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51.
Liquid-crystal phase equilibria of Lennard-Jones chain fluids and the solubility of a Lennard-Jones gas in the coexisting phases are calculated from Monte Carlo simulations. Direct phase equilibria calculations are performed using an expanded formulation of the Gibbs ensemble. Monomer densities, order parameters, and equilibrium pressures are reported for the coexisting isotropic and nematic phases of: (1) linear Lennard-Jones chains, (2) a partially-flexible Lennard-Jones chain, and (3) a binary mixture of linear Lennard-Jones chains. The effect of chain length is determined by calculating the isotropic-nematic coexistence of linear Lennard-Jones chain fluids made of 8, 10, and 12 segments (8-, 10-, 12-mer). The effect of molecular flexibility on the isotropic-nematic equilibrium is studied for a Lennard-Jones 10-mer chain fluid with one freely-jointed segment at the end of the chain. An isotropic-nematic phase split and fractionation are reported for a binary mixture of linear 7-mer and 12-mer chains. Simulation results are compared with theoretical results as obtained from a recently developed analytical equation of state based on perturbation theory. Excellent agreement between theory and simulations is observed. The solubility of a monomer Lennard-Jones gas in the coexisting isotropic and nematic phases is estimated using the Widom test-particle insertion method. A linear relationship between solubility difference and density difference at isotropic-nematic coexistence is observed. It is shown that gas solubility is independent of the nematic ordering of the fluid, at constant temperature and density conditions. 相似文献
52.
Paula C. Barbosa Luísa C. Rodrigues Maria Manuela Silva Michael J. Smith Prudência B. Valente Alexandra Gonçalves Elvira Fortunato 《先进技术聚合物》2011,22(12):1753-1759
Solid polymer electrolyte (SPE) systems based on interpenetrating blends of poly(ethylene oxide‐co‐propylene oxide) and poly(methyl methacrylate) host matrices, with lithium perchlorate as guest salt, were prepared. These electrolytes were presented as free‐standing films, and their thermal and electrochemical properties were characterized by conductivity and electrochemical stability measurements. The properties of the interpenetrating blends of poly(ethylene oxide‐co‐propylene oxide) and poly(methyl methacrylate) host matrices as the electrolyte component of a solid‐state electrochromic device are reported and the results obtained suggest that this electrolyte provides an encouraging performance in this application. The most conducting electrolyte composition of this SPE system is the formulation designated as SPE2‐0PC (5.01 × 10?4 S cm?1 at about 57°C). The lowest decomposition temperature was registered with the SPE6‐15PC composition (233°C). The average transmittance in the visible region of the spectrum was above 41% for all the samples analyzed. After coloration the device assembled with 71 wt% PC presented an average transmittance of 15.71% and an optical density at 550 nm of 0.61. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
53.
Luke Bartkus Dulasiri Amarasiriwardena Bernardo Arriaza David Bellis Jorge Yaez 《Microchemical Journal》2011,98(2):267-274
Lead exposure has received increased attention over the past few decades since it has been shown to have adverse effects on physical and intellectual development in humans. The use of biological tissues such as blood, teeth, hair, and bone for assessment of lead exposure has been previously demonstrated. While analysis of blood for trace metals provides information concerning recent exposure, hair offers insight into a period of several months, and is preferable since it is non-invasively collected and easily stored. The present study analyzed total of 49 ancient hair samples for lead (PbH) using LA-ICP-MS. Samples belonged to an ancient fisher hunter–gatherer culture called the “Chinchorro,” and who occupied regions of the Atacama Desert on the northern coast of Chile from approximately 5000–1500 B.C. and practiced the first-known form of artificial mummification. Several samples from a post-Chinchorro agricultural community (n = 12) ca. 1000–1400 A.D. were also analyzed. A suite of hair standards was developed using contemporary hair from the same region and was subsequently used to make linear calibration functions for lead determination in single strands of hair using LA-ICP-MS. Three linear scans ranged from 500 to 1000 μm were performed for each sample and signal intensities were normalized over 13C. The distribution of lead in the central medulla in a 100 μm cross-section scan of hair strand demonstrated minimal exogenous contamination. Hair lead (PbH) concentrations ranged between 2.2 μg/g and 12.8 μg/g could be accurately quantified with these standards. Twenty one out of 49 samples (43%) showed PbH concentrations higher than the average value of 5 μg/g for unexposed individuals (range 1.1–228.0 μg/g). Median hair lead concentrations by burial sites and are shown in order of decreasing concentration: Morro (13.8 μg/g) > Iquique (6.6 μg/g) > Azapa (4.5 μg/g) > Yungay (4.1 μg/g) > Camarones (2.7 μg/g). Most of the burial sites showed PbH concentrations greater than the normal value for unexposed individuals and outliers heavily influenced average concentrations. The results suggest that the Chinchorro and later agro-pastoral populations were not widely exposed to naturally elevated lead. 相似文献
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A most debated topic of the last years is whether simple statistical physics models can explain collective features of social dynamics. A necessary step in this line of endeavor is to find regularities in data referring to large-scale social phenomena, such as scaling and universality. We show that, in proportional elections, the distribution of the number of votes received by candidates is a universal scaling function, identical in different countries and years. This finding reveals the existence in the voting process of a general microscopic dynamics that does not depend on the historical, political, and/or economical context where voters operate. A simple dynamical model for the behavior of voters, similar to a branching process, reproduces the universal distribution. 相似文献
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58.
