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91.
Lebedev B. V. Kulagina T. G. Smirnova N. N. Shifrina Z. B. Averina M. S. Rusanov A. L. 《Journal of Thermal Analysis and Calorimetry》2003,74(3):735-748
In an adiabatic vacuum calorimeter, the temperature dependence of the heat capacity C
p of phenylated polyphenylene and initial comonomer 1,4-bis(2,4,5-triphenylcyclopentadienone-3-yl)benzene was studied between
6 and 340 K with an uncertainty of about 0.2%. In a calorimeter with a static bomb and an isothermal shield their energies
of combustion DUcomb were measured. From the experimental data, the thermodynamic functions C
p
0 (T), H
0(T)-H
0(0), S
0(T)-S0(0), G
0(T)-H
0(0) were calculated from 0 to 340 K, and standard enthalpies of combustion ΔH
comb
0 and thermodynamic parameters of formation-enthalpies ΔH
f
0, entropies ΔH
f
0, Gibbs functions ΔG
f
0 - of the substances studied were estimated at T=298.15 K at standard pressure. The results were used to calculate the thermodynamic characteristics (ΔH
f
0 ,ΔS
f
0, ΔG
f
0) of phenylated polyphenylene synthesis in the range from 0 to 340 K.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
92.
Dhanpat Rai Dean A. Moore Nancy J. Hess Kevin M. Rosso Linfeng Rao Steve M. Heald 《Journal of solution chemistry》2007,36(10):1261-1285
Chromium(III)-carbonate reactions are expected to be important in managing high-level radioactive wastes. Extensive studies
on the solubility of amorphous Cr(III) hydroxide solid in a wide range of pH (3–13) at two different fixed partial pressures
of CO2(g) (0.003 or 0.03 atm.), and as functions of K2CO3 concentrations (0.01 to 5.8 mol⋅kg−1) in the presence of 0.01 mol⋅dm−3 KOH and KHCO3 concentrations (0.001 to 0.826 mol⋅kg−1) at room temperature (22±2 °C) were carried out to obtain reliable thermodynamic data for important Cr(III)-carbonate reactions.
A combination of techniques (XRD, XANES, EXAFS, UV-Vis-NIR spectroscopy, thermodynamic analyses of solubility data, and quantum
mechanical calculations) was used to characterize the solid and aqueous species. The Pitzer ion-interaction approach was used
to interpret the solubility data. Only two aqueous species [Cr(OH)(CO3)22− and Cr(OH)4CO33−] are required to explain Cr(III)-carbonate reactions in a wide range of pH, CO2(g) partial pressures, and bicarbonate and carbonate concentrations. Calculations based on density functional theory support
the existence of these species. The log 10
K° values of reactions involving these species [{Cr(OH)3(am) + 2CO2(g)⇌Cr(OH)(CO3)22−+2H+} and {Cr(OH)3(am) + OH−+CO32−
⇌Cr(OH)4CO33−}] were found to be −(19.07±0.41) and −(4.19±0.19), respectively. No other data on any Cr(III)-carbonato complexes are available
for comparisons. 相似文献
93.
This paper addresses the problem of stabilizing an uncertain linear system. The uncertaintyq(·) which enters the dynamics is nonstistical in nature. That is, noa priori statistics forq(·) are assumed; only boundsQ on the admissible variations ofq(·) are taken as given. The results given here applied to so-called matched systems differ from previous results in two ways. Firstly, the stabilizing control in this paper is linear; for this same class of problems, many of the existing results would require a nonlinear control. Furthermore, those results which do in fact yield linear controls are only valid when a certain matrix (q) (formed using the given data) is negative definite for allq Q. In contrast, the theory given here only requires compactness of the bounding setQ. Secondly, we show that the so-called matching conditions (used in earlier work) can be generalized so as to encompass a larger class of dynamical systems.This research was supported by the US Department of Energy under Contract No. ET-78-S-01-3390. 相似文献
94.
把取代基电性、立体及疏水性物化参数组合建立一种新取代基描述方法, 对环尿素类和N,N-二甲基-2-溴苯乙胺类衍生物进行结构表征. 对训练样本集通过逐步回归筛选变量, 所建多元线性回归方程R2分别为0.853和0.960, 留一法交互检验Rcv2分别为0.723和0.901;用预测集样本作外部预测, 所得Qext2分别为0.7617和0.7653. 结果显示:环尿素类化合物结构中苯环邻位立体、间位疏水、对位疏水及立体因素对该类药物抗HIV活性产生阻抑作用; N,N-二甲基-2-溴苯乙胺类苯环上取代基立体因素及对位给电子效应有利于提高肾上腺素能阻断活性. 相似文献
95.
