Using 3D Langevin dynamics simulations,we investigate the effects of the shape of crowders on the dynamics of a polymer chain closure.The chain closure in spherical crowders is dominated by the increased medium viscosity so that it gets slower with the increasing volume fraction of crowders.By contrast,the dynamics of chain closure becomes very complicated with increasing volume fraction of crowders in spherocylindrical crowders.Notably,the mean closure time is found to have a dramatic decrease at a range of volume fraction of crowders 0.36-0.44.We then elucidate that an isotropic to nematic transition of spherocylindrical crowders at this range of volume fraction of crowders is responsible for the unexpected dramatic decrease in the mean closure time. 相似文献
In this study a framework consisting of a computational fluid dynamics simulation coupled to a population balance model for the modeling of emulsion polymerizations is proposed. The combined approach is used to understand the impact of changing length and time scales, as well as mixing conditions on the particle size distribution (PSD) of a polymer latex under different conditions. It is shown that the effect of agitation rate can have a profound impact on the distribution of ionic species in the reactor, and thus on the evolution of the PSD.
A new two-equation model is proposed for large eddy simulations (LESs) using coarse grids. The modeled transport equations are obtained from a direct transposition of well-known statistical models by using multiscale spectrum splitting given by the filtering operation applied to the Navier–Stokes equations. The model formulation is compatible with the two extreme limits that are on one hand a direct numerical simulation and on the other hand a full statistical modeling. The characteristic length scale of subgrid turbulence is no longer given by the spatial discretization step size, but by the use of a dissipation equation. The proposed method is applied to a transposition of the well-known k- statistical model, but the same method can be developed for more advanced closures. This approach is intended to contribute to non-zonal hybrid models that bridge Reynolds-averaged Navier–Stokes (RANS) and LES, by using a continuous change rather than matching zones. The main novelty in the model is the derivation of a new equation for LES that is formally consistent with RANS when the filter width is very large. This approach is dedicated to applications to non-equilibrium turbulence and coarse grid simulations. An illustration is made of large eddy simulations of turbulence submitted to periodic forcing. The model is also an alternative approach to hybrid models. PACS 47.27.Eq 相似文献
The local and global nonlinear dynamics of a two-degrees-of-freedom model system conveying fluid is studied. The undeflected model consistsof an inverted T formed by three rigid rods, with the tips of the twohorizontal rods resting on the viscous foundation. The foundationexhibits a visco-elasto-plastic response, including the Bauschingereffect. The vertical rigid rod of an annular cross-section is subjectedto a conservative (dead) force. Also, it conveys fluid having bothstatic and pulsation components. First, the method of multiple scales isused for the analysis of the local dynamics of the system withvisco-elastic response. Attention is focused on modal interactionphenomena in weak excitation at primary resonance and on hardsub-harmonic excitation. Two different asymptotic expansions areutilised to get a structural response for typical ranges of excitationparameters. Numerical integration of the governing equations is thenperformed to validate the results of asymptotic analysis in each case. Afull global nonlinear dynamics analysis of the visco-elasto-plasticsystem is performed. The role of plastic deformations in thedestabilisation of the system is discussed. Large-amplitude nonlinearoscillations of the visco-elasto-plastic system are studied, includingthe influence of material hardening and of static and periodiccomponents of pulsating fluid. Chaotic regimes of motion with andwithout plastic effects are considered. The results of the analysis maybe used in devices composed of a rather short tube connected to a notcompletely fixed foundation resting on the soil exhibitingelasto-plastic behaviour. 相似文献