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31.
Stanislav I. StoliarovPhillip R. Westmoreland Marc R. Nyden Glenn P. Forney 《Polymer》2003,44(3):883-894
The theory and implementation of reactive molecular dynamics (RMD) are presented. The capabilities of RMD and its potential use as a tool for investigating the mechanisms of thermal transformations in materials are demonstrated by presenting results from simulations of the thermal degradation of poly(methyl methacrylate) (PMMA). While it is known that depolymerization must be the major decomposition channel for PMMA, there are unanswered questions about the nature of the initiation reaction and the relative reactivities of the tertiary and primary radicals formed in the degradation process. The results of our RMD simulations, performed directly in the condensed phase, are consistent with available experimental information. They also provide new insights into the mechanism of the thermally induced conversion of this polymer into its constituent monomers. 相似文献
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Hamid Javaherian Naghash Ahmad Reza Momeni Hamid Alian Ahmad Reza Massah Shahla Ataie 《Polymer International》2005,54(11):1564-1571
Poly(methyl methacrylate) (PMMA) gels with varying amounts of silicone and solvent and constant amounts of crosslinker were prepared by solution free radical crosslinking copolymerization of methyl methacrylate (MMA), ethylene glycol dimethacrylate (EGDM), tetraethoxysilane (TEOS) and vinyltriethoxysilane (VTES) comonomer systems. They were then studied in benzene at a total monomer concentration of 3.5 mol L?1 and 70 °C. The conversion of monomer, volume swelling ratio, weight fraction and gel point were measured as a function of the reaction time, silicone concentration and benzene content up to the onset of macrogelation. Structural characteristics of the gels were examined by using equilibrium swelling in benzene, gel fraction and Fourier‐transform infrared (FTIR) analysis. The morphology of the copolymers was also investigated by SEM. Based on the obtained results, it was concluded that the FTIR data did not have the capacity to show the presence of the VTES or TEOS moiety in these kinds of copolymers. On the other hand, the variation of weight fraction of gel, Wg, and its equilibrium volume swelling ratio in benzene, qv, exhibited the same behaviour as that of MMA/EGDM copolymers. Also, the dilution of the monomer mixture resulted in an increase in the gel point and swelling degree and a decrease in the percent of conversion and gel fraction. Finally, TEOS is not an ideal silicone compound for reaction in the MMA/EGDM copolymerization system, whereas VTES is a suitable silicone comonomer for this system and it has been proved useful. Copyright © 2005 Society of Chemical Industry 相似文献
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The role of gas phase CH3 radicals in the oxidative coupling of CH4 over 1 wt% Sr/La2O3 is supported by the observations that (i) this is a very effective catalyst for the generation of CH3 · radicals and (ii) the concentration of CH3 · radicals increases with temperature over the range of 450 °C–800 °C. 相似文献
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报道以甲基丙烯酸羟乙酯与甲基丙烯酸甲酯的共聚物为载体膜材料,研制成非酶标记的T4免疫传感器,并对载体膜材料的共聚方法及共聚物共聚比与传感器灵敏度的关系进行了探讨。 相似文献
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氯丁橡胶的溶液接枝反应研究 总被引:3,自引:1,他引:2
本文研究了引发剂过氧化苯甲酰的用量对CR接技MMA-AA反应的单体转化率、接枝率及接枝胶的粘度、剥离强度等的影响,并用红外光谱和元素和元素分析对反应产物进行了表征.结果表明,体系中存在接枝、降解、交联三种反应,在不同的配方和工艺条件下,三种反应的反应程度不同. 相似文献