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Sample records for nonpolar oils cyclohexane

  1. Efficient Aerobic Oxidation of Cyclohexane to KA Oil Catalyzed by Pt-Sn supported on MWCNTs

    Indian Academy of Sciences (India)

    Mohammad Sadiq; Muhammad Ali; Rashid Iqbal; Khalid Saeed; Aimal Khan; Muhammad Naveed Umar; Haroon Ur Rashid

    2015-07-01

    Pt-Sn supported on MWCNTs were synthesized and characterized by SEM, EDX, XRD, XRF and surface area and pore size analyzer. The catalyst was used for the partial oxidation of cyclohexane in a Parr type reactor. It was found that Pt-Sn supported on MWCNTs can act as an efficient catalyst for the partial oxidation of cyclohexane into cyclohexanol and cyclohexanone, generating both in a high yield under mild reaction conditions.

  2. Improving oil recovery in the CO2 flooding process by utilizing nonpolar chemical modifiers☆

    Institute of Scientific and Technical Information of China (English)

    Yong Yang; Xiangliang Li; Ping Guo; Yayun Zhuo; Yong Sha

    2016-01-01

    By means of experiments of CO2 miscibility with crude oil, four nonpolar chemicals were evaluated in order to enhance the miscibility of CO2 with crude oil. Through pre-slug injection and joint injection of toluene in CO2, crude oil displacement experiments in the slim-tube were conducted to investigate effects of the toluene-enhanced CO2 flooding under simulated subterranean reservoir conditions. Experimental results showed that toluene can enhance extraction of oil into CO2 and dissolution of CO2 into oil with the increment of 251%and 64%respectively. Addition of toluene can obviously improve the oil recovery in either pre-slug injection or joint injection, and the crude oil recovery increased with the increase of the toluene concentration. The oil recov-ery can increase by 22.5%in pre-slug injection with the high toluene concentration. Pre-slug injection was recom-mended because it can consume less toluene than joint injection. This work could be useful to development and application of the CO2 flooding in the oil recovery as wel as CO2 emission reduction.

  3. Foaming properties of monoglycerol fatty acid esters in nonpolar oil systems.

    Science.gov (United States)

    Shrestha, Lok Kumar; Aramaki, Kenji; Kato, Hiroyuki; Takase, Yoshihiko; Kunieda, Hironobu

    2006-09-26

    Foaming properties of monoglycerol fatty acid esters that have different alkyl chain lengths were studied in different nonpolar oils, namely liquid paraffin (LP 70), squalane, and squalene. The effect of the hydrocarbon chain length of the surfactant, the concentration, the nature of the oil, and the temperature on the nonaqueous foam stability was mainly studied. Five weight percent of glycerol alpha-monododecanoate (monolaurin) formed highly stable foams in squalane at 25 degrees C, and the foams were stable for more than 14 h. Foam stability of the monolaurin/LP 70 and the monolaurin/squalene systems are almost similar, and the foams were stable for more than 12 h. Foam stability was decreased as the hydrocarbon chain length of the monoglyceride decreased. In the glycerol alpha-monodecanoate (monocaprin)-oil systems, the foams were stable only for 3-4 h, depending on the nature of the oil. However, the foams formed in the glycerol alpha-monooctanoate (monocaprylin)-oil systems coarsened very quickly, leading to the progressive destruction of foam films, and all of the foams collapsed within a few minutes. Foam stability decreased when the oil was changed from squalane to squalene, in both monocaprin and monolaurin systems. It was observed that, in the dilute regions, these monoglycerides form fine solid dispersions in the aforementioned oils at 25 degrees C. At higher temperatures, the solid melts to isotropic single-liquid or two-liquid phases and the foams formed collapsed within 5 min. Judging from the wide-angle X-ray scattering (WAXS) and the foaming test, it is concluded that the stable foams are mainly caused by the dispersion of the surfactant solids (beta-crystal) and foam stability is largely influenced by the shape and size of the dispersed solid particles.

  4. Ultrafiltration of oil-in-water emulsions and cyclohexane microemulsions using a rotating disk system; Ultrafiltration d'emulsions huile-eau et de microemulsions de cyclohexane par un systeme a disque rotatif

    Energy Technology Data Exchange (ETDEWEB)

    Moulai-Mostefa, N. [Centre Universitaire Yahia Fares, Ain D' Heb, Medea (Algeria); Brou, A.; Ding, L.H.; Jaffrin, M.Y. [Universite de Technologie de Compiegne, UMR CNRS 6600, Dept. Genie Bilogique, 60 (France)

    2005-04-01

    Oil separation from oil-water effluents containing secondary emulsions is very difficult by traditional techniques and requires using ultrafiltration through a membrane. Oil-water emulsions were ultra-filtered using a prototype of a rotating disk dynamic filtration system equipped with a 190 cm{sup 2} 50 kDa circular membrane. The turbidity of initial solution at 4%wt oil concentration (21 900 NTU) dropped to 2 NTU in the permeate after 15 min of filtration, representing an oil rejection coefficient of 99.5%. Permeate fluxes increased with disk rotation speed to reach 90 l.h{sup -1}.m{sup -2} at 2000 rpm and 24 deg. C. The addition of 6 mm vanes on the disk increased the permeate flux by 100% at the same speed. Micro emulsions were composed of 4 to 20% of cyclohexane, 0.5 to 16% of 2-butanol and 0.25 to 8% of dodecyl sodium sulphate (SDS) in pure water. Permeate fluxes, which were very high (200 l.h{sup -1}.m{sup -2}) at 2000 rpm with a smooth disk and the most dilute solution, dropped to 15 l.h{sup -1}.m{sup -2} for the most concentrated one. Addition of vanes permitted to increase these fluxes by 100%. (authors)

  5. Conversion of polar and non-polar algae oil lipids to fatty acid methyl esters with solid acid catalysts--A model compound study.

    Science.gov (United States)

    Asikainen, Martta; Munter, Tony; Linnekoski, Juha

    2015-09-01

    Bio-based fuels are becoming more and more important due to the depleting fossil resources. The production of biodiesel from algae oil is challenging compared to terrestrial vegetable oils, as algae oil consists of polar fatty acids, such as phospholipids and glycolipids, as well as non-polar triglycerides and free fatty acids common in vegetable oils. It is shown that a single sulphonated solid acid catalyst can perform the esterification and transesterification reactions of both polar and non-polar lipids. In mild reaction conditions (60-70 °C) Nafion NR50 catalyst produces methyl palmitate (FAME) from the palmitic acid derivatives of di-, and tri-glyceride, free fatty acid, and phospholipid with over 80% yields, with the glycolipid derivative giving nearly 40% yields of FAME. These results demonstrate how the polar and non-polar lipid derivatives of algal oil can be utilised as feedstocks for biodiesel production with a single catalyst in one reaction step.

  6. The flotation of Roşia Poieni copper ore in column machine, with non-polar oils addition

    Directory of Open Access Journals (Sweden)

    Ciocani V.

    2005-11-01

    Full Text Available The most important natural resource of copper in Romania is the ore deposit of Roşia Poieni. At present, the utilization of Roşia Poieni poorphyry copper ore is possible by extraction in quarry of the mass ore and mineral processing into a technological flux with modest results for the value of metal recovery in concentrate 70-72 % and an average contents of 16,5 % Cu. Our researches were directed to studies regarding test and utilisation of special procedure of flotation – addition of the non-polar oil – applied to advanced grinding ore with column type machines.

  7. Use of polar and nonpolar fractions as additional information sources for studying thermoxidized virgin olive oils by FTIR

    Directory of Open Access Journals (Sweden)

    Tena, N.

    2014-09-01

    Full Text Available Fourier transform infrared (FTIR spectroscopy has been proposed to study the degradation of virgin olive oils (VOO in samples undergoing thermoxidation. The polar and nonpolar fractions of oxidized oils have been analyzed by FTIR to provide further information on the minor spectral changes taking place during thermoxidation. This information assists in the interpretation of the spectra of the samples. For this purpose polar and nonpolar fractions of 47 VOO samples thermoxidized (190 °C in a fryer were analyzed by FTIR. The time-course change of the band area assigned to single cis double bonds was explained by their correlation with the decrease in oleic acid (adjusted-R2=0.93. The bands assigned to the hydroxyl groups and the first overtone of ester groups was better studied in the spectra collected for the polar and nonpolar fractions, respectively. The bands assigned to peroxide, epoxy, tertiary alcohols and fatty acids were clearly observed in the spectra of the polar fraction while they are not noticeable in the spectra of the oils.La espectroscopía de infrarrojos por transformada de Fourier (FTIR se ha propuesto para estudiar la degradación de los aceites de oliva vírgenes (AOV sujetas a termoxidación. Las fracciones polares y no polares de aceites oxidados se analizaron mediante FTIR para obtener más información sobre los cambios espectrales menores que tienen lugar durante la termoxidación. Esa información ayuda en la interpretación de los espectros de las muestras puras. Con este objetivo, fracciones polares y no polares de 47 AOV termoxidados (190 °C en una freidora se analizaron mediante FTIR. La banda asignada a dobles enlaces cis se explica por su correlación con la disminución de ácido oleico (R2-ajustado=0,93. Las bandas asignadas a los grupos hidroxilos y del primer sobretono de los grupos éster se estudió mejor en los espectros recogidos para la fracción polar y no polar, respectivamente. Grupos asignados a per

  8. Treatment of tunnel wash waters - experiments with organic sorbent materials. Part I: Removal of polycyclic aromatic hydrocarbons and nonpolar oil

    Institute of Scientific and Technical Information of China (English)

    PARUCH AdamM; ROSETH Roger

    2008-01-01

    Tunnel wash waters characterize all waters that run off after washing procedures of tunnels are performed. These waters represent a wide spectrum of organic and inorganic pollutants, such as polycyclic aromatic hydrocarbons (PAHs) and toxic metals. Removal of such contaminants from water runoff was investigated using laboratory tests after washing procedure was performed on two road tunnels in eastern Norway (Hanekleiv and Bragernes). Due to diverse character of both, treatment media and treated wash waters, the whole investigation was divided into two separate laboratory experiments. The treatment efficiencies were established based on the levels of concentrations and reductions of the measured contaminants in the effluents released from the tested media. In the first part of the article, the contents of nonpolar oil (NPO), 16 individual PAHs, and total PAHs (∑PAH16) are described. This part revealed that the combination of two organic sorbent materials provided the highest treatment efficiency for wash waters released from the road tunnel and from electrostatic filters. The greatest reduction levels reached 97.6% for NPO, 97.2% for benzo[a]pyrene, and 96.5% for the total PAHs. In the second part of the article, the concentrations and the removal rates of toxic metals are reported

  9. Oligoesters and polyesters produced by the curing of sunflower oil epoxidized biodiesel with cis-cyclohexane dicarboxylic anhydride: Synthesis and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Reiznautt, Quelen B. [Laboratory of Instrumentation and Molecular Dynamics, Department of Physical Chemistry, Chemistry Institute, Federal University of Rio Grande do Sul, Av. Bento Goncalves 9500, CEP: 91501-970, Porto Alegre (Brazil); Garcia, Irene T.S. [Department of Analytical and Inorganic Chemistry, Chemistry and Geosciences Institute, Federal University of Pelotas, 96010-900, Pelotas (Brazil); Samios, Dimitrios, E-mail: dsamios@iq.ufrgs.br [Laboratory of Instrumentation and Molecular Dynamics, Department of Physical Chemistry, Chemistry Institute, Federal University of Rio Grande do Sul, Av. Bento Goncalves 9500, CEP: 91501-970, Porto Alegre (Brazil)

    2009-08-31

    Oligoesters and polyesters produced from sunflower oil biodiesel were synthesized and characterized. The polymers were obtained through the reaction of fatty acid methyl epoxy esters (EE) with cis-1,2-cyclohexane dicarboxylic anhydride (CH) and triethylamine (TEA) as initiator. Some reactions were conducted by adding small amounts of 1,4-butanediol diglycidyl ether (BDGE). The intermediate products of the synthesis process, including sunflower oil, methyl ester, epoxidised methyl esters, and the oligoesters and polyesters produced, were followed by Fourier Transform Infrared Spectroscopy and {sup 1}H and {sup 13}C nuclear magnetic resonance. The products obtained from the curing of the epoxidised esters with different compositions present similar chemical structures; however, they still depend on the amount of the epoxy resin BDGE that was added in the polymerization reaction. Thermoplastic materials with molecular weights (MW) starting at 3800 g/mol and reaching very high MWs, resulted in cross linked polymers. The thermal behaviour of the different products was investigated using differential scanning calorimetry and thermogravimetric analyses. The presence of BDGE in the structure of the materials increases the bonding capacity, resulting in higher molecular weight materials, which present good thermal stability.

