2, 6, 6-TETRAMETHYL-4-PIPERIDINYL-METHACRYLATE (PDS) IN POLYPROPYLENE AND ITS INFLUENCE ON PHOTOSTABILIZING ACTION OF PDS

The morphology of films of PDS/PP blends with various contents of PDS and with PDS of dif-ferent molecular weights was examined by scanning electron microscopy and the photostability ofthese films was studied by infrared spectrometry. Experimental results show that PDS is dispersedin PP matris as spherical globules being in size of the order of 10~(-1)μm when content of PDS is in therange of 0.1 % to 1%. The phase separation of PDS from PP results in decrease in photostabilizingaction of PDS to some extent. It is found that films of PP blended with PDS of different molecularweights show similar morphology and photostabilizing action if the content of PDS is kept constant.