Castor oil polyurethane/poly(methyl methacrylate) AB crosslinked polymers (ABCP) were synthesized by free radical copolymerization of MMA and vinyl-terminated castor oil polyurethane which was obtained from isocyanate...Castor oil polyurethane/poly(methyl methacrylate) AB crosslinked polymers (ABCP) were synthesized by free radical copolymerization of MMA and vinyl-terminated castor oil polyurethane which was obtained from isocyanate-terminated castor oil polyurethane and hydroxyethyl methacrylate The mechanical properties, transition and relaxation, as well as compatibility and morphology of the ABCP were investigated by changing the component. The results show that the ABCP is a semicompatible system and the compatibility of the two components decreases with increasing content of the hard segment. The mechanical and damping properties of the ABCP are obviously superior to that of their homopolymers. The damping value is mainly controlled by cross[ink density of the ABCP but the T-g value by component.展开更多
The mechanical properties of PBXs composed of the well-known insensitive explo-sive TATB (1,3,5-Triamino-2,4,6-trinitrobenzene) crystal and four kinds of typical fluo-rine-polymers, i.e. poly (vinylidene difluoride) (...The mechanical properties of PBXs composed of the well-known insensitive explo-sive TATB (1,3,5-Triamino-2,4,6-trinitrobenzene) crystal and four kinds of typical fluo-rine-polymers, i.e. poly (vinylidene difluoride) (PVDF), polychlorotrifluoroethylene (PCTFE), fluo-rine rubber (F2311) and fluorine resin (F2314) individually, have been simulated by molecular dy-namics (MD) method. The results show that the mechanical properties of TATB can be effectively improved by blending with a small amount of fluorine-polymers. Different mechanical properties of PBXs are obtained by putting fluorine-polymer binders parallel to different crystalline surfaces. The whole effect of improving mechanical properties is found to be (010)?(100)>(001).展开更多
Molecular dynamics （MD） method was used to simulate 1,3,5-triamino-2,4,6-trinitrobenzene （TATB） coated with fluorine containing polymers. The mechanical properties and binding energies of PBXs were obtained. It wa...Molecular dynamics （MD） method was used to simulate 1,3,5-triamino-2,4,6-trinitrobenzene （TATB） coated with fluorine containing polymers. The mechanical properties and binding energies of PBXs were obtained. It was found that when the number of chain monomers of fluorine containing polymers was the same, the elasticity of TATB/F2314 was increased more greatly than others and the binding energy of TATB/F2311 was the largest among four PBXs. Detonation heat and velocity of such four PBXs were calculated according to theoretical and empirical formulas. The results show that the order of detonation heat is TATB〉TATB/PVDF〉TATB/F2311〉TATB/ F2314 〉 TATB/PCTFE while the order of detonation velocity is TATB/PVDF 〈 TATB/F2311 〈 TATB/F2314 〈 TATB/PCTFE 〈TATB.展开更多
A molecular dynamics simulation method is presented and used in the study of the formation of polymer networks. We study the formation of networks representing the methylene repeating units as united atoms. The networ...A molecular dynamics simulation method is presented and used in the study of the formation of polymer networks. We study the formation of networks representing the methylene repeating units as united atoms. The network formation is accomplished by cross-linking polymer chains with dedicated functional end groups. The simulations reveal that during the cross-linking process, initially branched molecules are formed before the gel point; approaching the gel point, larger branched entities are formed through integration of smaller branched molecules, and at the gel point a network spanning the simulation box is obtained; beyond the gel point the network continues to grow through the addition of the remaining molecules of the sol phase onto the gel （the network）; the final completion of the reaction occurs by intra-network connection of dangling ends onto unsaturated cross-linkers. The conformational properties of the strands in the undeformed network are found to be very similar with the conformational properties of the chains before cross-linking. The uniaxial deformation of the formed networks is investigated and the modulus determined from the stress-strain curves shows reciprocal scaling with the precursor chain length for networks formed from sufficiently large precursor chains （N≥ 20）.展开更多
