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91.
It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well. 相似文献
92.
93.
Polyazido high-nitrogen compounds: hydrazo- and azo-1,3,5-triazine 总被引:13,自引:0,他引:13
Huynh MH Hiskey MA Hartline EL Montoya DP Gilardi R 《Angewandte Chemie (International ed. in English)》2004,43(37):4924-4928
94.
以氯化锌、铁氰化钾(含有整合剂)的水溶液为原料,合成了铁锌双金属氰化物(DMC)催化剂。为获得高活性的DMC催化剂,需将叔丁醇 、多元醇螯合剂螯合至其结构中,用XRD、XPS等分析手段,对铁锌DMC催化剂的结构与活性进行分析表征。实验发现,DMC催化剂的晶体结构与螯合剂密切相关,螯合剂能显著降低DMC催化剂的结晶程度,从而提高DMC催化剂的活性。同时,氯化锌过量也有利于DMC催化剂活性的提高。并表征了相关DMC催化剂的活性中心。 相似文献
95.
Enthalpies of solution have been measured from 5 to 85°C for aqueous tetraethyl- and tetrapropylammonium bromides, and the integral heat method is employed to evaluate
for these electrolytes over a wide temperature range. Data taken from the literature have been used to evaluate
for aqueous Bu4NBr over a similar temperature range. These data, along with similar data for Me4NBr, previously reported, have been used to evaluate absolute ionic heat capacities. While the absolute values agree only qualitatively with two other methods of division, the temperature dependences of the three methods essentially agree up to 65°C. Heat capacities due to structural effects on the solvent, obtained by subtracting the inherent heat capacities of the ions, are extraordinarily positive for all four tetraalkylammonium ions and have negative temperature coefficients, indicating that all four ions, including the tetramethylammonium ion, are structure-making ions. 相似文献
96.
The geometries,heats of formation and electronic structures of 15 azido-derivatives of 1,2,3-TNB (Ⅰ),1,2,4-TNB (Ⅱ) and 1,3,5-TNB (Ⅲ) have been studied using quantum chemical AMI method at HF level.The effect of azido substitution on the structures and properties of TNBs has been discussed and the relative stability of the title compounds has been established.The processes of the decomposition of the title compounds by breaking C-NO2,C-N3 and CN-N2 bonds are investigated at UHF-AM1 level.It is shown that the decomposition of the title compounds may be initiated by the cleavage of both C-NO2 and N-N2 bonds. 相似文献
97.
Apparent molal heat capacities
of some piperidine, morpholine, and piperazine derivatives in aqueous solution have been determined by adiabatic calorimetry
in the temperature range 20–55°C and in the molality range 0.2–1m. Comparison of experimental
values with those calculated through group contributions, found for monofunctional compounds, indicates strong interactions
between the hydrophilic centers. An interpretation is given of the possible mechanism of this interaction. Also, values of
ΔC
p
for the addition reaction of proton to nitrogen centers of mono- and bifunctional organic compounds are examined. 相似文献
98.
We use a driving field, of the type first suggested by Evans, to generate a steady heat current in the simplest possible system, a two-dimensional periodic fluid of three hard disks. Hard-disk motion equations can be conveniently derived from repulsive constant-force or linear-force potentials by considering the infinitely repulsive limit of these potentials. We show that the isoenergetic and isokinetic forms of the nonequilibrium equations of motion generate steady-state heat conductivities differing by terms of order 1/N, whereN is the number of particles. The resulting conductivities appear to vary as the logarithm of the driving field strength. Even at low fields, the three-body periodic-system results lie well below Enskog's infinite-system prediction. 相似文献
99.
T'-214相化合物R2-xCexCuO4(R为稀土离子)成为超导体决定于R3+的离子半径大小、Ce4+的取代量和化合物的热处理时的稳定性.从Raman光谱实验结果提出热处理过程中发生电荷转移.Ce4+的取代引起TN(Cu)下降,当TN(Cu)降到0时,超导性出现。不同的稀土离子TN(Cu)不同,稀土离子的反铁磁性(AFM)与超导性(SC)共存。热电势的测量结果可以用双通道模型解释,n型超导体中电子与空穴共存. 相似文献
100.
The thermodynamic quantities associated with ionization of the N1 and N9 protons of adenine have been calorimetrically determined as a function of temperature. The H values for proton dissociation of these groups, with pK values of 4.19 and 9.92, were found to be 5.1 and 9.1 kcal/mole, respectively, at 25°C, =0.025. The C
p
values for proton dissociation of these groups were estimated to be –11 and –17 cal/mole-deg. These results indicate that the large heat capacity changes observed during conformational transitions of polynucleotides are not the result of ionization of the bases. 相似文献