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81.
82.
We investigate the statistical and dimensional properties of uniform star polymers attached by the branching vertex of degreef in a wedge geometry in three dimensions and described by the wedge angles and. We show that the growth constant is equal to
f
, where is the self-avoiding walk limit. Thef and (, ) dependences of the corresponding critical exponent
f
(, ) are studied using Monte Carlo techniques. In the casef=1, our results are compared with existing predictions obtained from series expansion and renormalization group methods. We have also estimated the amplitudes for the mean square radius of gyration and the mean square end-to-end branch length. Our results for the ratio of the mean square radius of gyration of anf-star to that of a linear polymer of the same degree of polymerization attached in a similar wedge, and the analogous ratio for the mean square end-to-end branch length, are consistent with these ratios being lattice-independent quantities. 相似文献
83.
Any global minimization algorithm is made by several local searches performed sequentially. In the classical multistart algorithm, the starting point for each new local search is selected at random uniformly in the region of interest. In the tunneling algorithm, such a starting point is required to have the same function value obtained by the last local minimization. We introduce the class of acceptance-rejection based algorithms in order to investigate intermediate procedures. A particular instance is to choose at random the new point approximately according to a Boltzmann distribution, whose temperatureT is updated during the algorithm. AsT 0, such distribution peaks around the global minima of the cost function, producing a kind of random tunneling effect. The motivation for such an approach comes from recent works on the simulated annealing approach in global optimization. The resulting algorithm has been tested on several examples proposed in the literature. 相似文献
84.
P. S. Szczepaniak 《Journal of Optimization Theory and Applications》1989,63(3):459-468
This paper deals with dynamic systems described by nonlinear differential-difference equations of retarded type. The problem considered is to determine the initial function and certain system parameters which minimize a given cost functional. A computational method is presented and some convergence results are given. Numerical examples of linear and nonlinear systems are also included. 相似文献
85.
Adolfo M. Nemirovsky Maurício D. Coutinho-Filho 《Journal of statistical physics》1988,53(5-6):1139-1153
A field-theoretic representation is presented to count the number of configurations of a single self-avoiding walk on a hypercubic lattice ind dimensions with periodic boundary conditions. We evaluate the connectivity constant as a function of the fractionf of sites occupied by the polymer chain. The meanfield approximation is exact in the limit of infinite dimensions, and corrections to it in powers ofd
–1 can be systematically evaluated. The connectivity constant and the site entropy calculated throughout second order compare well with known results in two and three dimensions. We also find that the entropy per site develops a maximum atf1–(2d)–1. Ford=2 (d=3), this maximum occurs atf~0.80 (f~0.86) and its value is about 50% (30%) higher than the entropy per site of a Hamiltonian walk (f=1). 相似文献
86.
Sahadev R. K. Sharma S. K. Sindhwani 《Monatshefte für Chemie / Chemical Monthly》1992,123(10):883-889
Summary The chelation behaviour of some trivalent lanthanide and yttrium metal ion with biologically active 2-hydroxy-1-naphthaldehyde thiosemicarbazone (HNATS) has been investigated by potentiomotric measurements at 20±0.5°C in 75% (v/v) dioxane-water medium at various ionic strengths of sodium perchlorate. The method of Bjerrum and Calvin, as modified by Irving and Rossotti has been used to find out the values of
(average number of ligand bound per metal ion) andpL (free ligand exponent). The formation constants of metal chelates have been computed on a PC-XT computer, using a program patterned after that of Sullivan et al. to give
n
values using weighted least squares method. TheS
min
values (S
min
=2) have been calculated. The order of formation constants of chelates was found to be: La3+3+3+3+3+3+3+3+3+3+. The formation constants of the chelates formed have been correlated to size and ionization potentials of the metal ions.
Potentiometrische Untersuchungen der Komplexierungsgleichgewichte zwischen einigen trivalenten Metallionen und biologisch aktivem 2-Hydroxy-1-naphthaldehyd-thiosemicarbazon (HNATS)
Zusammenfassung Es wurde das Chelierungsverhalten einiger trivalenter Lanthanidenionen mit biologisch aktivem 2-Hydroxy-1-naphthaldehyd-thiosemicarbazon (HNATS) mittels potentiometrischer Messungen bei 20±0.5°C in 75% (v/v) Dioxan-Wasser bei verschiedener Ionenstärke an Natriumperchlorat untersucht. Die Methode nach Bjerrum und Calvin in der Modifikation nach Irving und Rossotti wurde zur Ermittlung der Werte (mittlere Anzahl an Liganden pro Metallion) undpL (Exponent an freiem Liganden) verwendet. Die Komplexbildungskonstanten wurden in Anlehnung an Sullivan et al. an einem PC-XT Computer errechnet. DieS min-Werte (S min=2) wurden ebenfalls bestimmt. Die Reihung der Chelatbildungskonstanten war: La3+相似文献3+ 3+ 3+ 3+ 3+ 3+ 3+ 3+ 3+. Die Bildungskonstanten sind mit der Größe und dem Ionisierungspotential der Metallionen zu korrelieren.
87.
用脉冲回波重叠法测量了钛合金(TC-6)的二阶、三阶弹性常数。实验中发现dμ/dp<0(p<0.17 GPa),dμ/dp>0(p>0.17 GPa)。 相似文献
88.
A. V. Larin D. N. Trubnikov D. P. Vercauteren 《International journal of quantum chemistry》2003,92(1):71-84
Three hydrated aluminosilicate frameworks—LiABW, NaNAT, and BaEDI—are partly optimized with the periodic Hartree–Fock CRYSTAL95 code. In particular, we optimized the positions of the adsorbed water molecules including the positions of the framework cations (ABW, NAT) or part of the framework atomic positions (ABW). This allowed us to compare cation–water clusters in the gas and adsorbed states and discuss the influence of hydrogen bonding to the framework oxygen atoms or to the neighbor water molecules on the atomic properties (quadrupole coupling constant, anisotropy of electric field gradient) of the adsorbed water molecules. The LiBIK structure obtained from X‐ray diffraction is also considered to illustrate the hydrogen bonds occurring between adsorbed water molecules. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 相似文献
89.
AnOscillationConditionforanElectrode-separatedPiezoelectricSensorinNon-electrolyteLiquidSHENDa-zhong,HUANGMing-shan,LINSong,N... 相似文献
90.
Fa Jie Yang Da Ling Yang Shou Hai Zhang Xi Gao Jian 《中国化学快报》2007,18(8):966-968
A new interfacial polymerization (IP) procedure is developed in order to synthesize polypiperazine-amide thin-film membrane on the inner surface of poly(phthalazinone ether sulfone ketone) (PPESK) hollow fiber ultrafiltration (UF) membrane.A hollow fiber composite membrane with good performance was prepared and studied by FT-IR and scanning electron microscopy. 相似文献