Nuclear shape-phase diagrams

Ground-state energy functions of even-even and odd-A nuclei are derived from simple parameter-dependent Interacting Boson Model (IBM) and Interacting Boson-Fermion Model (IBFM) Hamiltonians. Exact nuclear shape-phase diagrams in the two-parameter (eta, chi) plane are explicitly described using the energy functions on the basis of the condition of phase equilibrium.

Theoretical representation of shear and pressure influence on the phase separation behavior of PVME/PS mixture

In the framework of lattice fluid model, the Gibbs energy and equation of state are derived by introducing the energy (E-s) stored during flow for polymer blends under shear. From the calculation of the spinodal of poly(vinyl methyl ether) (PVME) and polystyrene (PS) mixtures, we have found the influence of E., an equation of state in pure component is inappreciable, but it is appreciable in the mixture. However, the effect of E, on phase separation behavior is extremely striking. In the calculation of spinodal for the PVME/PS system, a thin, long and banana miscibility gap generated by shear is seen beside the miscibility gap with lower critical solution temperature. Meanwhile, a binodal coalescence of upper and lower miscibility gaps is occurred. The three points of the three-phase equilibrium are forecasted. The shear rate dependence of cloud point temperature at a certain composition is discussed. The calculated results are acceptable compared with the experiment values obtained by Higgins et at. However, the maximum positive shift and the minimum negative shift of cloud point temperature guessed by Higgins are not obtained, Furthermore, the combining effects of pressure and shear on spinodal shift are predicted.

The Experimental and Numerical Studies on Gas Production from Hydrate Reservoir by Depressurization

A set of experimental system to study hydrate dissociation in porous media is built and some experiments on hydrate dissociation by depressurization are carried out. A mathematical model is developed to simulate the hydrate dissociation by depressurization in hydrate-bearing porous media. The model can be used to analyze the effects of the flow of multiphase fluids, the kinetic process and endothermic process of hydrate dissociation, ice-water phase equilibrium, the variation of permeability, convection and conduction on the hydrate dissociation, and gas and water productions. The numerical results agree well with the experimental results, which validate our mathematical model. For a 3-D hydrate reservoir of Class 3, the evolutions of pressure, temperature, and saturations are elucidated and the effects of some main parameters on gas and water rates are analyzed. Numerical results show that gas can be produced effectively from hydrate reservoir in the first stage of depressurization. Then, methods such as thermal stimulation or inhibitor injection should be considered due to the energy deficiency of formation energy. The numerical results for 3-D hydrate reservoir of Class 1 show that the overlying gas hydrate zone can apparently enhance gas rate and prolong life span of gas reservoir.

Effect of microwave on formation/decomposition of natural gas hydrate

Natural gas hydrate (NGH) reservoirs have been considered as a substantial future clean energy resource and how to recover gas from these reservoirs feasibly and economically is very important. Microwave heating will be taken as a promising method for gas production from gas hydrates for its advantages of fast heat transfer and flexible application. In this work, we investigate the formation/decomposition behavior of natural gas hydrate with different power of microwave (2450MHZ), preliminarily analyze the impact of microwave on phase equilibrium of gas hydrate,and make calculation based on van der Waals-Platteeuw model. It is found that microwave of a certain amount of power can reduce the induction time and sub-cooling degree of NGH formation, e.g., 20W microwave power can lead to a decrease of about 3A degrees C in sub-cooling degree and the shortening of induction time from 4.5 hours to 1.3 hours. Microwave can make rapid NGH decomposition, and water from NGH decomposition accelerates the decomposition of NGH with the decomposition of NGH. Under the same pressure, microwave can increase NGH phase equilibrium temperature. Different dielectric properties of each composition of NGH may cause a distinct difference in temperature in the process of NGH decomposition. Therefore, NGH decomposition by microwave can be affected by many factors.

Clathrate Dissociation Conditions for Methane + Tetra-n-butyl Ammonium Bromide (TBAB) + Water

Hydrate equilibrium data of the CH4 + tetra-n-butyl ammonium bromide (TBAB) + water have been measured by using the isothermal pressure search method for four components of TBAB aqueous solutions. The three-phase equilibrium lines obtained in the present study are shifted to the low-temperature or high-pressure side from that of the stoichiometric TBAB solution. Moreover, methane uptake into semi-clathrates is confirmed by a shift in the clathrate regions when methane is present. The experiments are carried out in the pressure range of (0.5 to 11) MPa and in the temperature range of (281.15 to 295.15) K.

Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theory

Molecular dynamics simulations are adopted to calculate the equation of state characteristic parameters P*, rho*, and T* of isotactic polypropylene (iPP) and poly(ethylene-co-octene) (PEOC), which can be further used in the Sanchez-Lacombe lattice fluid theory (SLLFT) to describe the respective physical properties. The calculated T* is a function of the temperature, which was also found in the literature. To solve this problem, we propose a Boltzmann fitting of the data and obtain T* at the high-temperature limit. With these characteristic parameters, the pressure-volume-temperature (PVT) data of iPP and PEOC are predicted by the SLLFT equation of state. To justify the correctness of our results, we also obtain the PVT data for iPP and PEOC by experiments. Good agreement is found between the two sets of data. By integrating the Euler-Lagrange equation and the Cahn-Hilliard relation, we predict the density profiles and the surface tensions for iPP and PEOC, respectively. Furthermore, a recursive method is proposed to obtain the characteristic interaction energy parameter between iPP and PEOC. This method, which does not require fitting to the experimental phase equilibrium data, suggests an alternative way to predict the phase diagrams that are not easily obtained in experiments.

Order-disorder transition in eicosylated polyethyleneimine comblike polymers

Order-disorder transition (ODT) behavior in eicosylated polyethyleneimine (PEI20C) comblike polymer obtained by grafting n-eicosyl group on polyethyleneimine backbone was systematically investigated by the combination of differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), Fourier transform infrared (FTIR) spectroscopy as well as solid-state high resolution nuclear magnetic resonance (NMR) spectroscopy. DSC investigations showed two obvious transitions, assigned to the transitions (1) from orthorhombic to hexagonal and (2) from hexagonal to amorphous phase, respectively. These transitions are induced by the variations of alkyl side chain conformation and packing structure with temperature changing, which consequently lead to the destruction of original phase equilibrium. The ODT behavior can also be confirmed by spectroscopic methods like WAXD, FTIR and NMR. The ordered structure and the transition behavior of the alkyl side chains confined by the PEI backbone are obviously different from those of pristine normal alkanes. The transition mechanism of ODT and the origin of the phase transition behavior in PEI20C comblike polymer were discussed in detail in this paper.

What has brought on the effects of number-average molecular weight on the spinodals in polymer mixtures?

On the basis of the thermodynamics of Gibbs, the spinodal for the quasibinary system was derived in the framework of the Sanchez-Lacombe lattice fluid theory. All of the spinodals were calculated based on a model polydisperse polymer mixture, where each polymer contains three different molecular weight subcomponents. According to our calculations, the spinodal depends on both weight-average ((M) over bar (w)) and number-average ((M) over bar (n)) molecular weights, whereas that of the z-average molecular weight is invisible. Moreover, the extreme of the spinodal decreases when the polydispersity index (eta = (M) over bar (w)/(M) over bar (n)) of the polymer increases. The effect of polydispersity on the spinodal decreases when the molecular weight gets larger and can be negligible at a certain large molecular weight. It is well-known that the influence of polydispersity on the phase equilibrium (coexisting curve, cloud point curves) is much more pronounced than on the spinodal. The effect of M, on the spinodal is discussed as it results from the infuluence of composition temperatures, molecular weight, and the latter's distribution on free volume. An approximate expression, which is in the assumptions of v* v(1)* = v(2)* and 1/r --> 0 for both of the polymers, was also derived for simplification. It can be used in high molecular weight, although it failed to make visible the effect of number-average molecular weight on the spinodal.

南海天然气水合物地热学研究

Through generalizing the thermal field characteristics in gas hydrates distribution area in the world, the favorable thermal conditions for gas hydrates in the South China Sea are analyzed firstly. On the basis of above analysis, focused on the gas hydrates stability zone (GHSZ), the dissertation initiated the gas hydrates studies with geothermal methods in the South China Sea which will provide useful information for gas hydrates resource exploration and evaluation in the future. On the basis of study on hydrates phase equilibrium and the GHSZ affecting factors, the potential planar distribution of gas hydrates is determined by studying the temperature and pressure conditions in the sea bottom with different water depth, and the thickness of GHSZ is attained by solving the hydrates phase boundary curve equation and geothermal gradient curve equation. The result shows that, if the chemical composition of hydrocarbons contains methane only and the salt content of water is 3.5%, hydrates can form and keep stable at sea bottom at water depth not less than 550m, and the thickness of GHSZ is more than 200m in Xisha Through, Southeastern area of Dongsha Islands, Southwestern basin of Taiwan Island, northern area of Nansha Trough. The GHSZ is thicker with heat flow, geothermal gradient, and thermal conductivity decreasing, and with water depth increasing. Geothermal field simulating also attains the base of GHSZ in Xisha through, which is less than the depth of BSR. Although the present T-P conditions is not the most favorable for gas hydrates through 6Ma history, gas hydrates are still profitable in Xisha Through, Southeastern area of Dongsha Islands, Southwestern basin of Taiwan Island, Luzon Trough and northern area of Nansha Trough by systemic study on the sedimentary and structural characteristics, the conditions of T-P and natural gas source, considering geochemical and geophysical indications found in the South China Sea.