  10. Raman spectroscopic study of cyclohexane at pressures below 1000 MPa

    Science.gov (United States)

    Qiao, Erwei; Zheng, Haifei

    2017-10-01

    At present, the room temperature freezing pressure of cyclohexane is still uncertain, and the phase transition pressure of solid I - solid III is not reliable at ambient temperature. In this work, we have performed a Raman spectroscopic study of cyclohexane in a Moissanite anvil cell at pressures below 1000 MPa at 25 °C, and analyzed the characteristic of Raman brands νs(CH2), νas(CH2) and νb(Ring). Two phase transition pressures 80 MPa and 550 MPa were determined by a quartz pressure gauge, and they are the room temperature freezing pressure of cyclohexane and the phase transition pressure of solid I to solid III, respectively. Furthermore, from the phase diagram of cyclohexane, it is inferred that pressure plays an important role on the stability of cyclohexane as the main constituent of oil, and it can be beneficial to understanding the formation, migration and preservation of petroleum in subterranean rock strata.

  11. Generation of counter ion radical (Br2(•-)) and its reactions in water-in-oil (CTAB or CPB)/n-butanol/cyclohexane/water) microemulsion.

    Science.gov (United States)

    Guleria, Apurav; Singh, Ajay K; Sarkar, Sisir K; Mukherjee, Tulsi; Adhikari, Soumyakanti

    2011-09-15

    Herein we report the generation of counterion radicals and their reactions in quaternary water-in-oil microemulsion. Hydrated electrons in the microemulsion CTAB/H(2)O/n-butanol/cyclohexane have a remarkably short half-life (∼1 μs) and lower yield as compared to that in the pure water system. Electrons are solvated in two regions: one is the water core and other the interface; however, the electrons in the water core have a shorter half-life than those in the interface. The decay of the solvated electrons in the interface is found to be water content dependent and it has been interpreted in terms of increased interfacial fluidity with the increase in water content of the microemulsion. Interestingly another species, dibromide radical anion (Br(2)(•-)) in CTAB and CPB microemulsions have been observed after the electron beam irradiation. Assuming that the extinction coefficient of the radicals is the same as that in the aqueous solution, the yields of the radicals per 100 eV are 0.29 and 0.48 for the Br(2)(•-) radical in CTAB and CPB containing microemulsions (W(0) = 40), respectively, under N(2)O saturated conditions. Further, we intended to study electron transfer reactions, which occur at and through the interface. The reaction of the Br(2)(•-) radical anion with ABTS [2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)] has been studied to generate the ABTS radical in the water core, and further, its reaction has been investigated with the water-insoluble molecule vitamin E (tocopherol) and water-soluble vitamin C (ascorbic acid). In the present study, we were able to show that, even for molecules which are completely insoluble in water, ABTS scavenging assay is possible by pulse radiolysis technique. Furthermore, these results show that it is possible to follow the reaction of the hydrated inorganic radical with solutes dissolved in the organic phase in a microemulsion without use of a phase transfer catalyst.

  12. Anomalous pH dependent stability behavior of surfactant-free nonpolar oil drops in aqueous electrolyte solutions.

    Science.gov (United States)

    Clasohm, Lucy Y; Vakarelski, Ivan U; Dagastine, Raymond R; Chan, Derek Y C; Stevens, Geoffrey W; Grieser, Franz

    2007-08-28

    Recent advances in atomic force microscopy (AFM) force measurement techniques have allowed the direct measurement and theoretical interpretation of the interaction between a liquid droplet and a solid surface or between two liquid droplets. In this study, we investigated the interaction across an aqueous thin film between fluorocarbon (perfluoropentane) droplets, hydrocarbon (tetradecane) droplets, and a droplet and a flat mica surface in the absence of stabilizers. It was found that even at a relatively elevated electrolyte concentration of 0.1 M NaNO3, depending on the solution pH, interactions between two identical droplets or a droplet and a mica surface could be repulsive. A simple theoretical analysis of the magnitude and range of these interactive forces suggests that the DLVO theory cannot explain the observed behavior. The measured force behavior is discussed in the context of ion adsorption, and the arising charging effects, at the bare oil-water interface.

  13. Solar photonitrosation of cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Riffelmann, K.J.; Funken, K.H. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V., Koeln (Germany). Hauptabteilung Energietechnik

    1997-12-31

    The photonitrosation of cyclohexane with nitrosyl chloride (PNC-process) is the central reaction step of photochemical production of {epsilon}-caprolactam. As compared to other, i.e. thermal routes for manufacture of {epsilon}-caprolactam the photochemical synthesis path is the shortest one, economizing the effective use of raw materials by having the highest yield and selectivity. In 1991 the world-wide capacity of {epsilon}-caprolactam was 3.1 mio metric tons/a. Although the photochemical route is most effective as to the materials costs, only 160 000 metric tons (i.e. 5%) were produced via the photochemical path. To provide the light doped high pressure mercury lamps were used. Disadvantages of the conventional PNC-process are strongly corrosive properties of nitrosyl chloride, high power costs and limited lifetime of the lamps. The last two disadvantages may be avoided using sunlight as clean source of photons. A simplified cost study showed that the solar process has a chance to be realized industrially as an alternative to the conventional technique. In this paper results of a project are dealt with aiming at the experimental investigation of the solar PNC-process to demonstrate that cyclohexanone oxime can be produced in a quality as required by the chemical industry. A solar reactor made of titanium was constructed and tested in the high flux solar furnace at the DLR research center, Koeln. Chemical efficiency and selectivity of the reaction, as well as quality of cyclohexanone oxime produced are presented. (orig.)

  14. Variation in Scent Compounds of Oil-Bearing Rose (Rosa damascena Mill.) Produced by Headspace Solid Phase Microextraction, Hydrodistillation and Solvent Extraction

    OpenAIRE

    Sabri Erbaş; Hasan Baydar

    2016-01-01

    In this research, rose oil and rose water were hydro-distilled from the fresh oil-bearing rose flowers (Rosa damascena Mill.) using Clevenger-type apparatus. Rose concretes were extracted from the fresh rose flowers by using non-polar solvents, e.g. diethyl ether, petroleum ether, cyclo-hexane, chloroform and n-hexane, and subsequently by evaporation of the solvents under vacuum. Absolutes were produced from the concretes with ethyl alcohol extraction at -20°C, leaving behind the wax and othe...

  15. Anaerobic degradation of cyclohexane by sulfate-reducing bacteria from hydrocarbon-contaminated marine sediments

    Directory of Open Access Journals (Sweden)

    Ulrike eJaekel

    2015-02-01

    Full Text Available The fate of cyclohexane, often used as a model compound for the biodegradation of cyclic alkanes due to its abundance in crude oils, in anoxic marine sediments has been poorly investigated. In the present study, we obtained an enrichment culture of cyclohexane-degrading sulfate-reducing bacteria from hydrocarbon-contaminated intertidal marine sediments. Microscopic analyses showed an apparent dominance by oval cells of 1.5×0.8 m. Analysis of a 16S rRNA gene library, followed by whole-cell hybridization with group- and sequence-specific oligonucleotide probes showed that these cells belonged to a single phylotype, and were accounting for more than 80% of the total cell number. The dominant phylotype, affiliated with the Desulfosarcina-Desulfococcus cluster of the Deltaproteobacteria, is proposed to be responsible for the degradation of cyclohexane. Quantitative growth experiments showed that cyclohexane degradation was coupled with the stoichiometric reduction of sulfate to sulfide. Substrate response tests corroborated with hybridization with a sequence-specific oligonucleotide probe suggested that the dominant phylotype apparently was able to degrade other cyclic and n-alkanes, including the gaseous alkanes propane and n-butane. Based on GC-MS analyses of culture extracts cyclohexylsuccinate was identified as a metabolite, indicating an activation of cyclohexane by addition to fumarate. Other metabolites detected were 3-cyclohexylpropionate and cyclohexanecarboxylate providing evidence that the overall degradation pathway of cyclohexane under anoxic conditions is analogous to that of n-alkanes.

  16. Methods for recovering a solvent from a fluid volume and methods of removing at least one compound from a nonpolar solvent

    Energy Technology Data Exchange (ETDEWEB)

    Ginosar, Daniel M.; Wendt, Daniel S.; Petkovic, Lucia M.

    2014-06-10

    A method of removing a nonpolar solvent from a fluid volume that includes at least one nonpolar compound, such as a fat, an oil or a triglyceride, is provided. The method comprises contacting a fluid volume with an expanding gas to expand the nonpolar solvent and form a gas-expanded solvent. The gas-expanded solvent may have a substantially reduced density in comparison to the at least one nonpolar compound and/or a substantially reduced capacity to solubilize the nonpolar compound, causing the nonpolar compounds to separate from the gas-expanded nonpolar solvent into a separate liquid phase. The liquid phase including the at least one nonpolar compound may be separated from the gas-expanded solvent using conventional techniques. After separation of the liquid phase, at least one of the temperature and pressure may be reduced to separate the nonpolar solvent from the expanding gas such that the nonpolar solvent may be recovered and reused.

  17. Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

    Science.gov (United States)

    Rustenburg, Ariën S.; Dancer, Justin; Lin, Baiwei; Feng, Jianwen A.; Ortwine, Daniel F.; Mobley, David L.; Chodera, John D.

    2016-11-01

    Small molecule distribution coefficients between immiscible nonaqueuous and aqueous phases—such as cyclohexane and water—measure the degree to which small molecules prefer one phase over another at a given pH. As distribution coefficients capture both thermodynamic effects (the free energy of transfer between phases) and chemical effects (protonation state and tautomer effects in aqueous solution), they provide an exacting test of the thermodynamic and chemical accuracy of physical models without the long correlation times inherent to the prediction of more complex properties of relevance to drug discovery, such as protein-ligand binding affinities. For the SAMPL5 challenge, we carried out a blind prediction exercise in which participants were tasked with the prediction of distribution coefficients to assess its potential as a new route for the evaluation and systematic improvement of predictive physical models. These measurements are typically performed for octanol-water, but we opted to utilize cyclohexane for the nonpolar phase. Cyclohexane was suggested to avoid issues with the high water content and persistent heterogeneous structure of water-saturated octanol phases, since it has greatly reduced water content and a homogeneous liquid structure. Using a modified shake-flask LC-MS/MS protocol, we collected cyclohexane/water distribution coefficients for a set of 53 druglike compounds at pH 7.4. These measurements were used as the basis for the SAMPL5 Distribution Coefficient Challenge, where 18 research groups predicted these measurements before the experimental values reported here were released. In this work, we describe the experimental protocol we utilized for measurement of cyclohexane-water distribution coefficients, report the measured data, propose a new bootstrap-based data analysis procedure to incorporate multiple sources of experimental error, and provide insights to help guide future iterations of this valuable exercise in predictive modeling.

  18. Analyzing Benzene and Cyclohexane Emulsion Droplet Collisions on Ultramicroelectrodes.

    Science.gov (United States)

    Li, Yan; Deng, Haiqiang; Dick, Jeffrey E; Bard, Allen J

    2015-11-03

    We report the collisions of single emulsion oil droplets with extremely low dielectric constants (e.g., benzene, ε of 2.27, or cyclohexane, ε of 2.02) as studied via emulsion droplet reactor (EDR) on an ultramicroelectrode (UME). By applying appropriate potentials to the UME, we observed the electrochemical effects of single-collision signals from the bulk electrolysis of single emulsion droplets. Different hydrophobic redox species (ferrocene, decamethyl-ferrocene, or metalloporphyrin) were trapped in a mixed benzene (or cyclohexane) oil-in-water emulsion using an ionic liquid as the supporting electrolyte and emulsifier. The emulsions were prepared using ultrasonic processing. Spike-like responses were observed in each i-t response due to the complete electrolysis of all of the above-mentioned redox species within the droplet. On the basis of these single-particle collision results, the collision frequency, size distribution, i-t decay behavior of the emulsion droplets, and possible mechanisms are analyzed and discussed. This work demonstrated that bulk electrolysis can be achieved in a few seconds in these attoliter reactors, suggesting many applications, such as analysis and electrosynthesis in low dielectric constant solvents, which have a much broader potential window.

