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941.
氯化聚乙烯弹性体的固相法合成 总被引:2,自引:0,他引:2
讨论了以固相法合成氯化聚乙烯(CPE)弹性体的过程.实验结果表明,以固相氯化反应所得的CPE,其大分子链上Cl取代基的分布比水相悬浮法更均匀.氯化过程的温度直接影响氯化速度及分子结构,如残留结晶、氯分布等.而聚乙烯颗粒表面与内部的氯化程度取决于氯化速度.大分子链上Cl取代基对邻近基团的氯化起阻碍作用 相似文献
942.
Masao Kunioka Fumi Ninomiya Masahiro Funabashi 《Polymer Degradation and Stability》2007,92(7):1279-1288
The biodegradabilities of poly(?-caprolactone) (PCL) powders (av. size = 180.7 μm) in controlled compost at 58 °C have been studied using the microbial oxidative degradation analyzer (MODA) based on ISO 14855-2 entitled “Determination of the ultimate aerobic biodegradability of plastic materials under controlled composting conditions - Method by analysis of evolved carbon dioxide - Part 2: Gravimetric measurement of carbon dioxide evolved in a laboratory-scale test”. The biodegradability of the PCL powders was 101.4% in a 56-day test period by the ISO method. The biodegradabilities of PCL powders have been studied using percent modern carbon (pMC) measured by accelerated mass spectrometry (AMS). Trapped CO2 was analyzed by AMS to determine the pMC (sample) using 14C radiocarbon concentration. By using the theory that the pMC (sample) was the sum of pMC (compost) (104.88%) and pMC (PCL) (0%) as the respective ratios in the determined period, CO2 (respiration) was calculated only from one reaction vessel. The biodegradability of PCL powders was 79.9% in a 56-day test period by the AMS method. It was found that respiration activities in the sample vessel including PCL, compost and sea sand were the same as that in the blank vessel including compost and sea sand without PCL during the active biodegradation period (0-33 day) at 58 °C. It was confirmed that respiration activities in the sample vessel were slightly higher than that in the blank vessel after active biodegradation due to the propagation of microorganisms using energy and metabolites by PCL biodegradation during those periods. 相似文献
943.
Ab initio molecular orbital theory and density functional theory have been used to study nine isomers of N7 ionic clusters with low spin at the HF/6-31G*, MP2/6-31G*, B3LYP/6-31G*, and B3LYP/6-311(+)G* levels of theory. All stationary
points are examined with harmonic vibrational frequency analyses. Four N7
+ isomers and five N7
− isomers are determined to be local minima or very close to the minima on their potential-energy hypersurfaces, respectively.
For N7
+ and N7
−, the energetically low lying isomers are open-chain structures (C
2
v
and C
2
v
or C2). The results are very similar to those of other known odd-number nitrogen ions, such as N5
+, N9
+, and N9
−, for which the open-chain structures are also the global minima. This research suggests that the N7 ionic clusters are likely to be stable and to be potential high-energy-density materials if they could be synthesized.
Received: 16 July 2001 / Accepted: 8 October 2001 / Published online: 21 January 2002 相似文献
944.
A set of original, analytical equations useful for theoretical calculation of the electron paramagnetic resonance (EPR) signal intensity are presented for the multitude of sample shapes, which range from point-like, line-like, planar, rectangular, cubical, circular, cylindrical, spherical to an irregularly shaped sample. The samples can be situated at any available position within the prescribed part of the microwave cavity (a central cylinder of diameter 11 mm and length 23.5 mm, in either a Bruker single TE102 or double TE104 rectangular cavity, with the modulation coils situated in the left and right side cavity walls, which is connected to a X-band, field-modulated CW Bruker EPR spectrometer). The theoretical computations of EPR signal intensity can be used in the computer simulations in which: (i) the EPR signal intensity profiles are constructed; (ii) the optimal sample positions in the cavity to give a maximum value of signal intensity are found; (iii) the errors associated with sample positioning within the cavity when compared to a second sample of a different size, shape or position are studied. 相似文献
945.
A new kinetic-catalytic method by the initial rate procedure for the determination of nanogram level of iron(III) is developed, which is based on its catalytic effect on the oxidative coupling of 3-methyl-2-benzothiazolinone hydrazone (MBTH) with N,N-dimethylaniline (DMA) to form an indamine dye (λmax=590 nm) in the presence of hydrogen peroxide. Iron(II) is also determined, being oxidized to iron(III) by hydrogen peroxide. Calibration graphs obtained by the initial rate method are linear in the range 1–1000 ng ml−1 Fe and as low as 10−8 M Fe(II, III) can easily be determined. The relative standard deviations are 6.6, 2.5 and 1.5% for ten determinations of 1, 20 and 60 ng ml−1 of Fe(III), respectively. The method is applicable to the determination of iron in natural waters without preconcentration and separation. 相似文献
946.
947.
Roman Boča 《Theoretical chemistry accounts》1982,61(2):179-192
The perturbative configuration interaction using localized orbitals (the PCILO method) was extended in the way that current limitations to the two-centre bond approach were overcome. The localized molecular orbitals contain an arbitrary number of the basis set components; this follows from the a priori stated localized bonding model of a molecule. The extended PCILO method was formulated for the CNDO, INDO and NDDO Hamiltonian approximations. The configuration interaction was performed using the Rayleigh-Schrödinger many-body perturbation theory with the Møller-Plesset type of Hamiltonian partitioning, similar to that used in the so-called modified PCILO method. Applications to molecules with semi-localized and/or semi-delocalized bonds, as benzene or diborane, are presented. 相似文献
948.
A conjugate-gradient method is developed for computing the Moore-Penrose generalized inverseA
of a matrix and the associated projectors, by using the least-square characteristics of both the method and the inverseA
. Two dual algorithms are introduced for computing the least-square and the minimum-norm generalized inverses, as well asA
. It is shown that (i) these algorithms converge for any starting approximation; (ii) if they are started from the zero matrix, they converge toA
; and (iii) the trace of a sequence of approximations multiplied byA is a monotone increasing function converging to the rank ofA. A practical way of compensating the self-correcting feature in the computation ofA
is devised by using the duality of the algorithms. Comparison with Ben-Israel's method is made through numerical examples. The conjugate-gradient method has an advantage over Ben-Israel's method.After having completed the present paper, the author received from Professor M. R. Hestenes his paper entitledPseudo Inverses and Conjugate Gradients. This paper treated the same subject and appeared in Communications of the ACM, Vol. 18, pp. 40–43, 1975. 相似文献
949.
Wayne W. Barrett 《Journal of statistical physics》1977,16(4):371-394
A one-parameter family of partition functions is considered which for zero value of the parameter reduces to the spherical model of a ferromagnet. The model for > 0 is closer to the usual discrete lattice spin model of a ferromagnet than is the spherical model. The first four terms in of the limiting value of the partition function are calculated above and below the critical temperature for arbitrary interactions using the saddle point method to calculate certain correlation functions for the spherical model. These calculations indicate that the critical temperature is independent of for small and certain interactions.Part of this research appeared in the author's doctoral thesis.(3) 相似文献
950.
Exact renormalization group equations are derived for a position-space renormalization of spin systems with weak long-range forces. It is shown how an apparent dependence of the critical exponents on the choice of the renormalization group can be resolved via the mechanism of dangerous irrelevant variables and that this same mechanism is responsible for the breakdown of hyperscaling. The dimensiond=4 can be seen to be a borderline dimension above which classical critical exponents are expected. 相似文献