We proposed a modified dissipative particle dynamics simulation model by which one can effectively avoid the bond-crossing problem, and investigated the effect of solvent size on the structural properties of bottle-br...We proposed a modified dissipative particle dynamics simulation model by which one can effectively avoid the bond-crossing problem, and investigated the effect of solvent size on the structural properties of bottle-brush polymers in dilute solution on the basis of this model. It was found that with the increase of solvent size, the radius of the gyration of the bottle-brush polymer decreases considerably in the athermal solvent but increases in the selective solvent favoring the backbone, respectively.展开更多
The size and weight fraction of crystals of pure ice or dimethylsulfoxide (DMSO) in poly(vinyl alcohol) (PVA) gel prepared from a mixed solvent of DMSO/water were determined from melting peaks observed by differential...The size and weight fraction of crystals of pure ice or dimethylsulfoxide (DMSO) in poly(vinyl alcohol) (PVA) gel prepared from a mixed solvent of DMSO/water were determined from melting peaks observed by differential scanning calorimetry (DSC). The depression of the melting point with respect to the equilibrium melting point and the melting enthalpy gave the crystal size and weight fraction, respectively. The sizes were in the range of a few nm to tens of nm, depending on the composition ratio of the mixed solvent (DMSO/water) and the polymer concentration. Based on the weight fraction, the critical condition at which the whole solvent became non-freezable was estimated, and it was found to depend on both the PVA concentration and the DMSO/water ratio. When the solvent was pure water, the critical PVA concentration was as high as 86.4 wt%, while for pure DMSO solvent it was 50.1 wt%.展开更多
基金Supported by the National Science Foundation of China(Nos.20774036, 50930001)the Program for New Century Excellent Talents in University and Fok Ying Tung Education Foundation(No.114018)
文摘We proposed a modified dissipative particle dynamics simulation model by which one can effectively avoid the bond-crossing problem, and investigated the effect of solvent size on the structural properties of bottle-brush polymers in dilute solution on the basis of this model. It was found that with the increase of solvent size, the radius of the gyration of the bottle-brush polymer decreases considerably in the athermal solvent but increases in the selective solvent favoring the backbone, respectively.
文摘The size and weight fraction of crystals of pure ice or dimethylsulfoxide (DMSO) in poly(vinyl alcohol) (PVA) gel prepared from a mixed solvent of DMSO/water were determined from melting peaks observed by differential scanning calorimetry (DSC). The depression of the melting point with respect to the equilibrium melting point and the melting enthalpy gave the crystal size and weight fraction, respectively. The sizes were in the range of a few nm to tens of nm, depending on the composition ratio of the mixed solvent (DMSO/water) and the polymer concentration. Based on the weight fraction, the critical condition at which the whole solvent became non-freezable was estimated, and it was found to depend on both the PVA concentration and the DMSO/water ratio. When the solvent was pure water, the critical PVA concentration was as high as 86.4 wt%, while for pure DMSO solvent it was 50.1 wt%.