  19. Selective oxidation of cyclohexane on a novel catalyst Mg-Cu/SBA-15 by molecular oxygen.

    Science.gov (United States)

    Duan, Xiaogang; Liu, Weimin; Yue, Lumin; Fu, Wei; Ha, Minh Ngoc; Li, Jun; Lu, Guanzhong

    2015-10-21

    The novel catalysts xMg-2.3Cu/SBA-15 with copper and magnesium oxide co-supported on mesoporous silica were synthesized by an impregnation method. The newly synthesized catalysts were characterized using a series of techniques such as BET, XRD, H2-TPR, UV-vis, XPS, EDS and TEM. The catalytic performance was evaluated by using selective oxidation of cyclohexane with molecular oxygen as the oxidant in a solvent free system. The incorporation of magnesium improved the dispersion of copper oxide and prevented the deep oxidation of cyclohexanol and cyclohexanone. The selectivity of K/A oil was up to 99.3% with 12% conversion of cyclohexane over the 1.2Mg-2.3Cu/SBA-15 catalyst. To our knowledge, this is the best result for the heterogeneous oxidation of cyclohexane by O2.

  20. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Silke, E J; Pitz, W J; Westbrook, C K; Ribaucour, M

    2006-11-10

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O{sub 2} through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO{sub 2} from RO{sub 2} is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O{sub 2}QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.

  1. Solvent systems with n-hexane and/or cyclohexane in countercurrent chromatography--Physico-chemical parameters and their impact on the separation of alkyl hydroxybenzoates.

    Science.gov (United States)

    Englert, Michael; Vetter, Walter

    2014-05-16

    Countercurrent chromatography (CCC) is an efficient preparative separation technique based on the liquid-liquid distribution of compounds between two phases of a biphasic liquid system. The crucial parameter for the successful application is the selection of the solvent system. Especially for nonpolar analytes the selection options are limited. On the search for a suitable solvent system for the separation of an alkyl hydroxybenzoate homologous series, we noted that the substitution of cyclohexane with n-hexane was accompanied with unexpected differences in partitioning coefficients of the individual analytes. In this study, we investigated the influence of the subsequent substitution of n-hexane with cyclohexane in the n-hexane/cyclohexane/tert-butylmethylether/methanol/water solvent system family. Exact phase compositions and polarity, viscosity and density differences were determined to characterize the different mixtures containing n-hexane and/or cyclohexane. Findings were confirmed by performing CCC separations with different mixtures, which led to baseline resolution for positional isomers when increasing the amount of cyclohexane while the resolution between two pairs of structural isomers decreased. With the new methodology described, structurally similar compounds could be resolved by choosing a certain ratio of n-hexane to cyclohexane.

  2. Thermomolecular Orientation of Nonpolar Fluids

    NARCIS (Netherlands)

    Römer, F.; Bresme, F.; Muscatello, J.; Bedeaux, D.; Rubi, J.M.

    2012-01-01

    We investigate the response of molecular fluids to temperature gradients. Using nonequilibrium molecular dynamics computer simulations we show that nonpolar diatomic fluids adopt a preferred orientation as a response to a temperature gradient. We find that the magnitude of this thermomolecular orien

  3. On understanding microemulsions : I. Interfacial tensions and adsorptions of SDS and pentanol at the cyclohexane/water interface

    NARCIS (Netherlands)

    Verhoeckx, G.J.; Bruyn, P.L. de; Overbeek, J.Th.G.

    1987-01-01

    We measured interfacial tensions using the spinning drop technique in two-phase oil/water (O/W) systems containing sodium dodecyl sulfate (SDS), n-pentanol, NaCl, cyclohexane, and water. The systems contained only small amounts of SDS (mostly

  4. Thermomolecular orientation of nonpolar fluids.

    Science.gov (United States)

    Römer, Frank; Bresme, Fernando; Muscatello, Jordan; Bedeaux, Dick; Rubí, J Miguel

    2012-03-09

    We investigate the response of molecular fluids to temperature gradients. Using nonequilibrium molecular dynamics computer simulations we show that nonpolar diatomic fluids adopt a preferred orientation as a response to a temperature gradient. We find that the magnitude of this thermomolecular orientation effect is proportional to the strength of the temperature gradient and the degree of molecular anisotropy, as defined by the different size or mass of the molecular atomic sites. We show that the preferred orientation of the molecules follows the same trends observed in the Soret effect of binary mixtures. We argue this is a general effect that should be observed in a wide range of length scales.

  5. Colloidosomes formed by nonpolar/polar/nonpolar nanoball amphiphiles

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hung-Yu; Sheng, Yu-Jane, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical Engineering, National Taiwan University, Taipei 106, Taiwan (China); Tu, Sheng-Hung [Department of Chemical and Materials Engineering, National Central University, Jhongli 320, Taiwan (China); Tsao, Heng-Kwong, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical and Materials Engineering and Department of Physics, National Central University, Jhongli 320, Taiwan (China)

    2014-08-07

    Fullerene-based amphiphiles are able to form bilayer vesicles in aqueous solution. In this study, the self-assembly behavior of polymer-tethered nanoballs (NBs) with nonpolar/polar/nonpolar (n-p-n{sup ′}) motif in a selective solvent is investigated by dissipative particle dynamics. A model NB bears two hydrophobic polymeric arms (n{sup ′}-part) tethered on an extremely hydrophobic NB (n-part) with hydrophilic patch (p-part) patterned on its surface. Dependent on the hydrophobicity and length of tethered arms, three types of aggregates are exhibited, including NB vesicle, core-shell micelle, and segmented-worm. NB vesicles are developed for a wide range of hydrophobic arm lengths. The presence of tethered arms perturbs the bilayer structure formed by NBs. The structural properties including the order parameter, membrane thickness, and area density of the inner leaflet decrease with increasing the arm length. These results indicate that for NBs with longer arms, the extent of interdigitation in the membrane rises so that the overcrowded arms in the inner corona are relaxed. The transport and mechanical properties are evaluated as well. As the arm length grows, the permeability increases significantly because the steric bulk of tethered arms loosens the packing of NBs. By contrast, the membrane tension decreases owing to the reduction of NB/solvent contacts by the polymer corona. Although fusion can reduce membrane tension, NB vesicles show strong resistance to fusion. Moreover, the size-dependent behavior observed in small liposomes is not significant for NB vesicles due to isotropic geometry of NB. Our simulation results are consistent with the experimental findings.

  6. Colloidosomes formed by nonpolar/polar/nonpolar nanoball amphiphiles.

    Science.gov (United States)

    Chang, Hung-Yu; Tu, Sheng-Hung; Sheng, Yu-Jane; Tsao, Heng-Kwong

    2014-08-01

    Fullerene-based amphiphiles are able to form bilayer vesicles in aqueous solution. In this study, the self-assembly behavior of polymer-tethered nanoballs (NBs) with nonpolar/polar/nonpolar (n-p-n') motif in a selective solvent is investigated by dissipative particle dynamics. A model NB bears two hydrophobic polymeric arms (n'-part) tethered on an extremely hydrophobic NB (n-part) with hydrophilic patch (p-part) patterned on its surface. Dependent on the hydrophobicity and length of tethered arms, three types of aggregates are exhibited, including NB vesicle, core-shell micelle, and segmented-worm. NB vesicles are developed for a wide range of hydrophobic arm lengths. The presence of tethered arms perturbs the bilayer structure formed by NBs. The structural properties including the order parameter, membrane thickness, and area density of the inner leaflet decrease with increasing the arm length. These results indicate that for NBs with longer arms, the extent of interdigitation in the membrane rises so that the overcrowded arms in the inner corona are relaxed. The transport and mechanical properties are evaluated as well. As the arm length grows, the permeability increases significantly because the steric bulk of tethered arms loosens the packing of NBs. By contrast, the membrane tension decreases owing to the reduction of NB/solvent contacts by the polymer corona. Although fusion can reduce membrane tension, NB vesicles show strong resistance to fusion. Moreover, the size-dependent behavior observed in small liposomes is not significant for NB vesicles due to isotropic geometry of NB. Our simulation results are consistent with the experimental findings.

  7. Far infrared studies of solid cyclohexane

    Science.gov (United States)

    Sciesinska, E.; Sciesinski, J.; Wasiutynski, T.; Godlewska, M.; Wurflinger, A.

    1992-03-01

    Far infrared spectra of cyclohexane C 6H 12 in the frequency range of 100 - 650 cm -1 and C 6D 12 in the range of 50 - 650 cm -1 for phases I and II were measured at various temperatures. In the spectra some Raman active internal modes are observed. Four crystal multiplet components of the ν 16(e u) mode for phase II are resolved and assigned using the oriented gas model. Temperature dependence of the ν 32(e u) and ν 16(a 2u) vibrational excitons for phase II is discussed.

  8. PREPARATION OF MULTIFUNCTIONAL ORGANOLITHIUM INITIATOR IN CYCLOHEXANE SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Ming Yao; Hai-yan Zhang; Xing-ying Zhang; Shu-he Zhao

    2011-01-01

    Multifunctional organolithium initiator was prepared in cyclohexane solvent. The process started with adding the cyclohexane solution of butadiene to naphthalene-lithium in batches to produce butadiene oligomer dilithium with 4-8 butadiene repeating units. In the first feeding, the maximum loading of cyclohexane and the minimum concentration of butadiene cyclohexane solution must be controlled under Vcyclohexane ≤ 1.33 VTHnF and p ≥ 40.6cN. Then, SnC14 was added and eventually the multifunctional organolithium initiator containing Sn atom was synthesized through coupling reaction.Experiment results showed that adding the cyclohexane solution in batches was effective in overcoming some difficulties,such as insolubility of naphthalene-lithium in cyclohexane, low efficiency of naphthalene-lithium in initiating butadiene. In practice, benzene can be replaced by cyclohexane completely, which can not only reduce environmental pollution from benzene, but also overcome the difficulty of solvent recovery caused by similar boiling point between benzene and cyclohexane. Prepared with multifunctional organolithium containing Sn atom as initiator, the star-shaped solution polymerized styrene-butadiene rubber (star S-SBR) with better vulcanization performances, lower rolling resistance and higher wet-skid resistance was obtained.

  9. Toward Consistent Terminology for Cyclohexane Conformers in Introductory Organic Chemistry

    Science.gov (United States)

    Nelson, Donna J.; Brammer, Christopher N.

    2011-01-01

    Recommended changes in use of cyclohexane conformers and their nomenclature will remedy inconsistencies in cyclohexane conformers and their nomenclature that exist across currently used organic chemistry textbooks. These inconsistencies prompted this logical analysis and the resulting recommendations. Recommended conformer names are "chair",…

  10. Measurement and Modeling of Carbon Dioxide Solubility in Polar and Nonpolar Solvent

    Directory of Open Access Journals (Sweden)

    Hojatollah Ahmadi

    2012-08-01

    Full Text Available The solubility of gases is an important issue in the industries. Carbon Dioxide Through gas transmission line exists as sour gas therefore it is eliminated by solvent in industry. Carbone Dioxide is nonpolar molecule that has lower solubility in liquid solvent. In this study the solubility of carbon dioxide in some polar and nonpolar solvents (include Acetone, Acetic Acid, Benzene, Carbon Tetra Chloride, Chlorobenzene, Chloroform, Cyclo-hexane, Di-Methyl Formamid, Ethanol, Ethyl acetate, Methanol, NButanol, N-Heptane, N-Hexane at atmospheric pressure and temperatures range from 5-35ºC was determined. A laboratory unit was made for this experience and the solubility of CO2 was reported. The solubility of carbon dioxide in these solvent was low due to unreactivity and nonpolarity nature of these material. The solubility of CO2 in Ethyl Acetate and Methanol was highest and lowest respectively. This investigation showed that the solvent with carbonyl group have higher activity than other.

  11. Non-polar Solvent Microwave-Assisted Extraction of Volatile Constituents from Dried Zingiber Officinale Rosc.

    Institute of Scientific and Technical Information of China (English)

    YU Yong; WANG Zi-Ming; WANG Yu-Tang; LI Tie-Chun; CHENG Jian-Hua; LIU Zhong-Ying; ZHANG Han-Qi

    2007-01-01

    A new method, non-polar solvent microwave-assisted extraction (NPSMAE), was applied to the extraction of essential oil from Zingiber officinale Rosc. in closed-vessel system. By adding microwave absorption mediumcarbonyl iron powders (CIP) into extraction system, the essential oil was extracted by the non-polar solvent (ether)which can be heated by CIP. The constituents of essential oil obtained by NPSMAE were comparable with those obtained by hydrodistillation (HD) by GC-MS analysis, which indicates that NPSMAE is a feasible way to extract essential oil from dried plant materials. The NPSMAE took much less extraction time (5 min) than HD (180 min),and its extraction efficiency was much higher than that of conventional polar solvent microwave-assisted extraction (PSMAE) and mixed solvent microwave-assisted extraction (MSMAE). It can be a good alternative for the extraction of volatile constituents from dried plant samples.

