Lithium heptadecafluorooctanesulfonate catalyzed Mannich-type and aza-Diels-Alder reactions in supercritical carbon dioxide

The Mannich-type reaction of imines with (1-methoxy-2-methylpropenyloxy)trimethylsilane and aza-Diels-Alder reaction of imines with Danishefsky's diene can be carried out in scCO₂ in the presence of lithium heptadecafluorooctanesulfonate which offer a way to synthesize β-amino carbonyl compounds and nitrogen-containing six-membered ring compounds under environmentally benign conditions.     

A parallel cell‐based DSMC method on unstructured adaptive meshes

A parallel DSMC method based on a cell‐based data structure is developed for the efficient simulation of rarefied gas flows on PC‐clusters. Parallel computation is made by decomposing the computational domain into several subdomains. Dynamic load balancing between processors is achieved based on the number of simulation particles and the number of cells allocated in each subdomain. Adjustment of cell size is also made through mesh adaptation for the improvement of solution accuracy and the efficient usage of meshes. Applications were made for a two‐dimensional supersonic leading‐edge flow, the axi‐symmetric Rothe's nozzle, and the open hollow cylinder flare flow for validation. It was found that the present method is an efficient tool for the simulation of rarefied gas flows on PC‐based parallel machines. Copyright © 2004 John Wiley & Sons, Ltd.     

Least‐squares meshfree method for incompressible Navier–Stokes problems

A least‐squares meshfree method based on the first‐order velocity–pressure–vorticity formulation for two‐dimensional incompressible Navier–Stokes problem is presented. The convective term is linearized by successive substitution or Newton's method. The discretization of all governing equations is implemented by the least‐squares method. Equal‐order moving least‐squares approximation is employed with Gauss quadrature in the background cells. The boundary conditions are enforced by the penalty method. The matrix‐free element‐by‐element Jacobi preconditioned conjugate method is applied to solve the discretized linear systems. Cavity flow for steady Navier–Stokes problem and the flow over a square obstacle for time‐dependent Navier–Stokes problem are investigated for the presented least‐squares meshfree method. The effects of inaccurate integration on the accuracy of the solution are investigated. Copyright © 2004 John Wiley & Sons, Ltd.     

Intramolecular energy transferable (2,2‐diphenylvinyl)phenyl substituted poly(p‐phenylenevinylene) derivative with efficient photoluminescence and electroluminescence

A poly(p‐phenylenevinylene) (PPV) derivative containing a bulky (2,2‐diphenylvinyl)phenyl group in the side chain, EHDVP‐PPV, was synthesized by Gilch route. The reduced tolane‐bisbenzyl (TBB) defects, as well as the structure of the polymer, was confirmed by various spectroscopic methods. The intramolecular energy transfer from the (2,2‐diphenylvinyl)phenyl side group to the PPV backbone was studied by UV‐vis and photoluminescence (PL) of the obtained polymer and model compound. The polymer film showed maximum absorption and emission peaks at 454 and 546 nm, respectively, and high PL efficiency of 57%. A yellow electroluminescence (λ_max = 548 nm) was obtained with intensities of 6479 cd/m² when the light‐emitting diodes of ITO/PEDOT/EHDVP‐PPV/LiF/Al were fabricated. The maximum power efficiency of the devices was 0.729 lm/W with a turn‐on voltage of 3.6 V. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5636–5646, 2004     

Effects of poly[styrene‐b‐(ethylene‐co‐butylene)‐b‐styrene] on the charge distributions of low‐density polyethylene/polystyrene blends

The effect of the triblock copolymer poly[styrene‐b‐(ethylene‐co‐butylene)‐b‐styrene] (SEBS) on the formation of the space charge of immiscible low‐density polyethylene (LDPE)/polystyrene (PS) blends was investigated. Blends of 70/30 (wt %) LDPE/PS were prepared through melt blending in an internal mixer at a blend temperature of 220 °C. The amount of charge that accumulated in the 70% LDPE/30% PS blends decreased when the SEBS content increased up to 10 wt %. For compatibilized and uncompatibilized blends, no significant change in the degree of crystallinity of LDPE in the blends was observed, and so the effect of crystallization on the space charge distribution could be excluded. Morphological observations showed that the addition of SEBS resulted in a domain size reduction of the dispersed PS phase and better interfacial adhesion between the LDPE and PS phases. The location of SEBS at a domain interface enabled charges to migrate from one phase to the other via the domain interface and, therefore, resulted in a significant decrease in the amount of space charge for the LDPE/PS blends with SEBS. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2813–2820, 2004     

