Equations of state for pure and mixture square-well fluids. II. Equations of state

New coordination number models for square-well (SW) fluids are incorporated with the generalized van der Waals partition function to develop equations of state for both pure and mixture SW fluids. The equations of state have been extensively tested with the Monte Carlo simulation data, of which three sets (18 data points) for the pure SW fluids are produced in this work. The results show that, without any parameters, our model reasonably describes not only the PVT behaviors but also the second and third virial coefficients of the model fluids. In addition, a comprehensive comparison has been made between our models and the other equations of state derived from the Lee-Chao and Lee-Sandler coordination number correlations.     

新工科视阈下石油化工类高校应用化学专业课程体系重构

Taking a typical local and industry-orientated applied chemistry major as an example with focusing on the major changes in the form and content of the petrochemical industry, the way to reform the core curriculum system and teaching contents is presented. Based on the changing tendency of refinement of the petrochemical industry, a complete curriculum system with distinctive industry characteristics is set up according to the principles of the emerging engineering education (3E) with several reasonable suggestions. A new model for the construction of a 3E major in chemistry-related majors is suggested. It is a good reference for the construction of curriculum systems for other local and industry-orientated colleges who want to make 3E reform.     

Spectroscopic studies on 2,3,4,5-tetraphenylpyrylium salts with and without silver (I)-bridged structures

Two novel phenylated pyrylium compounds, silver (I)-bridged 2,3,4,5-tetraphenylpyrylium perchlorate (P1) and its silver (I)-free pyrylium ligand (P2) were prepared from 1,2,3,4-tetraphenylcyclopentadiene to examine their spectroscopic behaviors. The UV/vis absorption and fluorescent emission spectra of P1 and P2, measured in three solvents (acetonitrile, dichloromethane and toluene), reveal that the photophysical behaviors are closely related to silver (I) fragment, and strongly dependent on solvent polarity. In polar acetonitrile, P1 displays longer absorption wavelength and much lower fluorescent emission intensity than P2, although they exhibit much similarity in shape. In contrast, in nonpolar toluene, while P2 shows an apparent absorption band at 338 nm, P1 displays a tail-like line without absorption band observed. All the spectra obtained indicate a better coplanarity and a stronger intra-molecular charge transfer in P1 due to the effect of silver (I) fragment. Additionally, the 1H NMR spectra of P1 and P2, which were recorded under the same conditions, indicate that the silver (I) fragment reinforces pyrylium ring's capacity to localize the formal positive charge within the heterocyclic ring.     

Large-scale synthesis of tube-like ZnS and cable-like ZnS-ZnO arrays: Preparation through the sulfuration conversion from ZnO arrays via a simple chemical solution route

Arrayed structures are desirable for many applications, but the fabrication of many material arrays remains a significant challenge. As a prominent II-VI semiconductor, large-scale arrayed ZnS structure has not been easily fabricated. Here, we introduce a simple structure conversion route for the synthesis of novel arrayed structures, and large-scale tube-like ZnS structure arrays and cable-like ZnS-ZnO composite arrays were successfully prepared through sulfuration conversion from arrayed rod-like ZnO structure based on a hydrothermal method at low temperature. XRD, EDS, SEM, TEM and PL are used to confirm the formation of the novel arrayed structure and trace the conversion process. The results show that the conversion ratio can be conveniently tailored by the reaction time, and the PL properties of the obtained materials can be adjusted through the conversion ratio. Especially, the cable-like structure holds the PL properties of both ZnO and ZnS structures. This simple solution method can be further extended to the preparation of other semiconductor sulfide and selenide, and can amplify the application field of large-scale arrays of semiconductors.