  12. Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set

    Science.gov (United States)

    Klamt, Andreas; Eckert, Frank; Reinisch, Jens; Wichmann, Karin

    2016-11-01

    The Conductor-Like-Screening-Model for Real Solvents (COSMO-RS) method has been used for the blind prediction of cyclohexane-water distribution coefficients logD within the SAMPL challenge. The partition coefficient logP of the neutral species was calculated first and then corrected for dissociation or protonation, as appropriate for acidic or basic solutes, to obtain the cyclohexane-water logD. Using the latest version of the COSMO therm implementation, this approach in combination with a rigorous conformational sampling yielded a predictive accuracy of 2.11 log units (RMSD) for the 53 compounds of the blind prediction dataset. By that it was the most accurate of all contest submissions and it also achieved the best rank order. The RMSD mainly arises from a group of outliers in the negative logD range, which at least partly may arise from dimerization or other experimental problems coming up for very polar molecules in very non-polar solvents.

  13. Birefringent non-polarizing thin film design

    Institute of Scientific and Technical Information of China (English)

    QI Hongji; HONG Ruijin; HE Hongbo; SHAO Jianda; FAN Zhengxiu

    2005-01-01

    In this paper, 2×2 characteristic matrices of uniaxially anisotropic thin film for extraordinary and ordinary wave are deduced at oblique incidence. Furthermore, the reflectance and transmittance of thin films are calculated separately for two polarizations, which provide a new concept for designing non-polarizing thin films at oblique incidence. Besides, using the multilayer birefringent thin films, non-polarizing designs, such as beam splitter thin film at single wavelength, edge filter and antireflection thin film over visible spectral region are obtained at oblique incidence.

  14. Observation of water dangling OH bonds around dissolved nonpolar groups.

    Science.gov (United States)

    Perera, P N; Fega, K R; Lawrence, C; Sundstrom, E J; Tomlinson-Phillips, J; Ben-Amotz, Dor

    2009-07-28

    We report the experimental observation of water dangling OH bonds in the hydration shells around dissolved nonpolar (hydrocarbon) groups. The results are obtained by combining vibrational (Raman) spectroscopy and multivariate curve resolution (MCR), to reveal a high-frequency OH stretch peak arising from the hydration shell around nonpolar (hydrocarbon) solute groups. The frequency and width of the observed peak is similar to that of dangling OH bonds previously detected at macroscopic air-water and oil-water interfaces. The area of the observed peak is used to quantify the number of water dangling bonds around hydrocarbon chains of different length. Molecular dynamics simulation of the vibrational spectra of water molecules in the hydration shell around neopentane and benzene reveals high-frequency OH features that closely resemble the experimentally observed dangling OH vibrational bands around neopentyl alcohol and benzyl alcohol. The red-shift of approximately 50 cm(-1) induced by aromatic solutes is similar to that previously observed upon formation of a pi-H bond (in low-temperature benzene-water clusters).

  15. Solubilization of benzene and cyclohexane by sodium deoxycholate micelles

    Energy Technology Data Exchange (ETDEWEB)

    Christian, S.D.; Smith, L.S.; Bushong, D.S.; Tucker, E.E.

    1982-10-01

    Vapor pressure-solubility data were obtained for the aqueous systems benzene-sodium deoxycholate and cyclohexane- sodium deoxycholate at 25/sup 0/C. The results are consistent with a mass action model similar to the BET equation. Equilibrium constants are inferred to characterize interactions of hydrocarbons with solubilization sites assumed to consist of units of four deoxycholate anions. Although addition of sodium chloride increases the middle aggregation number, solubilization results are affected very little by variation in salt concentration. When pure liquid hydrocarbon standard states are employed, solubilization results for benzene and cyclohexane (at varying salt concentrations) are quite similar. 26 references.

  16. Tuning of Activated Carbon for Solvent-Free Oxidation of Cyclohexane

    Directory of Open Access Journals (Sweden)

    Mohammad Sadiq

    2017-01-01

    Full Text Available Activated carbon (AC was prepared from carbonization of phosphoric acid soaked peanut shell at 380°C under inert atmosphere followed by activation with hydrogen peroxide. The AC was characterized by SEM, EDX, FTIR, TGA, and BET surface area and pore size analyzer. The potential of AC as a catalyst for solvent-free oxidation of cyclohexane to cyclohexanol and cyclohexanone (the mixture is known as KA oil in the presence of molecular oxygen at moderate temperature was investigated in a self-designed double-walled three-necked batch reactor. The effect of different reaction parameters/additive was optimized. The maximum productivity value (2.14 mmolg−1 h−1, without base, and 4.85 mmolg−1 h−1, with 0.2 mmol NaOH of the desired product was achieved under optimal reaction parameters: vol 12.5 mL, cat 0.4 g, time 14 h, oxygen flow 40 mL/min (pO2 760 Torr, stirring 1100 rpm, and temp 75°C. The AC shows recyclability for multiple runs without any significant loss in activity. Thus, the AC can be an efficient catalyst, due to low cost, ease of synthesis, easy recovery, nonleaching, and recyclability for multiple uses for the solvent-free oxidation of cyclohexane.

  17. Extraction of rubidium by t-BAMBP in cyclohexane

    Institute of Scientific and Technical Information of China (English)

    Jiawei Wang; Dehua Che; Wei Qin

    2015-01-01

    4-Tert-butyl-2-(α-methylbenzyl) phenol (t-BAMBP) was used in cyclohexane in the extraction of rubidium from brine sources containing lithium. The effect of t-BAMBP concentration and aqueous phase pH on the rubidium and lithium extraction equilibrium was studied. t-BAMBP/cyclohexane was efficient and selective for rubidium extraction with optimal operating conditions being pH of 13.0 and initial t-BAMBP concentration of 1.0 mol·L−1. The stoichiometry of the complex of t-BAMBP with rubidium is 4:1. The apparent extraction equilibrium constant of rubidium was calculated by fitting the experimental data.

  18. (±-Cyclohexane-1,2-diyl bis(4-nitrobenzoate

    Directory of Open Access Journals (Sweden)

    David Barker

    2008-11-01

    Full Text Available The crystal structure of the title compound, C20H18N2O8, has been investigated to establish the relative stereochemistry between the ester groups. The cyclohexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The molecules assemble in the crystal as chains along the c axis via C—H...π interactions between the cyclohexane ring and a pair of nitrophenyl rings of the neighbouring molecule. Also observed are π–π stacking interactions between the nitrophenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

  19. Separation of Benzene and Cyclohexane by Batch Extractive Distillation

    Institute of Scientific and Technical Information of China (English)

    XU Jiao; ZHANG Weijiang; GUI Xia

    2007-01-01

    Azeotropic liquid mixture cannot be separated by conventional distillation. But extractive distillation or combination of the two can be valid for them. An experiment to separate benzene and cyclohexane by batch extractive distillation was carried out with N, N-dimethylformide (DMF), dimethyl sulfoxide (DMSO) and their mixture as extractive solvent. The effect of the operation parameterssuch as solvent flow rate and reflux ratio on the separation was studied under the same operating conditions. The results show that the separation effect was improved with the increase of solvent flow rate and the reflux ratio; all the three extractive solvents can separate benzene and cyclohexane, with DMF being the most efficient one, the mixture the second, and DMSO the least. In the experiment the best operation conditions are with DMF as extractive solvent, the solvent flow rate being 12.33 mL/min, and the reflux ratio being 6. As a result, we can get cyclohexane from the top of tower with the average product content being 86.98%, and its recovering ratio being 83.10%.

  20. A Simple Method for Estimation of Dielectric Constants and Polarizabilities of Nonpolar and Slightly Polar Hydrocarbons

    Science.gov (United States)

    Panuganti, Sai R.; Wang, Fei; Chapman, Walter G.; Vargas, Francisco M.

    2016-07-01

    Many of the liquids that are used as electrical insulators are nonpolar or slightly polar petroleum-derived hydrocarbons, such as the ones used for cable and/or transformer oils. In this work, semi-empirical expressions with no adjustable parameters for the dielectric constant and the polarizability of nonpolar and slightly polar hydrocarbons and their mixtures are proposed and validated. The expressions that were derived using the Vargas-Chapman One-Third rule require the mass density and the molecular weight of the substance of interest. The equations were successfully tested for various hydrocarbons and polymers with dipole moments eliminate the need of extensive experimental data and require less input parameters compared to existing correlations.

  1. Limit of Superheat of Polystyrene-Cyclohexane Solutions: Theory

    Directory of Open Access Journals (Sweden)

    John Howland Jennings

    2012-06-01

    Full Text Available A theory for the surface tension of polymer solutions is used along with classical nucleation theory to predict the temperature rise above the solvent limit of superheat due to addition of polymer.  Polystyrene, of 2000 and 4000 molecular weight, was added to cyclohexane and it produced a linear rise in the superheat to an extent that depends upon both molecular weight and concentration.  The theory is used in the athermal case (dT = 0 to give the additional temperature rise with respect to weight fraction.

  2. EDITORIAL: Non-polar and semipolar nitride semiconductors Non-polar and semipolar nitride semiconductors

    Science.gov (United States)

    Han, Jung; Kneissl, Michael

    2012-02-01

    Throughout the history of group-III-nitride materials and devices, scientific breakthroughs and technological advances have gone hand-in-hand. In the late 1980s and early 1990s, the discovery of the nucleation of smooth (0001) GaN films on c-plane sapphire and the activation of p-dopants in GaN led very quickly to the realization of high-brightness blue and green LEDs, followed by the first demonstration of GaN-based violet laser diodes in the mid 1990s. Today, blue InGaN LEDs boast record external quantum efficiencies exceeding 80% and the emission wavelength of the InGaN-based laser diode has been pushed into the green spectral range. Although these tremenduous advances have already spurred multi-billion dollar industries, there are still a number of scientific questions and technological issues that are unanswered. One key challenge is related to the polar nature of the III-nitride wurtzite crystal. Until a decade ago all research activities had almost exclusively concentrated on (0001)-oriented polar GaN layers and heterostructures. Although the device characteristics seem excellent, the strong polarization fields at GaN heterointerfaces can lead to a significant deterioration of the device performance. Triggered by the first demonstration non-polar GaN quantum wells grown on LiAlO2 by Waltereit and colleagues in 2000, impressive advances in the area of non-polar and semipolar nitride semiconductors and devices have been achieved. Today, a large variety of heterostructures free of polarization fields and exhibiting exceptional electronic and optical properties have been demonstrated, and the fundamental understanding of polar, semipolar and non-polar nitrides has made significant leaps forward. The contributions in this Semiconductor Science and Technology special issue on non-polar and semipolar nitride semiconductors provide an impressive and up-to-date cross-section of all areas of research and device physics in this field. The articles cover a wide range of

  3. Oxidation of cyclohexane catalyzed by metal-ion-exchanged zeolites.

    Science.gov (United States)

    Sökmen, Ilkay; Sevin, Fatma

    2003-08-01

    The ion-exchange rates and capacities of the zeolite NaY for the Cu(II), Co(II), and Pb(II) metal ions were investigated. Ion-exchange equilibria were achieved in approximately 72 h for all the metal ions. The maximum ion exchange of metal ions into the zeolite was found to be 120 mg Pb(II), 110 mg Cu(II), and 100 mg Co(II) per gram of zeolite NaY. It is observed that the exchange capacity of a zeolite varies with the exchanged metal ion and the amount of metal ions exchanged into zeolite decreases in the sequence Pb(II) > Cu(II) > Co(II). Application of the metal-ion-exchanged zeolites in oxidation of cyclohexane in liquid phase with visible light was examined and it is observed that the order of reactivity of the zeolites for the conversion of cyclohexane to cyclohexanone and cyclohexanol is CuY > CoY > PbY. It is found that conversion increases by increase of the empty active sites of a zeolite and the formation of cyclohexanol is favored initially, but the cyclohexanol is subsequently converted to cyclohexanone.

  4. Cyclohexane, a potential drug of abuse with pernicious effects for the brain

    Directory of Open Access Journals (Sweden)

    Oscar eGonzalez-Perez

    2016-01-01

    Full Text Available Cyclohexane is a volatile solvent used as a harmless substitute for dangerous organic solvents in several products, such as paint thinners, gasoline and adhesives. Many of these products are used as drugs of abuse and can severely damage neural tissue and impair neurological functions. However, there is very little information on the effects of cyclohexane on the brain. In humans, cyclohexane produces headaches, sleepiness, dizziness, limb weakness, motor changes and verbal memory impairment. Recent studies in mice have demonstrated behavioral alterations, reactive gliosis, microglial reactivity and oxidative stress in the brains of cyclohexane-exposed animals. This indicates that cyclohexane may represent a potential problem for public health. Therefore, studies are needed to clarify the neurobiological effects of this volatile compound, including the cellular and molecular mechanisms of neurotoxicity, and to minimize the human health risk posed by the intentional or accidental inhalation of this potential drug of abuse.