Shock-Induced Near-Wall Two-Phase Flow Structure Over a Micron-Sized Particles Bed

The present paper studies numerical modelling of near-wall two-phase flows induced by a normal shock wave moving at a constant speed, over a micronsized particles bed. In this two-fluid model, the possibility of particle trajectory intersection is considered and a full Lagrangian formulation of the dispersed phase is introduced. The finiteness of the Reynolds and Mach numbers of the flow around a particle as well as the fineness of the particle sizes are taken into account in describing the interactions between the carrier- and dispersed- phases. For the small mass-loading ratio case, the numerical simulation of flow structure of the two phases is implemented and the profiles of the particle number density are obtained under the constant-flux condition on the wall. The effects of the shock Mach number and the particle size and material density on particle entrainment motion are discussed in detail.The obtained results indicate that interphase non-equilibrium in the velocity and temperature is a common feature for this type of flows and a local particle accumulation zone may form near the envelope of the particle trajectory family.

Rapidly solidified nonequilibrium microstructure and phase transformation of laser-synthesized iron-based alloy coating

The rapidly solidified microstructural and compositional features, the precipitation and transformation of carbides during tempering, and the impact wear resistance of an iron-based alloy coating prepared by laser cladding are investigated. The clad coating alloy, a powder mixture of Fe, Cr, W, Ni, and C with a weight ratio of 10:5:1.1.1, is processed using a continuous wave CO, laser. Microstructural studies demonstrate that the coating possesses the hypoeutectic microstructure comprising the primary dendritic gamma-austenite and interdendritic eutectic consisting of gamma-austenite and M7C3 carbides. gamma-Austenite is a non-equilibrium phase with an extended solid solution of alloying elements. During high temperature tempering at 963 K for 1 h, the precipitation of M23C6, MC and M2C carbides in austenite and in situ carbide transformation of M7C3 to M23C6 and M7C3 to M6C respectively are observed. In addition, the microstructure of the laser-clad coating reveals an evident secondary hardening and a superior impact wear resistance.

The kinetic-theory for dilute solid liquid 2-phase flow

On the basis of a brief review of the continuum theory for macroscopic descriptions and the kinetic theory for microscopic descriptions in solid/liquid two-phase flows, some suggestions are presented, i.e. the solid phase may be described by the Boltzmann equation and the liquid phase still be described by conservation laws in the continuum theory. Among them the action force on the particles by the liquid fluid is a coupling factor which connects the phases. For dilute steady solid/liquid two-phase flows, the particle velocity distribution function can be derived by analogy with the procedures in the kinetic theory of gas molecules for the equilibrium state instead of being assumed, as previous investigators did. This done, more detailed information, such as the velocity probability density distribution, mean velocity distribution and fluctuating intensity etc. can be obtained directly from the particle velocity distribution function or from its integration. Experiments have been performed for dilute solid/liquid two-phase flow in a 4 x 6 cm2 sized circulating square pipe system by means of laser Doppler anemometry so that the theories can be examined. The comparisons show that the theories agree very well with all the measured data.

Kinetic theory for particle concentration distribution in two phase flow

The results of experiments in open channels and closed pipelines show two kinds of patterns for the vertical distribution of particle concentration (i.e., pattern I and pattern II). The former shows a pattern of maximum concentration at some location above the bottom and the downward decay of the concentration below the location. The latter always shows an increase of the particle concentration downward over the whole vertical, with the maximum value at the bottom. Many investigations were made on the pattern II, but few were made on pattern I. In this paper, a particle velocity distribution function is first obtained in the equilibrium state or in dilute steady state for the particle in two-phase flows, then a theoretical model for the particle concentration distribution is derived from the kinetic theory. More attention is paid to the predictions of the concentration distribution of pattern I and comparisons of the present model are made with the data measured by means of laser doppler anemometry (LDA). Very good agreements are obtained between the measured and calculated results.

Chemical equilibrium analysis and CFD simulation of coal combustion and NOx formation

A full two-fluid model of reacting gas-particle flows with an algebraic unified second-order moment (AUSM) turbulence-chemistry model is used to simulate Beijing coal combustion and NOx formation. The sub-models are the k-epsilon-kp two-phase turbulence model, the EBU-Arrhenius volatile and CO combustion model, the six-flux radiation model, coal devolatilization model and char combustion model. The blocking effect on NOx formation is discussed. In addition, the chemical equilibrium analysis is used to predict NOx concentration at different temperature. Results of CID simulation and chemical equilibrium analysis show that, optimizing air dynamic parameters can delay the NOx formation and decrease NOx emission, but it is effective only in a restricted range. In order to decrease NOx emission near to zero, the re-burning or other chemical methods must be used.