探寻社会学理论发展的非经验主义道路

默顿倡导以中层理论为中介来联结社会学的经验研究和一般理论研究,推动社会学理论的合理发展,这一倡导具有合理性。但是默顿试图通过以经验研究为基础优先发展中层理论,然后再通过对中层理论进行归纳来形成一般理论这种经验主义策略进而实现这一目标的想法却可能是错误的。正如中层理论并非从经验事实中归纳得来一样,一般理论也难以从中层理论中归纳而来。我们需要探索一条非经验主义的社会学理论发展道路。     

技术导向路径与艺术理论建构

技术作为一种基础性的力量能对艺术发展起到关键作用,但在艺术理论建构过程中这一点却没有得到足够重视。技术从“能量”和“信息”两个维度对艺术产生根本性的影响,因此“为能量使用立法”和“阐释信息”则成为从技术维度建构艺术理论的路径。当下中国正经历一场以移动互联、5G等新引发的技术激变,艺术世界也面临一场崭新变革。艺术理论从技术维度的导向突破实现理论创新,不仅对艺术学自身建设有意义,对整个人文学科的创新发展也都有着不容忽视的意义。     

Radiation chemistry of tris(acetylacetonato) cobalt(iii) in aqueous solutions

Abstract

On radiolysis tris(acetylacetonato) cobalt(III) in aqueous solutions is found to get reduced by reaction with (1) hydrated electrons, (2) H atoms, (3) OH radicals and (4) C₂H₂OH radicals. The bimolecular rate constants for the first three reactions, determined by competition kinetics are: 4 × 10¹⁰, 2.3 × 10⁹ and 4.7 × 10⁹ M^?1sec^?1 respectively. Absorption spectra of the irradiated solutions indicate the formation of bis(acetylacetonato) cobalt(II) from reaction (1), but not from (3). The total cobaltous yield in air-free solutions is given byG(Co⁺⁺) = 5.6 and 6.5 at pH 6.5 and 1 respectively. It appears that G_eaq- ∽ _H ⁺ G_oH ∽ 2.8 in neutral solutions. Considerations of material balance for the primary yields of radiolysis of water suggest the possibility that the so-called independent H-atoms in neutral solutions are probably excited water molecules or ion-pairs.     

Wavespeed analysis: Approximating Arrhenius kinetics with step-function kinetics

The accuracy of using step-function approximations to the Arrhenius exponential in computing the wavespeed in combustion wave propagation is investigated. Gaseous and gasless combustion, and first- and second-order reactions are included in the study. The theoretical analysis is based on Melnikov theory from dynamical systems. The error is shown to be small in most instances. The analytical results are supported with numerical simulations.     

The electronic transport properties for a single-wall ZnO nanotube with different coupling interfaces

The transport properties of a single-wall ZnO nanotube contacted with two Au (Al or Cu ) electrodes are investigated by a theoretical approach. Our results suggest the contact resistance for ZnO nanotube connected with Au electrodes is the largest one as compared with Al and Cu acting as electrodes. The local density of states (LDOS) near the ZnO nanotube/Cu(Al) interface shows the strong electronic interaction. Also shown is that for Au–ZnO system, we can observe a best rectifying performance, the next is the Al–ZnO system, and the third is Cu–ZnO system. This rectification is also fully rationalized by the calculated transmission spectra, the spatial distribution of the lowest unoccupied molecular orbital and highest occupied molecular orbital states, and the electrostatic potential distribution.     

SPONTANEOUS TRANSFORMATIONS OF NANOCLUSTERS

It is well-known that nano-systems can have properties which are distinctly different from macroscopic systems. In this study we point out the following specific behaviour: if the particle number is decreased so that the size of the system is in the nanometer-realm, new effects emerge which reflect certain features of biological systems although the system is inorganic in nature. This behaviour is shown by realistic molecular dynamics calculations in connection with aluminum-nanoclusters at various temperatures. The clusters can transform without external influence from a metastable into a stable state, and there can be more than one stable state, that is, we observe a bifurcation in the sense of chaos-theory. The stable states can differ in both the atomic structure and the outer shape.     

Spondias mombin L. as a green corrosion inhibitor for aluminium in sulphuric acid: Correlation between inhibitive effect and electronic properties of extracts major constituents using density functional theory

The inhibition of aluminium in 0.5 M H₂SO₄ by extracts of Spondias mombin L. was investigated using the standard gravimetric technique at 30–60 °C. The trend of inhibition efficiency with temperature was used to propose the mechanism of inhibition. It was found that the S. mombin L. extract acts as an inhibitor for acid-induced corrosion of aluminium. Inhibition efficiency (%I) of the extract increased with an increase in concentration of the S. mombin L. extract but decreased with temperature. Furthermore, inhibition efficiency (%I) synergistically increased on addition of potassium iodide. Inhibitor adsorption characteristics were approximated by Langmuir adsorption isotherm at all the concentrations and temperatures studied. The mechanism of physical adsorption is proposed from the trend of inhibition efficiency with temperature and from the calculated values of Gibbs free energy, activation energy and heat of adsorption. Quantum chemical calculations were performed using the density functional theory at B3LYP/6-31G (d) level of theory to find out whether a clear link exists between the inhibitive effect of the extract and the electronic properties of its main constituents.     

Equilibrium theory for the hard-core systems

It is found that the density expansion in the argument of the exponential function gives a fine convergence on the equation of state of the hard-sphere system. The pair distribution function and the equation of state is constructed by an intuitive kinetic theoretical method. The equation of state of the hard-core system with attractive potential is constructed semiempirically with the aid of this simple analytical result, and Kamerling-Onnes' constant of the critical point is obtained analytically.