  5. Adsorption, Diffusion and Thermal Desorption Features of Cyclopentane and Cyclohexane in Silicalite-1

    Institute of Scientific and Technical Information of China (English)

    DUAN, Lin-Hai; SONG, Li-Juan; ZHANG, Xiao-Tong; TANG, Ke; DAI, Zhen-Hua; SUN, Zhao-Lin

    2006-01-01

    Adsorption, diffusion and thermal desorption features of cyclopentane and cyclohexane in silicalite-1 have been investigated using the intelligent gravimetric technique. Both the saturation adsorption loadings and diffusion coefficient of cyclopentane were greater than those of cyclohexane. The diffusivity of cyclopentane was about one order of magnitude greater than that of cyclohexane at the same temperature and initial loading. For cyclopentane, there was only one kind of desorption process at adsorption loadings lower than 4 muc (molecule per unit cell), but two desorption processes appeared at the adsorption loadings higher than 4 muc. While for cyclohexane, one desorption process was found in the whole range of loadings. Both thermal desorption peaks of cyclopentane and cyclohexane moved to higher temperature region with increasing loading.

  6. Three-Phase Behavior in a Water/C(12)EO(8)/Propanol/Cyclohexane/Heptane System.

    Science.gov (United States)

    Yamaguchi

    1999-10-01

    We studied the three-phase behavior and dissolution behavior of propanol (C(3)OH) in a water/C(12)EO(8)/C(3)OH/cyclohexane (c-C(6))/heptane (C(7)) system at 35 and 45 degrees C. Without C(12)EO(8), a three-phase region (IIIa) consisting of C(3)OH, aqueous (W), and oleic (O) phases exists between R(oil) (c-C(6)/c-C(6) + C(7)) = 0.2 and 0.3 (w/w) above 35 wt% C(3)OH. The C(3)OH phase originates from the W phase and becomes identical to the O phase with increasing R(oil). In the presence of C(12)EO(8), the three-phase region expands below 20 wt% C(3)OH. The surfactant phase behaves in two ways according to the role of C(3)OH. When R(oil) 0.3, a microemulsion (D) phase changes from water-rich to oil-rich in a chiral three-phase body. Most C(3)OH added acts as a lipophilic cosurfactant at R(oil) = 1. The two types of three-phase behavior are transformed into each other via region IIIa. C(3)OH cooperatively acts with C(12)EO(8) and a higher-order phase is formed. Copyright 1999 Academic Press.

  7. Energetics of cyclohexane isomers: a density-functional study

    CERN Document Server

    Lee, C Y

    1999-01-01

    The binding energies and the geometric structures of conformational isomers of cyclohexane (C sub 6 H sub 1 sub 2) are determined from the density-functional theory combined with ultrasoft pseudopotentials and gradient-corrected nonlocal exchange-correlation functionals. The ground-state chair conformation is found to have a binding energy of 99.457 eV, and the metastable twist-boat conformation has 99.161 eV. The chair conformation converts to another conformation via a half-chair conformation with an energy barrier of 0.507 eV whereas the twist-boat conformation converts to another twist-boat conformation via a boat conformation with a much smaller energy barrier of 0.015 eV.

  8. Adsorption of benzene, cyclohexane and hexane on ordered mesoporous carbon.

    Science.gov (United States)

    Wang, Gang; Dou, Baojuan; Zhang, Zhongshen; Wang, Junhui; Liu, Haier; Hao, Zhengping

    2015-04-01

    Ordered mesoporous carbon (OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound (VOC) disposal. Benzene, cyclohexane and hexane were selected as typical adsorbates due to their different molecular sizes and extensive utilization in industrial processes. In spite of their structural differences, high adsorption amounts were achieved for all three adsorbates, as the pore size of OMC is large enough for the access of these VOCs. In addition, the unusual bimodal-like pore size distribution gives the adsorbates a higher diffusion rate compared with conventional adsorbents such as activated carbon and carbon molecular sieve. Kinetic analysis suggests that the adsorption barriers mainly originated from the difficulty of VOC vapor molecules entering the pore channels of adsorbents. Therefore, its superior adsorption ability toward VOCs, together with a high diffusion rate, makes the ordered mesoporous carbon a promising potential adsorbent for VOC disposal.

  9. The solution properties of mefenamic acid and a closely related analogue are indistinguishable in polar solvents but significantly different in nonpolar environments.

    Science.gov (United States)

    Lee, Eun Hee; Byrn, Stephen R; Pinal, Rodolfo

    2012-12-01

    This study investigates the cosolute effects of mefenamic acid (XA) and flufenamic acid (FA). These compounds serve as model of a drug discovery lead compound and a structural analogue. The activity coefficients of XA and FA in different solvents were obtained from solubility measurements at 25°C. The effect of varying concentrations of FA on the solubility of XA in four different solvents, including toluene, cyclohexane, ethanol, and an ethanol-water mixture (80:20, v/v), was investigated. The magnitude of change in the activity coefficient of XA in the presence of FA in different solvents was used to elucidate the thermodynamic effect of FA on the solubility of XA. Nuclear magnetic resonance and Fourier-transform infrared spectroscopy were used to obtain molecular level information about the interactions of the compounds in solution. The presence of FA increases XA solubility in toluene and in cyclohexane as much as seven-fold. Conversely, in ethanol and the ethanol-water mixture, similar levels of FA have essentially no effect on the solubility of XA. The solution properties investigated show that despite the close structural similarity between XA and FA, the two compounds are strongly distinguishable in nonpolar solvents. Conversely, the solution properties of the same two solutes are indistinguishable in polar solvents. A solubilization model based on solute-cosolute interactions is presented.

  10. Effects of Chlorinated Paraffin and ZDDP Concentrations on Boundary Lubrication Properties of Mineral and Soybean Oils

    Science.gov (United States)

    The effect of chlorinated paraffin (CP) and zinc di-ethylhexyl dithio phosphate (ZDDP) concentration in polar and non-polar base fluids on boundary lubrication properties was investigated. The non-polar fluid was a solvent refined low sulfur heavy paraffinic mineral oil (150N oil); and the polar fl...

  11. Studies of Cyclohexane Catalytic Oxidation Processes over Titanium Silicate-1 Zeolite

    Institute of Scientific and Technical Information of China (English)

    Cheng Shibiao; Wu Wei; Sun Bin; Min Enze

    2003-01-01

    The catalytic oxidation processes for cyclohexane/H2O2/acetone system over the TS-1 zeolite was studied. Study results have revealed that the cyclohexane conversion was 27% after the reaction proceeded at 100C for 2 hours at a cyclohexane/H2O2 molar ratio of 0.8. The cyclohexanol/cyclohexanone molar ratio was 1.3along with a certain amount of organic acids and esters, the formation of which was closely associated with the oxidation of reaction solvent and deep oxidation of cyclohexanone and cyclohexanol contained in the reaction products. With respect to the catalytic oxidation of cyclohexane/H2O2 system the selection of appropriate solvent was critically important.

  12. Structure and mobility of cyclohexane as a solvent for Trans-Polyisoprene

    OpenAIRE

    Faller, Roland

    2002-01-01

    Solutions of {\\it trans}$-$polyisoprene in cyclohexane are investigated in atomistic detail at different compositions at two different temperatures. We investigate the influence of polymer concentration on the dynamics of the solvent molecules and the structure of the solvation shell. The double bonds along the polymer backbone are preferentially approached by the solvent molecules. The mobility of cyclohexane molecules decreases with increasing polymer concentration at ambient conditions. Th...

  13. Crystal structure of a ring-cleaving cyclohexane-1,2-dione hydrolase, a novel member of the thiamine diphosphate enzyme family.

    Science.gov (United States)

    Steinbach, Alma; Fraas, Sonja; Harder, Jens; Warkentin, Eberhard; Kroneck, Peter M H; Ermler, Ulrich

    2012-04-01

    The thiamine diphosphate (ThDP) dependent flavoenzyme cyclohexane-1,2-dione hydrolase (CDH) (EC 3.7.1.11) catalyses a key step of a novel anaerobic degradation pathway for alicyclic alcohols by converting cyclohexane-1,2-dione (CDO) to 6-oxohexanoate and further to adipate using NAD(+) as electron acceptor. To gain insights into the molecular basis of these reactions CDH from denitrifying anaerobe Azoarcus sp. strain 22Lin was structurally characterized at 1.26 Å resolution. Notably, the active site funnel is rearranged in an unprecedented manner providing the structural basis for the specific binding and cleavage of an alicyclic compound. Crucial features include a decreased and displaced funnel entrance, a semi-circularly shaped loop segment preceding the C-terminal arm and the attachment of the C-terminal arm to other subunits of the CDH tetramer. Its structural scaffold and the ThDP activation is related to that observed for other members of the ThDP enzyme family. The selective binding of the competitive inhibitor 2-methyl-2,4-pentane-diol (MPD) to the open funnel of CDH reveals an asymmetry of the two active sites found also in the dimer of several other ThDP dependent enzymes. The substrate binding site is characterized by polar and non-polar moieties reflected in the structures of MPD and CDO and by three prominent histidine residues (His28, His31 and His76) that most probably play a crucial role in substrate activation. The NAD(+) dependent oxidation of 6-oxohexanoate remains enigmatic as the redox-active cofactor FAD seems not to participate in catalysis, and no obvious NAD(+) binding site is found. Based on the structural data both reactions are discussed.

  14. High-pressure studies of cyclohexane to 40 GPa.

    Science.gov (United States)

    Pravica, Michael; Shen, Yongrong; Quine, Zachary; Romano, Edward; Hartnett, David

    2007-04-26

    We present data from two room temperature synchrotron X-ray powder diffraction studies of cyclohexane up to approximately 40 and approximately 20 GPa. In the first experiment, pressure cycling was employed wherein pressure was varied up to approximately 16 GPa, reduced to 3.5 GPa, and then raised again to 40 GPa. Initially, the sample was found to be in the monoclinic phase (P12(1)/n1) at approximately 8.4 GPa. Beyond this pressure, the sample adopted triclinic unit cell symmetry (P1) which remained so even when the pressure was reduced to 3.5 GPa, indicating significant hysteresis and metastability. In the second experiment, pressure was more slowly varied, and the monoclinic unit cell structure (P12(1)/n1) was observed at lower pressures up to approximately 7 GPa, above which a phase transformation into the P1 triclinic unit cell symmetry occurred. Thus, the pressure onset of the triclinic phase may be dependent upon the pressurizing conditions. High-pressure Raman data that further emphasize a phase transition (probably into phase VI) around 10 GPa are also presented. We also have further evidence for a phase VII, which is probably triclinic.

  15. Long-Wavelength Phonon Scattering in Nonpolar Semiconductors

    DEFF Research Database (Denmark)

    Lawætz, Peter

    1969-01-01

    The long-wavelength acoustic- and optical-phonon scattering of carriers in nonpolar semiconductors is considered from a general point of view. The deformation-potential approximation is defined and it is shown that long-range electrostatic forces give a nontrivial correction to the scattering. Fo...

  16. The role of solvent cohesion in nonpolar solvation

    NARCIS (Netherlands)

    Otto, Sijbren

    2013-01-01

    Understanding hydrophobic interactions requires a molecular-level picture of how water molecules adjust to the introduction of a nonpolar solute. New insights into the latter process are derived from the observation that the Gibbs energies of solvation of the noble gases and linear alkanes by a wide

  17. Lipophilic polyelectrolyte gels as super-absorbent polymers for nonpolar organic solvents.

    Science.gov (United States)

    Ono, Toshikazu; Sugimoto, Takahiro; Shinkai, Seiji; Sada, Kazuki

    2007-06-01

    Polyelectrolyte gels that are known as super-absorbent polymers swell and absorb water up to several hundred times their dried weights and have become ubiquitous and indispensable materials in many applications. Their superior swelling abilities originate from the electrostatic repulsion between the charges on the polymer chains and the osmotic imbalance between the interior and exterior of the gels. However, no super-absorbent polymers for volatile organic compounds (VOCs), and especially for nonpolar organic solvents (epsilonpolymer networks. This expands the potential of polyelectrolytes that have been used only in aqueous solutions or highly polar solvents, and provides soft materials that swell in a variety of media. These materials could find applications as protective barriers for VOCs spilled in the environment and as absorbents for waste oil.

  18. Kinetic and geometric isotope effects originating from different adsorption potential energy surfaces: cyclohexane on Rh(111).