Molecular dynamics(MD)simulations are conducted to study the thermo-mechanical properties of a family of thermosetting epoxy-amines.The crosslinked epoxy resin EPON862 with a series of cross-linkers is built and simul...Molecular dynamics(MD)simulations are conducted to study the thermo-mechanical properties of a family of thermosetting epoxy-amines.The crosslinked epoxy resin EPON862 with a series of cross-linkers is built and simulated under the polymer consistent force field(PCFF).Three types of curing agents(rigidity1,3-phenylenediamine(1,3-P),4,4-diaminodiphenylmethane(DDM),and phenol-formaldehyde-ethylenediamine(PFE))with different numbers of active sites are selected in the simulations.We focus on the effects of the cross-linkers on thermo-mechanical properties such as density,glass transition temperature(T_(g)),elastic constants,and strength.Our simulations show a significant increase in the Tg,Young’s modulus and yield stress with the increase in the degree of conversion.The simulation results reveal that the mechanical properties of thermosetting polymers are strongly dependent on the molecular structures of the cross-linker and network topological properties,such as end-to-end distance,crosslinking density and degree of conversion.展开更多
对具有良好液晶聚合物微纤结构的聚丙烯/热致液晶聚合物/玻璃纤维(PP/TLCP/GF)混杂复合材料,使用静态拉伸和动态力学分析(DMA)的方法研究了材料的力学性能。拉伸实验结果表明,混杂复合材料的拉伸强度和模量随着PP和TLCP挤出后的牵伸... 对具有良好液晶聚合物微纤结构的聚丙烯/热致液晶聚合物/玻璃纤维(PP/TLCP/GF)混杂复合材料,使用静态拉伸和动态力学分析(DMA)的方法研究了材料的力学性能。拉伸实验结果表明,混杂复合材料的拉伸强度和模量随着PP和TLCP挤出后的牵伸速率增大而上升,并且含有增容剂PP g MAH的体系,力学性能更优异。DMA测试结果表明,混杂复合材料的动态模量E′随着体系中玻纤的含量增加而增大;当体系中加入增容剂后,复合材料的刚性得到进一步提高。但无论是否使用了增容剂PP g MAH,当体系中玻纤含量高于20%后,模量随玻纤含量增大的趋势变缓。当体系中增强相的含量增加,以及加入增容剂使增强相与基体的界面粘结得到改善后,PP基体的损耗因子(tanδ)峰值都有一定的减小。展开更多
基金Project supported by the National Natural Science Foundation of China.
文摘Castor oil polyurethane/poly(methyl methacrylate) AB crosslinked polymers (ABCP) were synthesized by free radical copolymerization of MMA and vinyl-terminated castor oil polyurethane which was obtained from isocyanate-terminated castor oil polyurethane and hydroxyethyl methacrylate The mechanical properties, transition and relaxation, as well as compatibility and morphology of the ABCP were investigated by changing the component. The results show that the ABCP is a semicompatible system and the compatibility of the two components decreases with increasing content of the hard segment. The mechanical and damping properties of the ABCP are obviously superior to that of their homopolymers. The damping value is mainly controlled by cross[ink density of the ABCP but the T-g value by component.
基金supported by the National Natural Science Foundation of China(Grant Nos.10176012 and 20173028).
文摘The mechanical properties of PBXs composed of the well-known insensitive explo-sive TATB (1,3,5-Triamino-2,4,6-trinitrobenzene) crystal and four kinds of typical fluo-rine-polymers, i.e. poly (vinylidene difluoride) (PVDF), polychlorotrifluoroethylene (PCTFE), fluo-rine rubber (F2311) and fluorine resin (F2314) individually, have been simulated by molecular dy-namics (MD) method. The results show that the mechanical properties of TATB can be effectively improved by blending with a small amount of fluorine-polymers. Different mechanical properties of PBXs are obtained by putting fluorine-polymer binders parallel to different crystalline surfaces. The whole effect of improving mechanical properties is found to be (010)?(100)>(001).