Stabilization of Titanium Dioxide Nanoparticles at the Surface of Carbon Nanomaterials Promoted by Microwave Heating
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Rui Zhang Prof. Dr. Saveria Santangelo Dr. Enza Fazio Prof. Dr. Fortunato Neri Dr. Massimiliano D'Arienzo Prof. Dr. Franca Morazzoni Prof. Dr. Yihe Zhang Prof. Dr. Nicola Pinna Dr. Patrícia A. Russo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(42):14901-14910
TiO2 is frequently combined with carbon materials, such as reduced graphene oxide (RGO), to produce composites with improved properties, for example for photocatalytic applications. It is shown that heating conditions significantly affect the interface and photocatalytic properties of TiO2@C, and that microwave irradiation can be advantageous for the synthesis of carbon‐based materials. Composites of TiO2 with RGO or amorphous carbon were prepared from reaction of titanium isopropoxide with benzyl alcohol. During the synthesis of the TiO2 nanoparticles, the carbon is involved in reactions that lead to the covalent attachment of the oxide, the extent of which depends on the carbon characteristics, heating rate, and mechanism. TiO2 is more efficiently stabilized at the surface of RGO than amorphous carbon. Rapid heating of the reaction mixture results in a stronger coupling between the nanoparticles and carbon, more uniform coatings, and smaller particles with narrower size distributions. The more efficient attachment of the oxide leads to better photocatalytic performance. 相似文献
59.
Paul H. Bernardo Jasmeet K. KhanijouTze Hau Lam Joo Chuan Tong Christina L.L. Chai 《Tetrahedron letters》2011,52(1):92-94
A series of 8-anilino and 9-anilinophenanthridine-7,10-diones was prepared and screened against various cancer cell lines to measure anti-proliferative activity. The compounds tested display potent cytotoxic activity in the micromolar and sub-micromolar range. These compounds are promising new leads for developing anticancer compounds. 相似文献
60.
García Pinto C Herrero Martín S Pérez Pavón JL Moreno Cordero B 《Analytica chimica acta》2011,(1):129-136
A method based on simplified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) extraction followed by large-injection volume-fast gas chromatography and mass spectrometry detection has been developed for the determination of trihalomethanes (chloroform, bromodichloromethane, dibromochloromethane and bromoform) and BTEX (benzene, toluene, ethylbenzene and xylenes) in soil samples.The simplified version of QuEChERS used meets the requirements of the “green chemistry” and provides reliable results with high sample throughput, low solvent consumption, little labour and the use of materials commonly employed in laboratories. The GC device used is equipped with a programmable temperature vaporizer (PTV), with a liner packed with Tenax-TA®. Using the solvent-vent mode, the PTV allows the injection of large volumes of sample, affording an improvement in the sensitivity of the method. The chromatographic conditions used here allowed the separation of the compounds in less than 5.50 min. Good linearity was obtained for all the target compounds, with highly satisfactory repeatability and reproducibility values. The limits of detection were in the 0.2 to 15 μg kg−1 range. The method was validated by the analysis of two certified reference materials. 相似文献