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121.
We derive scaling forms for the thermodynamic and correlation quantities for the turn-weighted fully and partially directed self-avoiding walks on the hypercubic lattices ind2. In the grand canonical (fixed fugacity per step) ensemble, the conformational rod-to-coil transition sets up in the regimew¯N=O(1), wherew is the weight of each 90° turn and¯N is the (fugacity-dependent) average number of steps. Contrary to the conventional critical phenomena wisdom, the scaling functions for the two different walk models, directed and partially directed, become universal only in the limitd.  相似文献   
122.
123.
A series ofS N2 reactions with halomethanes as substrates and the corresponding anions as nucleophiles were studied by the semiempirical MNDO and AM1 methods, taking into account solvent effects. Analysis of the kinetics, structures of reagents, intermediates and products, and charge distribution in them allows one to draw the conclusion that the retardation ofS N2 reactions is stronger in solvents than in the gas phase, and the rates of reactions involving anions with a lower number of halogen atoms are higher.For Part 8 see Ref. 1.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2148–2154, November, 1995.This work was partially financially supported by the International Science Foundation (Grant No. MHYOO).  相似文献   
124.
新型聚丙烯酸酯类柴油降凝剂分子模型的建立及验证   总被引:3,自引:1,他引:3  
在前期工作得出的正构烷烃含量与浊点、冷滤点、凝点的定量关系模型基础上,选择柴油降凝剂的基团对柴油降凝剂分子结构进行了设计,得出了设计模型。结果表明,将含氮基团引入柴油降凝剂可以显著提高柴油降凝剂的性能。根据设计模型合成了一系列聚丙烯酸单酯和混合酯柴油降凝剂,并通过对柴油降凝剂的性能测试结果和自行设计的计算程序对设计模型进行了验证,结果表明,从柴油正构烷烃含量对柴油降凝剂的配比进行设计是可行的。  相似文献   
125.
The influence of the pH of precipitation and the ionic medium nature on the composition, surface charge, and kinetic sorption characteristics of aluminum oxyhydroxides formed by alkaline hydrolysis of an aqueous solution of aluminum nitrate was studied. The methods of drop titration with alkali, argentometric titration, point of zero charge, and indicator reactions of heterogeneous hydrolysis were used. The composition of the freshly precipitated hydrogels of aluminum(iii) oxyhydroxide, rate constants of heterogeneous hydrolysis of the IrCl6 2– ions as indicator reactions, and the pH of the point of zero charge were determined. The rate of indicator reactions (as for other oxyhydroxide hydrogels) depends strongly on the pH of precipitation. However, it is lower than the rates characteristics of iron(iii) and chromium(iii) oxyhydroxides obtained under similar conditions. The pH of the point of zero charge for the alumogels in a chloride medium is 8.3 and that in a sulfate medium is 9.5.  相似文献   
126.
Asiswellknown,thetheoryfornonlinearpolymerizationswasinitiatedbyFloryandStockmayer[1—3].MillerandMacosko[4—6]proposedarecursivemethodfordealingwiththeproblemofthepostgelpropertiesofthenetworkformingpolymerization.Stepto[7]investigatedthegelgelreactionofRAft…  相似文献   
127.
来用连续加料法,以二元醇-KOH为引发剂合成一组不同组成的环氧乙烷-环氧丙烷无规共聚醚,并用核磁共振、红外光谱、示差扫描量热计和热失重等方法对其本体聚合物,用浊点和表面张力测定的方法对其水溶液,进行系统的表征。  相似文献   
128.
The aim of this paper is to determine to what extent (i) deposition of oral bacteria and polystyrene particles, (ii) onto quartz and dental enamel with and without a salivary conditioning film, (iii) in a parallel plate (PP) and stagnation point (SP) flow chamber and at common Peclet numbers are comparable. All three bacterial strains showed different adhesion behaviors, and even Streptococcus mitis BMS, possessing a similar cell surface hydrophobicity as polystyrene particles, did not mimic polystyrene particles in its adhesion behavior, possibly as a result of the more negative ζ potentials of the polystyrene particles. The stationary endpoint adhesion of all strains, including polystyrene particles, was lower in the presence of a salivary conditioning film, while also desorption probabilities under flow were higher in the presence of a conditioning film than in its absence. Deposition onto quartz and enamel surfaces was different, but without a consistent trend valid for all strains and polystyrene particles. It is concluded that differences in experimental results exist, and the process of bacterial deposition to enamel surfaces cannot be modeled by using polystyrene particles and quartz collector surfaces.  相似文献   
129.
We consider an Ising model with Kac potential dK(¦x¦) which may have arbitrary sign, and show, following Gates and Penrose, that the free energy in the classical limit0+ can be obtained from a variational principle. When the Fourier transform of the potential has its maximum atp=0 one recovers the usual mean-field theory of magnetism. When the maximum occurs forp 00, however, one obtains an oscillatory or helicoidal phase in which the magnetization near the critical point oscillates with period 2p 0¦. An example with a potential possessing parameter-dependent oscillations is shown to exhibit crossover phenomena and a multicritical Lifshitz point in the classical limit.  相似文献   
130.
分子诱导效应指数与链烷烃的沸点   总被引:1,自引:0,他引:1  
利用基团的诱导效应指数,首次提出了分子的诱导效应指数的概念,并定义了 链烷烃的有效碳链长度NC=(MIs,N/MIb,N)·N,式中MIs,N,MIb,N分别为直链和支 链异构体的分子诱导效应指数。研究结果表明,链烷烃的沸点Tb(℃)与NC关系是 :1n(806.5-Tb)=6.9824-0.11431NC^2/3  相似文献   
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