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41.
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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Although comparative judgment methods have a number of distinct advantages over ratings, they share one common problem: On the basis of comparative judgments, it is not possible to recover the origin of item evaluations. One item may be judged more positively than another, but this result does not allow any conclusions about whether either of the items are attractive or unattractive. This article discusses the implications of this limitation for the interpretation of individual differences in comparative judgments. It also presents 3 different methods that may allow determination of the scale origin using a nested model comparison approach. An application illustrates the proposed approach as well as the benefits of determining the scale origin in understanding value judgments. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
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Zongchang Zhao Fangwei Zhou Xiaodong Zhang Songping Li 《International Journal of Refrigeration》2003,26(3):2088
In this paper, a new solution cycle in the double absorption heat transformer is presented and the thermodynamic performance of this new cycle is simulated based on the thermodynamic properties of aqueous solution of lithium bromide. The results show that this new cycle is superior to the cycle being studied by some researchers. This new solution cycle has a wider range of operation in which the system maintains the high value of COP and has larger temperature lifts and operation stability. The relationship between the absorber and the absorbing evaporator is more independent and this makes the operation and control of the system more easier. 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