    Science.gov (United States)

    Koitaya, Takanori; Shimizu, Sumera; Mukai, Kozo; Yoshimoto, Shinya; Yoshinobu, Jun

    2012-06-07

    Novel isotope effects were observed in desorption kinetics and adsorption geometry of cyclohexane on Rh(111) by the use of infrared reflection absorption spectroscopy, temperature programmed desorption, photoelectron spectroscopy, and spot-profile-analysis low energy electron diffraction. The desorption energy of deuterated cyclohexane (C(6)D(12)) is lower than that of C(6)H(12). In addition, the work function change by adsorbed C(6)D(12) is smaller than that by adsorbed C(6)H(12). These results indicate that C(6)D(12) has a shallower adsorption potential than C(6)H(12) (vertical geometric isotope effect). The lateral geometric isotope effect was also observed in the two-dimensional cyclohexane superstructures as a result of the different repulsive interaction between interfacial dipoles. The observed isotope effects should be ascribed to the quantum nature of hydrogen involved in the C-H···metal interaction.

  19. PERVAPORATION FOR SEPARATING BENZENE/CYCLOHEXANE MIXTURE BY P(AA-MA) COPOLYMER MEMBRANES

    Institute of Scientific and Technical Information of China (English)

    Gao-fei Xu; Wei-pu Zhu

    2011-01-01

    P(AA-MA) copolymers composed of acrylic acid and methyl acrylate with different molecular weights and sequence structures were synthesized by combination of ATRP and selective hydrolysis. These copolymers were used as membrane materials to separate benzene/cyclohexane mixture by pervaporation. The effects of molecular weight and sequence structure of the copolymers on the pervaporation performance were investigated in detail. For the random copolymers, the permeate flux decreased rapidly with the increasing of molecular weight. The separation factor was also influenced by the molecular weight, which was changed from no selectivity to cyclohexane selectivity with increasing the molecular weight. Contrarily, the block copolymer membrane showed good benzene selectivity with separation factor of 4.3 and permeate flux of 157 g/(m2h) to 50 wt% benzene/cyclohexane mixture.

  20. Fluctuation capture in non-polar gases and liquids

    CERN Document Server

    Cocks, D G

    2016-01-01

    We present a new model to identify natural fluctuations in fluids, allowing us to describe localization phenomena in the transport of electrons, positrons and positronium through non-polar fluids. The theory contains no free parameters and allows for the calculation of capture cross sections $\\sigma_{cap}(\\epsilon)$ of light-particles in any non-polar fluid, required for non-equilibrium transport simulations. We postulate that localization occurs through large shallow traps before stable bound states are formed. Our results allow us to explain most of the experimental observations of changes in mobility and annihilation rates in the noble gases and liquids as well as make predictions for future experiments. Quantities which are currently inaccessible to experiment, such as positron mobilities, can be obtained from our theory. Unlike other theoretical approaches to localization, the outputs of our theory can be applied in non-equilibrium transport simulations and an extension to the determination of waiting ti...

  1. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    Science.gov (United States)

    Murthy, C. N.

    2005-01-01

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C60 fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C60 fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C60 fullerene. This was confirmed from fluorescence energy transfer studies. UV Vis studies further supported this observation that it is possible to selectively remove the C60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  2. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    Energy Technology Data Exchange (ETDEWEB)

    Murthy, C. N. [M.S. University of Baroda, Applied Chemistry Department, Faculty of Technology and Engineering (India)

    2005-01-15

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C{sub 60} fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C{sub 60} fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C{sub 60} fullerene. This was confirmed from fluorescence energy transfer studies. UV-Vis studies further supported this observation that it is possible to selectively remove the C{sub 60} fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  3. Synthesis of chiral cyclohexanes and carbasugars by 6-exo-dig radical cyclisation reactions

    Directory of Open Access Journals (Sweden)

    2008-11-01

    Full Text Available Treatment of 5-(tert-butyldimethylsilyl-2,3-O-isopropylidene-D-ribose with lithium acetylides gave mixtures of syn- and anti-alkynols 2a–2c which were separated following protection as methoxymethyl ethers. These were converted to the corresponding iodides which underwent 6-exo-dig radical cyclisation to afford chiral cyclohexanes and carbasugars. Oxidation of the primary alcohols 6a–b gave the corresponding aldehydes which on treatment with Grignard reagents afforded a mixture of alcohols. The corresponding iodides underwent similar 6-exo-dig cyclisation to give fully functionalised cyclohexanes.

  4. Cyclohexane triggers staged growth of pure and vertically aligned single wall carbon nanotubes

    Science.gov (United States)

    Ayala, P.; Grüneis, A.; Grimm, D.; Kramberger, C.; Engelhard, R.; Rümmeli, M.; Schumann, J.; Kaltofen, R.; Büchner, B.; Schaman, C.; Kuzmany, H.; Gemming, T.; Barreiro, A.; Pichler, T.

    2008-03-01

    An innovative staged chemical vapor deposition (SCVD) approach providing flexible control over the feedstock type during single wall carbon nanotube (SWNTs) growth is proposed. The efficiency of staged growth by means of a cyclohexane/methane system using thin film catalysts is here illustrated. The mechanism involves the nucleation stage efficiently triggered by cyclohexane, followed by methane assisting a growth stage yielding high purity SWNTs vertically aligned with lengths of several hundred μm. In addition, SCVD also facilitates catalyst free SWNT detachment enabling repeated growth.

  5. Effect of L-cysteine on the oxidation of cyclohexane catalyzed by manganeseporphyrin.

    Science.gov (United States)

    Zhou, Wei-You; Tian, Peng; Chen, Yong; He, Ming-Yang; Chen, Qun; Chen, Zai Xin

    2015-06-01

    Effect of L-cysteine as the cocatalyst on the oxidation of cyclohexane by tert-butylhydroperoxide (TBHP) catalyzed by manganese tetraphenylporphyrin (MnTPP) has been investigated. The results showed that L-cysteine could moderately improve the catalytic activity of MnTPP and significantly increase the selectivity of cyclohexanol. Different from imidazole and pyridine, the L-cysteine may perform dual roles in the catalytic oxidation of cyclohexane. Besides as the axial ligand for MnTPP, the L-cysteine could also react with cyclohexyl peroxide formed as the intermediate to produce alcohol as the main product.

  6. Selective oxidation of benzene and cyclohexane using amorphous microporous mixed oxides; Selektive Oxidation von Benzol und Cyclohexan mit amorphen mikroporoesen Mischoxiden

    Energy Technology Data Exchange (ETDEWEB)

    Stoeckmann, M.

    2000-07-01

    Phenol was to be produced by direct oxidation of benzene with environment-friendly oxidants like hydrogen peroxide, oxygen, or ozone. Catalysts were amorphous microporous mixed oxides whose properties can be selected directly in the sol-gel synthesis process. Apart from benzene, also cyclohexane was oxidized with ozone using AMM catalysts in order to get more information on the potential of ozone as oxidant in heterogeneously catalyzed reactions. [German] Ziel dieser Arbeit war die Herstellung von Phenol durch die Direktoxidation von Benzol mit umweltfreundlichen Oxidationsmitteln wie Wasserstoffperoxid, Sauerstoff oder Ozon. Als Katalysatoren dienten amorphe mikroporoese Mischoxide, da deren Eigenschaften direkt in der Synthese durch den Sol-Gel-Prozess gezielt eingestellt werden koennen. Neben Benzol wurde auch Cyclohexan mit Ozon unter der Verwendung von AMM-Katalysatoren oxidiert, um das Potential von Ozon als Oxiationsmittel in heterogen katalysierten Reaktionen naeher zu untersuchen. (orig.)

  7. Thermodiffusion in binary and ternary nonpolar hydrocarbon + alcohol mixtures

    Science.gov (United States)

    Eslamian, Morteza; Saghir, M. Ziad

    2012-12-01

    Thermodiffusion in complex mixtures, such as associating, molten metal, and polymer mixtures is difficult to model usually owing to the occurrence of a sign change in the thermodiffusion coefficient when the mixture concentration and temperature change. A mixture comprised of a nonpolar hydrocarbon and an alcohol is a complex and highly non-ideal mixture. In this paper an existing binary non-equilibrium thermodynamics model (Eslamian and Saghir, Physical Review E 80, 061201, 2009) developed for aqueous mixtures of alcohols is examined against the experimental data of binary nonpolar hydrocarbon and alcohol mixtures. For ternary mixtures, non-equilibrium thermodynamic expressions developed by the authors for aqueous mixtures of alcohols (Eslamian and Saghir, Canadian Journal of Chemical Engineering, DOI 10.1002/cjce.20581) is used to predict thermodiffusion coefficients of ternary nonpolar hydrocarbon and alcohol mixtures. The rationale behind the sign change is elucidated and attributed to an anomalous change in the molecular structure and therefore viscosity of such mixtures. Model predictions of thermodiffusion coefficients of binary mixtures predict a sign change consistent with the experimental data although the model is still too primitive to capture all structural complexities. For instance, in the methanol-benzene mixture where the model predictions are poorest, the viscosity data show that when concentration varies, the mixture's molecular structure experiences a severe change twice, the first major change leading to a maximum in the thermodiffusion coefficient, whereas the second change causes a sign change.

  8. Variation in Scent Compounds of Oil-Bearing Rose (Rosa damascena Mill. Produced by Headspace Solid Phase Microextraction, Hydrodistillation and Solvent Extraction

    Directory of Open Access Journals (Sweden)

    Sabri Erbaş

    2016-03-01

    Full Text Available In this research, rose oil and rose water were hydro-distilled from the fresh oil-bearing rose flowers (Rosa damascena Mill. using Clevenger-type apparatus. Rose concretes were extracted from the fresh rose flowers by using non-polar solvents, e.g. diethyl ether, petroleum ether, cyclo-hexane, chloroform and n-hexane, and subsequently by evaporation of the solvents under vacuum. Absolutes were produced from the concretes with ethyl alcohol extraction at -20°C, leaving behind the wax and other paraffinic substances. Scent compounds of all these products detected by gas chromatography (GC-FID/GC-MS were compared with the natural scent compounds of fresh rose flower detected by using headspace solid phase microextraction (HS-SPME with carboxen/polydimethylsiloxane (CAR/PDMS fiber. A total of 46 compounds analysis were identified by HS-SPME-GC-MS in the fresh flower, and a total of 15 compounds were identified by GC-MS in the hydrodistilled rose oil. While main compounds in rose oil were geraniol (35.4%, citronellol (31.6%, and nerol (15.3%, major compound in fresh rose flower, rose water and residue water was phenylethyl alcohol (43.2, 35.6 and 98.2%, respectively. While the highest concrete yield (0.7% was obtained from diethyl ether extraction, the highest absolute yield (70.9% was obtained from the n-hexane concrete. The diethyl ether concrete gave the highest productivity of absolute, as 249.7 kg of fresh rose flowers was needed to produce 1 kg of absolute.

  9. Olive oil phenols are absorbed in humans

    NARCIS (Netherlands)

    Vissers, M.N.; Zock, P.L.; Roodenburg, A.J.C.; Leenen, R.; Katan, M.B.

    2002-01-01

    Animal and in vitro studies suggest that olive oil phenols are effective antioxidants. The most abundant phenols in olive oil are the nonpolar oleuropein- and ligstroside-aglycones and the polar hydroxytyrosol and tyrosol. The aim of this study was to gain more insight into the metabolism of those

  10. Olive oil phenols are absorbed in humans

    NARCIS (Netherlands)

    Vissers, M.N.; Zock, P.L.; Roodenburg, A.J.C.; Leenen, R.; Katan, M.B.

    2002-01-01

    Animal and in vitro studies suggest that olive oil phenols are effective antioxidants. The most abundant phenols in olive oil are the nonpolar oleuropein- and ligstroside-aglycones and the polar hydroxytyrosol and tyrosol. The aim of this study was to gain more insight into the metabolism of those p

  11. A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane

    NARCIS (Netherlands)

    Manna, B.; Mukherjee, S.; Desai, A.V.; Sharma, S.; Krishna, R.; Ghosh, S.K.

    2015-01-01

    A diaminotriazine functionalized novel MOF (DAT-MOF-1) has been synthesized stemming out of a π-electron-deficient pore-surface functionalization based linker-design principle, which results in efficient selectivity of benzene sorption over its aliphatic analogue cyclohexane, crucial from the indust

  12. Synthesis of tetrahydrokhusitone. Annulation of the cyclohexane ring by free radical and carbanionic sequence of reactions

    Directory of Open Access Journals (Sweden)

    ZIVORAD CEKOVIC

    2003-05-01

    Full Text Available The synthesis of norcadinane sesquiterpene tetrahydrokhusitone 1 has been achieved by a new method for annulation of cyclohexane ring involving a sequence of free radical d-alkylation of the non-activated carbon atom and intramolecular carbanionic alkylation. (–-Menthol was used as the starting compound.