Synthesis of Cationic PEM Emulsion and Application in Waste Water Treatment

Cationic polymer as a kind of flocculant is widely applied in purification treatment of waste water. Because it has positive charge group, it is able to connect strongly the suspended matters, short cellulose and other microparticles. The research on synthesis of cationic polymer and application in treatment of waste water is very universal abroad. But domestic research on those is not general. The technology of synthesis of PEM is simple, and the production cost is low. It is easy to apply in treatment of waste water.Synthesis of PEM Emulsion FlocculantSome distilled water, PVA(poly(vinyl alcohol)), EA(ethyl acrylate), and K2S2O8(potassium persulfate) were put into reaction vessel. Kept stirring up under nitrogen. When heated the solution to 40℃, dropped the water solution of MTA[(2-methacryloxylethyl)trimethyl ammonium].Maintained the temperature at 70℃, reacted about 7-8 hours. Then got the PEM emulsion. Changed the ratio of EA and MTA. Obtained a series of PEM emulsions.Stability and Convertibility of PEM EmulsionThe test results showed that when the EA/MTA was 85/15, the PEM emulsion was most stable.When the total monomer quantity was 35%, the convertibility of PEM emulsion was the highest,i.e.98.6%.The MTA Copolymerization Ratio and Morphology of PEM EmulsionWhen the monomers EA/MTA=85/15 and total monomer quantity was 35%, the MTA copolymerization ratio of PEM emulsion was 95.15%(the highest), and the PEM emulsion was some microspheres with 100-180nm of diameter.The Test Results of PEM Emulsion in Treatment of Waste Water The PEM emulsion flocculant was applied in treatment of waste water of paper mill, and measured the precipitation time(t) and transmittancy(T). The test results were showed in table 1. The optimum value of PEM which was able to make the waste water of paper mill into clear water was 0.008%.     

The Research on Polymer Microcapsulation for Cell Technology

Microcapsulation is a technology that enwrapped the solid or liquid or some gas matter with membrane materials to form microparticles(i.e.microcapsules). The materials of microcapsule is composed of naturnal polymers or modified naturnal polymers or synthesized polymers. The water-soluble core matter can only use oil-soluble wall materials, and vice versa.Synthesized methods of polymer microcapsulesSynthesized methods with monomers as raw materialsThis kind of methods include suspension polymerization, emulsion polymerization, dispersal polymerization, precipitation polymerization,suspension condensation polymerization, dispersal condensation polymerization, deposition condensation polymerization, interface condensation polymerization, and so on.Synthesized methods with polymers as raw materialsThese methods are suspension cross-linked polymerization, coacervation phase separation,extraction with solvent evaporation, polymer deposition, polymer chelation, polymer gel,solidification of melting polymer, tray-painted ways, fluidized bed ways, and so forth.Polymer materials to synthesize microcapsules2.1. Naturnal polymer materialsThe characteristics of this kind of materials are easy to form membrane, good stability and no toxicity. The polymer materials include lipids(liposome), amyloses, proteins, plant gels, waxes, etc.2.2. Modified polymer materialsThe characteristics of these materials are little toxicity, high viscidity(viscosity), soluble salt materials. But they cannot be used in water, acidic environment and high temperature environment for a long time. The materials include all kind of derivants of celluloses.2.3. Synthesized polymer materialsThe characteristics of the materials are easy to form membrane, good stability and adjustment of membrane properties. The synthesized polymer materials include degradable polymers(PLA, PGA,PLGA, PCL, PHB, PHV, PHA, PEG, PPG and the like) and indegradable polymers(PA, PMMA,PAM, PS, PVC, PB, PE, PU, PUA, PVA and otherwise).The applications of polymer microcapsules in cell technologyThe "artificial cell" is the biological active microcapsule used in biological and medical fields.The applications of cells (including transgenic cells, the same as artificial cells) technology include several aspects as follows:3.1. Microcapsulation of artificial red cell3.2. Microcapsule of artificial cell of biological enzyme3.3. Microcapsule of artificial cell of magnetic material3.4. Microcapsule of artificial cell of active carbon3.5. Microcapsule of active biological cell     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

One-pot Synthesis of 2, 5-Disubstituted Oxazoles Using Poly[styrene（iodosodiacetate）]

2,5-Disubstituted oxazoles were prepared conveniently by treatment of aromatic α-methyl ketones and nitriles with poly[styrene(iodosodiacetate)] in one-pot process.