A. Kovacs A. Moussa I. Othman C. Del Valle Odar A. Seminario M. Linares P. Huamanlazo J. Aymar R. Chu 《Radiation Physics and Chemistry》1998,52(1-6):447-451
Two industrial scale, “ROBO” type 60Co gamma irradiation facilities have recently been put into operation in Syria and Peru, and the dosimetry commissioning of both plants have been carried out to determine dose distribution within products and to calculate plant parameters such as efficiency, dose uniformity ratio and throughput. There are some design modifications between the two plants in connection with the location of the carriers with respect to the source plaque and also to each other. The effect of these construction modifications on the plant parameters is discussed in the analysis of the dose distribution data measured in the carriers with depth and height among the four irradiation rows on both sides of the source plaque. The plant parameters were also calculated for different product densities using the technical data of the facilities, and the calculated and measured results were compared to each other. 相似文献
96.
The mechanical properties of polypropylene random copolymer (PP-R) with different processing parameters were studied. Special attention is devoted to the investigation of the influence of masterbatch addition on the variation in the mechanical properties of injection moulded PP-R. Tensile, instrumented Charpy impact, Shore D hardness, differential scanning calorimeter (DSC) and Vicat softening temperature (VST) tests were conducted on the test samples containing different colour masterbatches varying from 0.5 to 10 wt%. The observed changes in the mechanical behaviour are explained by the type and level of masterbatch content. The natural UV weathering performance of the PP-R material was studied from the masterbatch type point of view. The effect of processing parameters on material performance was studied on samples which were directly obtained from extruded pipes and on injection moulded samples.
Finally, the effects of storage time on the polymer properties were investigated. 相似文献
97.
Concetta De Stefano Claudia Foti Antonio Gianguzza Frank J. Millero Silvio Sammartano 《Journal of solution chemistry》1999,28(7):959-972
The hydrolysis of trimethyltin(IV) has been studied by potentiometry (H+ -glass electrode) and calorimetry in various salt media (NaNO3, NaCl, KCl, Na2SO4, and NaNO3—NaCl mixtures). The effect of ionic strength on the hydrolysis constants is accounted for by a simple Debye–Hückel type equation and by Pitzer equations. The results allow us to obtain H for hydrolysis and the temperature dependence of the Pitzer parameters. The resulting coefficients can be used to examine the speciation of (CH3)3Sn+ in multicomponent electrolyte solutions, such as natural waters, over a wide range of temperature and ionic strength. 相似文献
98.
A combination of "black box" and "calendar-time" methods for the determination of calibration intervals of an analytical
measuring instrument is discussed. Since the methods require information on the distributions of the calibration parameters,
such information is described for an atomic absorption spectrophotometer, as an example. The hypotheses on the normal distribution
of the calibration parameters are tested using the ω2-criterion and accepted at 0.90–0.95 levels of confidence. Corresponding control charts are designed for indication of warning
and action limits of the calibration parameters, and diagnoses of outliers in further calibrations. Control charts indicate
also when the calibration should be done according to the full program of the equipment manufacturer.
Received: 15 April 2000 / Accepted: 24 July 2000 相似文献
99.
Jin Chen Lin-xi Zhang A-gen Xia 《高分子科学》2006,(1):13-19
It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly. Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution p(r) of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice. The probability distribution of end-to-end distance p(r) of short two-dimensional compact polymers chains may consist of two parts, i.e. p(r) = p1(r) p2(r), where p1(r) and p2(r) are different for small r. The rate of contact formation decreases monotonically with the number of bonds N, and the rate approximately conforms to the scaling relation of k(N) ∝ N-α. Here the value of α increases with the contact radius a and it also depends on the percentage of H (hydrophobic) residues in the sequences of compact chains and the energy parameters of εHH, εHP and εPP . Some comparisons of theoretical predictions with experimental results are also made. This investigation may help us to understand the protein folding. 相似文献
100.
The absorption spectrum of neodymium (III) (Nd3+ doped in poly(methyl methacrylate) was measured. The Nephlauxetic effect was found in the spectrum compared to other spectra of Nd3+ doped in various matrices. The experimental data used, Slater-Condon parameters (F2,F4,F6) and Lander parameter (ζ4f) were calculated by the Taylor series expansion based on the assumption that the energy separation between J-levels of the 4fn-configuration is a function of F2,F4,F6 and ζ4f. The Judd-Ofled intensity parameters (Ω2,Ω4,Ω6) were also calculated. Analysis of the Nephlauxetic effect and the parameters variation on the host matrices was carried out. 相似文献