Monte Carlo simulation of phase behavior of polymer blends with special interactions

Full Paper: The phase, behavior of A-B-random copolymer/C-homopolymer, blends with special interaction was studied by a. Monte, Carlo simulation in two dimensions. The interaction between I segment A and segment C was repulsive, whereas it was attractive between segment B and segment C. The simulation results showed that the blend became two large co-continuous phase domains at lower segment-B component compositions, indicating that the blend showed spinodal decomposition. With an increase of the segment-B component, the miscibility between the copolymer,and the polymer was gradually improved up to being miscible. In addition, it was found that segment B tended to move to the surface of the copolymer phase in the case of a lower component of segment B. On the other hand, if was observed that the average, end-to-end distances ((h) over bar) for both copolymer and polymer changed slowly with increasing segment-B component of the copolymer up to 40%, thereafter they increased considerably with increasing segment B component. Moreover, it was found that the (h) over bar of the copolymer was obviously shorter than that of the homopolymer for the segment-B composition, region from 0% to 80%. Finally, a, phase diagram showing I phase and - II phase regions under the condition of constant-temperature is presented.

Molecular dynamics simulation of sub-transition for polyethersulfone

Molecular dynamics (MD) simulations of a polyethersulfone (PES) chain are carried out in the amorphous state by using the Dreiding 2.21 force field at four temperatures. Two types of molecular motion, i.e, rotations of phenylene rings and torsions of large segments containing two oxygen atoms, two sulfur atoms, and five phenylene rings on the backbone, are simulated. The modeling results show that the successive phenylene rings should be in-phase cooperative rotations, whereas the successive large segments should be out-of-phase cooperative torsions. By calculating the diffusion coefficient for the phenylene ring rotations, it is found that this rotation contributes to the beta -transition of PES.

Interannual horizontal heat advection in the surface mixed layer over the equatorial Pacific Ocean: assimilation versus TAO analysis

The interannual anomalies of horizontal heat advection in the surface mixed layer over the equatorial Pacific Ocean in an assimilation experiment are studied and compared with existing observational analyses. The assimilation builds upon a hindcast study that has produced a good simulation of the observed equatorial currents and optimizes the simulation of the Reynolds sea surface temperature (SST) data. The comparison suggests that the assimilation has improved the simulation of the interannual horizontal heat advection of the surface mixed layer significantly. During periods of interrupted current measurements, the assimilation is shown to produce more meaningful anomalies of the heat advection than the interpolation of the observational data does. The assimilation also shows that the eddy heat flux due to the correlation between high-frequency current and SST variations, which is largely overlooked by the existing observational analyses, is important for the interannual SST balance over the equatorial Pacific. The interannual horizontal heat advection anomalies are found to be sensitive to SST errors where oceanic currents are strong, which is a challenge for ENSO prediction. The study further suggests that the observational analyses of the tropical SST balance based on the TAO and the Reynolds SST data contain significant errors due to the large gradient errors in the Reynolds SST data, which are amplified into the advection anomalies by the large equatorial currents.

Numerical Simulation of Waves Generated by Seafloor Movements

Waves generated by vertical seafloor movements are simulated by use of a fully nonlinear two-dimensional numerical wave tank. In the source region, the seafloor lifts to a designated height by a generation function. The numerical tests show that file linear theory is only valid for estimating the wave behaviors induced by the seafloor movements with a small amplitude, and the fully nonlinear numerical model should be adopted in the simulation of the wave generation by the large amplitude seafloor movements. Without the background surface waves, many numerical tests on the stable maximum elevations eta(max)(0) are carried out by both the linear theory and the fully nonlinear model. The results of two models are compared and analyzed. For the fully nonlinear model, the influences of the amplitudes and the horizontal lengths on eta(max)(0) are stronger than that of the characteristic duration times. Furthermore, results reveal that there are significant differences between the linear theory and the fully nonlinear model. When the influences of the background surface waves are considered, the corresponding numerical analyses reveal that with the fully nonlinear model the eta(max)(0) near-linearly varies with the wave amplitudes of the surface waves, and the eta(max)(0) has significant dependences on the wave lengths and the wave phases of the surface waves. In addition, the differences between the linear theory and the fully nonlinear model are still obvious, aid these differences are significantly affected by The wave parameters of the background surface waves, such as the wave amplitude, the wave length and the wave phase.

Application of altimetry data assimilation on mesoscale eddies simulation

Mesoscale eddy plays an important role in the ocean circulation. In order to improve the simulation accuracy of the mesoscale eddies, a three-dimensional variation (3DVAR) data assimilation system called Ocean Variational Analysis System (OVALS) is coupled with a POM model to simulate the mesoscale eddies in the Northwest Pacific Ocean. In this system, the sea surface height anomaly (SSHA) data by satellite altimeters are assimilated and translated into pseudo temperature and salinity (T-S) profile data. Then, these profile data are taken as observation data to be assimilated again and produce the three-dimensional analysis T-S field. According to the characteristics of mesoscale eddy, the most appropriate assimilation parameters are set up and testified in this system. A ten years mesoscale eddies simulation and comparison experiment is made, which includes two schemes: assimilation and non-assimilation. The results of comparison between two schemes and the observation show that the simulation accuracy of the assimilation scheme is much better than that of non-assimilation, which verified that the altimetry data assimilation method can improve the simulation accuracy of the mesoscale dramatically and indicates that it is possible to use this system on the forecast of mesoscale eddies in the future.

Effect of spatial variation on areal evapotranspiration simulation in Haibei, Tibet plateau, China

Quantification of areal evapotranspiration from remote sensing data requires the determination of surface energy balance components with support of field observations. Much attention should be given to spatial resolution sensitivity to the physics of surface heterogeneity. Using the Priestley-Taylor model, we generated evapotranspiration maps at several spatial resolutions for a heterogeneous area at Haibei, and validated the evapotranspiration maps with the flux tower data. The results suggested that the mean values for all evapotranspiration maps were quite similar but their standard deviations decreased with the coarsening of spatial resolution. When the resolution transcended about 480 m, the standard deviations drastically decreased, indicating a loss of spatial structure information of the original resolution evapotranspiration map. The absolute values of relative errors of the points for evapotranspiration maps showed a fluctuant trend as spatial resolution of input parameter data layers coarsening, and the absolute value of relative errors reached minimum when pixel size of map matched up to measuring scale of eddy covariance system. Finally, based on the analyses of the semi-variogram of the original resolution evapotranspiration map and the shapes of spatial autocorrelation indices of Moran and Geary for evapotranspiration maps at different resolutions, an appropriate resolution was suggested for the areal evapotranspiration simulation in this study area.