基金Project supported by the Significant Fundation of China Academy of Engineering Physics （No. 2004Z0503） and the National Natural Science Foundation of China （No. 10176012）.
文摘Molecular dynamics （MD） method was used to simulate 1,3,5-triamino-2,4,6-trinitrobenzene （TATB） coated with fluorine containing polymers. The mechanical properties and binding energies of PBXs were obtained. It was found that when the number of chain monomers of fluorine containing polymers was the same, the elasticity of TATB/F2314 was increased more greatly than others and the binding energy of TATB/F2311 was the largest among four PBXs. Detonation heat and velocity of such four PBXs were calculated according to theoretical and empirical formulas. The results show that the order of detonation heat is TATB〉TATB/PVDF〉TATB/F2311〉TATB/ F2314 〉 TATB/PCTFE while the order of detonation velocity is TATB/PVDF 〈 TATB/F2311 〈 TATB/F2314 〈 TATB/PCTFE 〈TATB.
基金the Katholieke Universiteit Leuven for a postdoctoral fellowship(GOA/10/04)
文摘A molecular dynamics simulation method is presented and used in the study of the formation of polymer networks. We study the formation of networks representing the methylene repeating units as united atoms. The network formation is accomplished by cross-linking polymer chains with dedicated functional end groups. The simulations reveal that during the cross-linking process, initially branched molecules are formed before the gel point; approaching the gel point, larger branched entities are formed through integration of smaller branched molecules, and at the gel point a network spanning the simulation box is obtained; beyond the gel point the network continues to grow through the addition of the remaining molecules of the sol phase onto the gel （the network）; the final completion of the reaction occurs by intra-network connection of dangling ends onto unsaturated cross-linkers. The conformational properties of the strands in the undeformed network are found to be very similar with the conformational properties of the chains before cross-linking. The uniaxial deformation of the formed networks is investigated and the modulus determined from the stress-strain curves shows reciprocal scaling with the precursor chain length for networks formed from sufficiently large precursor chains （N≥ 20）.
基金supported by the National Natural Science Foundation of China(Grant No.11772043)。
文摘Molecular dynamics(MD)simulations are conducted to study the thermo-mechanical properties of a family of thermosetting epoxy-amines.The crosslinked epoxy resin EPON862 with a series of cross-linkers is built and simulated under the polymer consistent force field(PCFF).Three types of curing agents(rigidity1,3-phenylenediamine(1,3-P),4,4-diaminodiphenylmethane(DDM),and phenol-formaldehyde-ethylenediamine(PFE))with different numbers of active sites are selected in the simulations.We focus on the effects of the cross-linkers on thermo-mechanical properties such as density,glass transition temperature(T_(g)),elastic constants,and strength.Our simulations show a significant increase in the Tg,Young’s modulus and yield stress with the increase in the degree of conversion.The simulation results reveal that the mechanical properties of thermosetting polymers are strongly dependent on the molecular structures of the cross-linker and network topological properties,such as end-to-end distance,crosslinking density and degree of conversion.
文摘 对具有良好液晶聚合物微纤结构的聚丙烯/热致液晶聚合物/玻璃纤维(PP/TLCP/GF)混杂复合材料,使用静态拉伸和动态力学分析(DMA)的方法研究了材料的力学性能。拉伸实验结果表明,混杂复合材料的拉伸强度和模量随着PP和TLCP挤出后的牵伸速率增大而上升,并且含有增容剂PP g MAH的体系,力学性能更优异。DMA测试结果表明,混杂复合材料的动态模量E′随着体系中玻纤的含量增加而增大;当体系中加入增容剂后,复合材料的刚性得到进一步提高。但无论是否使用了增容剂PP g MAH,当体系中玻纤含量高于20%后,模量随玻纤含量增大的趋势变缓。当体系中增强相的含量增加,以及加入增容剂使增强相与基体的界面粘结得到改善后,PP基体的损耗因子(tanδ)峰值都有一定的减小。