  13. The effect of Au on TiO2 catalyzed selective photocatalytic oxidation of cyclohexane

    NARCIS (Netherlands)

    Carneiro, Joana T.; Savenije, Tom J.; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    Gold does not induce visible light activity of anatase Hombikat UV100 in the selective photo-oxidation of cyclohexane, as can be concluded from in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) measurements. Extremely small conductance values measured at 530 nm in Time Resol

  14. Quantitative interpretation to the chain mechanism of free radical reactions in cyclohexane pyrolysis

    Institute of Scientific and Technical Information of China (English)

    Yingxian Zhao; Bo Shen; Feng Wei

    2011-01-01

    Pyrolysis of cyclohexane was conducted with a plug flow tube reactor in the temperature range of 873-973 K.Based on the experimental data,the mechanism and kinetic model of cyclohexane pyrolysis reaction were proposed.The kinetic analysis shows that overall conversion of cyclohexane is a first order reaction,of which the rate constant increased from 0.0086 to 0.0225 to 0.0623 s- 1 with the increase of temperature from 873 to 923 to 973 K,and the apparent activation energy was determined to be 155.0+1.0 kJ.mo1-1.The mechanism suggests that the cyclohexane is consumed by four processes:the homolysis of C-C bond (Path Ⅰ),the homolysis of C-H bond (Path Ⅱ) in reaction chain initiation,the H-abstraction of various radicals from the feed molecules in reaction chain propagation (Path Ⅲ),and the process associated with coke formation (Path Ⅳ).The reaction path probability (RPP) ratio of Xpath Ⅰ ∶ Xpath Ⅱ∶ XPath Ⅲ ∶ XPath Ⅳ was 0.5420 ∶ 0.0045 ∶ 0.3897 ∶ 0.0638 at 873 K,and 0.4336 ∶ 0.0061 ∶ 0.4885 ∶ 0.0718 at 973 K,respectively.

  15. A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane

    NARCIS (Netherlands)

    Manna, B.; Mukherjee, S.; Desai, A.V.; Sharma, S.; Krishna, R.; Ghosh, S.K.

    2015-01-01

    A diaminotriazine functionalized novel MOF (DAT-MOF-1) has been synthesized stemming out of a π-electron-deficient pore-surface functionalization based linker-design principle, which results in efficient selectivity of benzene sorption over its aliphatic analogue cyclohexane, crucial from the

  16. Energetic analyses of chair and boat conformations of maleimide substituted cyclohexane derivatives.

    Science.gov (United States)

    Remmert, Sarah; Parish, Carol

    2009-04-30

    An analysis of the conformational preferences of two maleimide substituted cyclohexane derivatives proposed as scaffolds for HIV-1 fusion inhibitors is presented. Hybrid Low Mode-Monte Carlo (1:1) conformational searches using seven different force fields were performed in combination with the GBSA(water) solvent model. Low energy structures identified in this way were subjected to geometry optimization on the B3LYP/6-31G** surface. Solvent effects were included in the quantum calculation using the self-consistent reaction field model for water. Quantum results indicate that the 1,3,5-maleimide functionalized 1,3,5-methyl cyclohexane is more stable in the boat conformation, whereas 1,3,5-maleimide functionalized cyclohexane adopts the expected chair conformation with equatorial arms. None of the force fields studied was able to predict the unexpected preference for the boat conformation of 1,3,5-maleimide functionalized 1,3,5-methyl cyclohexane. Comparison of low energy and experimental structures was also performed.

  17. Photocatalytic oxidation of cyclohexane by titanium dioxide: Catalyst deactivation and regeneration

    NARCIS (Netherlands)

    Carneiro, Joana T.; Moulijn, Jacob A.; Mul, Guido

    2010-01-01

    Two commercially available TiO2 catalysts were compared in the selective photocatalytic oxidation of cyclohexane: Hombikat UV100 (as received (H), and after calcination at 600 °C (H600)), and Solaronix, S450. Hombikat UV100 shows the highest initial activity on a g−1 catalyst basis, followed by H600

  18. How Gold Deposition Affects Anatase Performance in the Photo-catalytic Oxidation of Cyclohexane

    NARCIS (Netherlands)

    Carneiro, Joana T.; Yang, Chieh-Chao; Moma, John A.; Moulijn, Jacob A.; Mul, Guido

    2009-01-01

    Gold deposition on Hombikat UV100 was found to negatively affect the activity of this Anatase catalyst in selective photo-oxidation of cyclohexane. By ammonia TPD and DRIFT spectroscopy it was determined that the Au deposition procedure leads to a significant decrease in OH-group density (mol m−2 BE

  19. Cyclohexane bis-urea compounds for the gelation of water and aqueous solutions

    NARCIS (Netherlands)

    de Loos, M; Friggeri, A; van Esch, J; Kellogg, RM; Feringa, Bernard

    2005-01-01

    A new class of efficient hydrogelators has been developed by a simple modification of the peripheral substituents of cyclohexane bis-urea organogelators with hydrophilic hydroxy or amino functionalities. These bis-urea hydrogelators were synthesised in two or three steps using an alternative procedu

  20. Balancing Hydrogen Bonding and van der Waals Interactions in Cyclohexane-Based Bisamide and Bisurea Organogelators

    NARCIS (Netherlands)

    Zweep, Nick; Hopkinson, Andrew; Meetsma, Auke; Browne, Wesley R.; Feringa, Ben L.; van Esch, Jan H.; Zweep, Niek

    2009-01-01

    The solvent dependence of the gelation properties, the thermotropic behavior, and the melting enthalpy of a series of enantiomerically pure cyclohexane-based bisamide and bisurea compounds are reported. The two series of gelators examined are related structurally with the intermolecular interactions

  1. Solvent density mode instability in non-polar solutions

    Indian Academy of Sciences (India)

    Susmita Kar; Ranjit Biswas; J Chakrabarti

    2008-08-01

    We analyse the origin of the multiple long time scales associated with the long time decay observed in non-polar solvation dynamics by linear stability analysis of solvent density modes where the effects of compressibility and solvent structure are systematically incorporated. The coupling of the solute–solvent interactions at both ground and excited states of the solute with the compressibility and solvent structure is found to have important effects on the time scales. The present theory suggests that the relatively longer time constant is controlled by the solvent compressibility, while the solvent structure at the nearest-neighbour length scale dominates the shorter time constant.

  2. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    Institute of Scientific and Technical Information of China (English)

    GUAN Chun-Ying; SHI Jin-Hui; YUAN Li-Bo

    2008-01-01

    A polarizing beam splitter(PBS)and a non-polarizing beam splitter(NPBS)based on a photonic crystal(PC)directional coupler are demonstrated.The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap.The photonic band structure and the band gap map are calculated using the plane wave expansion(PWE)method.The splitting properties of the splitter are investigated numerically using the finite difference time domain(FDTD)method.

  3. Influence of Nonpolar Substances on the Extraction Efficiency of Six Alkaloids in Zoagumhwan Investigated by Ultra Performance Liquid Chromatography and Photodiode Array Detection

    Directory of Open Access Journals (Sweden)

    Shijing Liu

    2012-11-01

    Full Text Available A reverse phase ultra performance liquid chromatography and photodiode array (UPLC-PDA detection method was established for the determination of six alkaloids in Zoagumhwan (ZGW, and further for investigating the influence of nonpolar substances on the extraction efficiency of these alkaloids. The method was based on a BEH C18 (50 mm × 2.1 mm, 1.7 μm column and mobile phase of aqueous phosphoric acid and acetonitrile including 0.05% buffer solution under gradient elution. ZGW samples of ZGW I, II, III and IV were obtained and prepared by pre-processing the crude materials of Coptidis rhizoma and Evodiae fructus using four technologies, namely direct water decoction, removal of nonpolar substances in Evodiae fructus by supercritical fluid extraction (SFE, removal of nonpolar substances in ZGW by SFE and removal of nonpolar substances in ZGW by steam distillation. The developed and validated UPLC-PDA method was precise, accurate and sensitive enough based on the facts that the six alkaloids showed good regression (r > 0.9998, the limit of detections and quantifications for six alkaloids were less than 28.8 and 94.5 ng/mL, respectively, and the recovery was in the range of 98.56%–103.24%. The sequence of the total contents of six alkaloids in these samples was ZGW II > ZGW IV > ZGW III > ZGW I. ZGW II, in which nonpolar substances, including essential oils, were firstly removed from Evodiae fructus by SFE, had the highest content of the total alkaloids, indicating that extraction efficiency of the total alkaloids could be remarkably increased after Evodiae fructus being extracted by SFE.

  4. Improper hydrogen bonded cyclohexane C-Hax···Yax contacts: theoretical predictions and experimental evidence from 1H NMR spectroscopy of suitable axial cyclohexane models.

    Science.gov (United States)

    Kolocouris, Antonios; Zervos, Nikolaos; De Proft, Frank; Koch, Andreas

    2011-06-03

    C-H(ax)···Y(ax) contacts are a textbook prototype of steric hindrance in organic chemistry. The nature of these contacts is investigated in this work. MP2/6-31+G(d,p) calculations predicted the presence of improper hydrogen bonded C-H(ax)···Y(ax) contacts of different strength in substituted cyclohexane rings. To support the theoretical predictions with experimental evidence, several synthetic 2-substituted adamantane analogues (1-24) with suitable improper H-bonded C-H(ax)···Y(ax) contacts of different strength were used as models of a substituted cyclohexane ring. The (1)H NMR signal separation, Δδ(γ-CH(2)), within the cyclohexane ring γ-CH(2)s is raised when the MP2/6-31+G(d,p) calculated parameters, reflecting the strength of the H-bonded C-H(ax)···Y(ax) contact, are increased. In molecules with enhanced improper H-bonded contacts C-H(ax)···Y(ax), like those having sterically crowded contacts (Y(ax) = t-Bu) or contacts including considerable electrostatic attractions (Y(ax) = O-C or O═C) the calculated DFT steric energies of the γ-axial hydrogens are considerably reduced reflecting their electron cloud compression. The results suggest that the proton H(ax) electron cloud compression, caused by the C-H(ax)···Y(ax) contacts, and the resulting increase in Δδ(γ-CH(2)) value can be effected not just from van der Waals spheres compression, but more generally from electrostatic attraction forces and van der Waals repulsion, both of which are improper H-bonding components.

  5. Electrophoretic Retardation of Colloidal Particles in Nonpolar Liquids

    Directory of Open Access Journals (Sweden)

    Filip Strubbe

    2013-04-01

    Full Text Available We have measured the electrophoretic mobility of single, optically trapped colloidal particles, while gradually depleting the co-ions and counterions in the liquid around the particle by applying a dc voltage. This is achieved in a nonpolar liquid, where charged reverse micelles act as co-ions and counterions. By increasing the dc voltage, the mobility first increases when the concentrations of co-ions and counterions near the particle start to decrease. At sufficiently high dc voltage (around 2 V, the mobility reaches a saturation value when the co-ions and counterions are fully separated. The increase in mobility is larger when the equilibrium ionic strength is higher. The dependence of the experimental data on the equilibrium ionic strength and on the applied voltage is in good agreement with the standard theory of electrophoretic retardation, assuming that the bare particle charge remains constant. This method is useful for studying the electrophoretic retardation effect and charging mechanisms for nonpolar colloids, and it sheds light on previously unexplained particle acceleration in electronic ink devices.

  6. C-H(ax)...Y(ax) contacts in cyclohexane derivatives revisited-identification of improper hydrogen-bonded contacts.

    Science.gov (United States)

    Kolocouris, Antonios

    2009-03-06

    The structure of 111 cyclohexane derivatives bearing the axial substitution Y(ax)-C was optimized at the B3LYP/6-31+G(d,p) level. The natural bond orbital analysis revealed the presence of overlap interactions between the axial substituent and the antibonding sigma*(C-Hax) orbitals; these calculated hyperconjugative interactions suggest the presence of improper H-bonded contacts. The addition of an appropriate bridging fragment between the axial substituent and cyclohexane carbon strengthens significantly the hydrogen-bonding component of the contact and several structures of axially substituted cyclohexane derivatives including such hydrogen-bonded C-H(ax)...Y(ax)-C contacts were retrieved from the Cambridge Crystallographic Database. Overall, the calculations predicted that the C-H(ax)...Y(ax)-C contacts in common cyclohexane derivatives that are generally thought to be steric in nature (Pauli repulsive forces) include an improper hydrogen-bonding component.

  7. Plasmonic cyclohexane-sensing by sputter-deposited Au nanoparticle array on SiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kawaguchi, Kazuhiro [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo, Kyoto 606-8585 (Japan); Yamamoto, Shunya; Yoshikawa, Masahito [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki, Gunma 370-1292 (Japan); Takahiro, Katsumi, E-mail: takahiro@kit.ac.jp [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo, Kyoto 606-8585 (Japan)

    2014-07-01

    We have examined the plasmonic sensing ability of Au nanoparticle (NP) arrays for dilute cyclohexane. Au NP arrays were fabricated on SiO{sub 2} by a sputter deposition technique. The change in an extinction spectrum of Au NP arrays before and after exposure of cyclohexane vapor enabled us to detect it. The Au NP array prepared with 4.4 × 10{sup 16} Au atoms/cm{sup 2} by heating at 300 °C was densely arranged on the substrate and exhibited a high sensitivity for cyclohexane. The experimentally detectable concentration of cyclohexane was as low as 0.5 vol%, much lower than its explosion limit (1.3 vol%). Furthermore, the detection limit was estimated to be ∼ 0.3 vol%, which was approximately one fourth of the explosion limit.

  8. Estimation of Kinetic Parameters for Autocatalytic Oxidation of Cyclohexane Based on a Modified Adaptive Genetic Algorithm

    Institute of Scientific and Technical Information of China (English)

    刘平乐; 邹丽珊; 罗和安; 王良芥; 郑金华

    2004-01-01

    A modified genetic algorithm of multiple selection strategies, crossover strategies and adaptive operator is constructed, and it is used to estimate the kinetic parameters in autocatalytic oxidation of cyclohexane. The influences of selection strategy, crossover strategy and mutation strategy on algorithm performance are discussed. This algorithm with a specially designed adaptive operator avoids the problem of local optimum usually associated with using standard genetic algorithm and simplex method. The kinetic parameters obtained from the modified genetic algorithm are credible and the calculation results using these parameters agree well with experimental data. Furthermore, a new kinetic model of cyclohexane autocatalytic oxidation is established and the kinetic parameters are estimated by using the modified genetic algorithm.

  9. THE OBSERVATION OF INTERNAL MOTION OF LINEAR POLYSTYRENE CHAINS IN CYCLOHEXANE AROUND θ TEMPERATURE

    Institute of Scientific and Technical Information of China (English)

    Jun-fang Li; Yi-jie Lu; Guang-zhao Zhang; Chi Wu

    2008-01-01

    A high molecular weight (Mw=1.85×107) polystyrene (PS) with narrow distribution was prepared by high vacuum anionic polymerization in tetrahydrofuran.By use of dynamic light scattering,the dynamics of PS chains in cyclohexane was studied around the 0 temperature.For the first time,we have observed the internal motion of polymer chains in solutions below the θ temperature by using dynamic light scattering at smaller angles (even qRg<1).

  10. Inhibition of Ps Formation in Benzene and Cyclohexane by CH3CI and CH3Br

    DEFF Research Database (Denmark)

    Wikander, G.; Mogensen, O. E.; Pedersen, Niels Jørgen

    1983-01-01

    of the inhibition of Ps formation by CH3Br was ten times that of CH3Cl in cyclohexane, because the CH3Br− anion debrominates rapidly, while CH3Cl− is long-lived (= 30 ns) compared to the maximum time of Ps formation of 400–500 ps. as shown in radiation chemistry. The positron can pick off the electron from the CH3X...

  11. e,e-trans-Cyclohexane-1,4-carboxylic acid–hexamethylenetetramine (1/2

    Directory of Open Access Journals (Sweden)

    Andreas Lemmerer

    2011-02-01

    Full Text Available The asymmetric unit of the title compound, 2C6H12N4·C8H12O4, contains one half-molecule of e,e-trans-cyclohexane-1,4-dicarboxylic acid (the complete molecule being generated by inversion symmetry and one molecule of hexamethylenetetramine (HMTA, which are connected by O—H...N hydrogen bonds. This forms isolated trimers that pack in a herringbone fashion.

  12. Coherent Control of Vibrational State Population in a Nonpolar Molecule

    CERN Document Server

    Picón, A; Jaron-Becker, A; Becker, A; 10.1103/PhysRevA.83.023412

    2011-01-01

    A coherent control scheme for the population distribution in the vibrational states of nonpolar molecules is proposed. Our theoretical analysis and results of numerical simulations for the interaction of the hydrogen molecular ion in its electronic ground state with an infrared laser pulse reveal a selective two-photon transition between the vibrational states via a coupling with the first excited dissociative state. We demonstrate that for a given temporal intensity profile the population transfer between vibrational states, or a superposition of vibrational states, can be made complete for a single chirped pulse or a train of chirped pulses, which accounts for the accumulated phase difference due to the AC Stark effect. Effects of a spatial intensity (or, focal) averaging are discussed.

  13. Polarity inversion in polar-nonpolar-polar heterostructures.

    Science.gov (United States)

    Cho, S; Youn, S J; Kim, Y; DiVenere, A; Wong, G K; Freeman, A J; Ketterson, J B

    2001-09-17

    We have observed an epilayer-thickness-dependent polarity inversion for the growth of CdTe on Sb(Bi)/CdTe(111)B. For films with Sb(Bi) thicknesses of less than 40 A (15 A), the CdTe layer shows a B (Te-terminated) face, but it switches to an A (Cd-terminated) face for thicker layers. On the other hand, a CdTe layer grown on Bi(Sb)/CdTe(111)A always shows the A face regardless of Sb or Bi layer thicknesses. In order to address the observations we have performed ab initio calculations, which suggest that the polarity of a polar material on a nonpolar one results from the binding energy difference between the two possible surface configurations.

  14. High-resolution field desorption/ionization fourier transform ion cyclotron resonance mass analysis of nonpolar molecules.

    Science.gov (United States)

    Schaub, Tanner M; Hendrickson, Christopher L; Qian, Kuangnan; Quinn, John P; Marshall, Alan G

    2003-05-01

    We report the first field desorption ionization broadband high-resolution (m/Deltam(50%) approximately 65 000) mass spectra. We have interfaced a field ionization/field desorption source to a home-built 9.4-T FT-ICR mass spectrometer. The instrumental configuration employs convenient sample introduction (in-source liquid injection) and external ion accumulation. We demonstrate the utility of this configuration by generating high-resolution positive-ion mass spectra of C(60) and a midboiling crude oil distillate. The latter contains species not accessible by common soft-ionization methods, for example, low-voltage electron ionization, electrospray ionization, and matrix-assisted laser desorption/ionization. The present work demonstrates significant advantages of FI/FD FT-ICR MS for analysis of nonpolar molecules in complex mixtures.

  15. Thermal pretreatment of olive mill wastewater for efficient methane production: control of aromatic substances degradation by monitoring cyclohexane carboxylic acid.

    Science.gov (United States)

    Pontoni, Ludovico; d'Antonio, Giuseppe; Esposito, Giovanni; Fabbricino, Massimiliano; Frunzo, Luigi; Pirozzi, Francesco

    2015-01-01

    Anaerobic digestion is investigated as a sustainable depurative strategy of olive oil mill wastewater (OOMW). The effect of thermal pretreatment on the anaerobic biodegradation of aromatic compounds present in (OMWW) was investigated. The anaerobic degradation of phenolic compounds, well known to be the main concern related to this kind of effluents, was monitored in batch anaerobic tests at a laboratory scale on samples pretreated at mild (80±1 °C), intermediate (90±1 °C) and high temperature (120±1 °C). The obtained results showed an increase of 34% in specific methane production (SMP) for OMWW treated at the lowest temperature and a decrease of 18% for treatment at the highest temperature. These results were related to the different decomposition pathways of the lignocellulosic compounds obtained in the tested conditions. The decomposition pathway was determined by measuring the concentrations of volatile organic acids, phenols, and chemical oxygen demand (COD) versus time. Cyclohexane carboxylic acid (CHCA) production was identified in all the tests with a maximum concentration of around 200 µmol L(-1) in accordance with the phenols degradation, suggesting that anaerobic digestion of aromatic compounds follows the benzoyl-CoA pathway. Accurate monitoring of this compound was proposed as the key element to control the process evolution. The total phenols (TP) and total COD removals were, with SMP, the highest (TP 62.7%-COD 63.2%) at 80 °C and lowest (TP 44.9%-COD 32.2%) at 120 °C. In all cases, thermal pretreatment was able to enhance the TP removal ability (up to 42% increase).

  16. Aerogel Microparticles from Oil-in-Oil Emulsion Systems.

    Science.gov (United States)

    Gu, Senlong; Zhai, Chunhao; Jana, Sadhan C

    2016-06-01

    This paper reports preparation of polymer aerogel microparticles via sol-gel reactions inside micrometer size droplets created in an oil-in-oil emulsion system. The oil-in-oil emulsion system is obtained by dispersing in cyclohexane the droplets of the sols of polybenzoxazine (PBZ) or polyimide (PI) prepared in dimethylformamide. The sol droplets transform into harder gel microparticles due to sol-gel reactions. Finally, the aerogel microparticles are recovered using supercritical drying of the gel microparticles. The PBZ and PI aerogel microparticles prepared in this manner show mean diameter 32.7 and 40.0 μm, respectively, mesoporous internal structures, and surface area 55.4 and 512.0 m(2)/g, respectively. Carbonization of PBZ aerogel microparticles maintains the mesoporous internal structures but yields narrower pore size distribution.

  17. Density and Phase State of a Confined Nonpolar Fluid

    Science.gov (United States)

    Kienle, Daniel F.; Kuhl, Tonya L.

    2016-07-01

    Measurements of the mean refractive index of a spherelike nonpolar fluid, octamethytetracylclosiloxane (OMCTS), confined between mica sheets, demonstrate direct and conclusive experimental evidence of the absence of a first-order liquid-to-solid phase transition in the fluid when confined, which has been suggested to occur from previous experimental and simulation results. The results also show that the density remains constant throughout confinement, and that the fluid is incompressible. This, along with the observation of very large increases (many orders of magnitude) in viscosity during confinement from the literature, demonstrate that the molecular motion is limited by the confining wall and not the molecular packing. In addition, the recently developed refractive index profile correction method, which enables the structural perturbation inherent at a solid-liquid interface and that of a liquid in confinement to be determined independently, was used to show that there was no measurable excess or depleted mass of OMCTS near the mica surface in bulk films or confined films of only two molecular layers.

  18. Design of non-polarizing thin film edge filters

    Institute of Scientific and Technical Information of China (English)

    GU Pei-fu; ZHENG Zhen-rong

    2006-01-01

    The separation between s- and p-polarization components invariably affects thin film edge filters used for tilted incidence and is a difficult problem for many applications, especially for optical communication. This paper presents a novel design method to obtain edge filters with non-polarization at incidence angle of 45°. The polarization separation at 50% transmittance for a long-wave-pass filter and a short-wave-pass filter is 0.3 nm and 0.1 nm respectively. The design method is based on a broadband Fabry-Perot thin-film interference filter in which the higher or lower interference band at both sides of the main transmittance peak can be used for initial design of long-wave-pass filter or short-wave-pass filter and then can be refined to reduce the transmittance ripples. The spacer 2H2L2H or 2L2H2L of the filter is usually taken. Moreover, the method for expanding the bandwidth of rejection and transmission is explained. The bandwidth of 200 nm for both rejection region and transmission band is obtained at wavelength 1550 nm. In this way, the long-wave-pass and short-wave-pass edge filters with zero separation between two polarization components can easily be fabricated.

  19. Pulse radiolysis of solutions of stilbene. 2. Ionic and free radical species in benzene and cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, E.A.; Salmon, G.A.

    1978-02-23

    The spectra of the radical cation and anion of trans-stilbene in benzene and cyclohexane have been resolved using various electron and positive charge scavengers. The decay of the ions is second order in both solvents. In cyclohexane only part of the yield of solvent cations is scavengeable by trans-stilbene; in benzene the stilbene cation is converted to the dimer in the presence of high stilbene concentrations. The electron scavengers N/sub 2/O and c-C/sub 6/F/sub 12/ compete directly with trans-stilbene for electrons and we deduce rate constants for the reactions of electrons with c-C/sub 6/F/sub 12/ and trans-stilbene of (1.2 +- 0.6) x 10/sup 12/ and (0.72 +- 0.5) x 10/sup 12/ M/sup -1/ s/sup -1/, respectively. SF/sub 6/ reduces the yield of trans-stilbene anion more efficiently than can be attributed solely to electron scavenging and it is shown that electron transfer from trans-stilbene anion to SF/sub 6/ occurs at a rate constant, k/sub 4/ = (3.9 +- 0.4) x 10/sup 9/ M/sup -1/ s/sup -1/. The presence of either aniline or n-butylamine causes enhancement of the yield of stilbene anion, the effect being particularly marked in the case of aniline. Possible explanations of the effect are considered. It is proposed that the UV absorptions are due to radical species, which in cyclohexane solution are most probably formed by the addition of cyclohexyl radicals to the olefinic double bond of the stilbenes.

  20. Tandem dinucleophilic cyclization of cyclohexane-1,3-diones with pyridinium salts

    Directory of Open Access Journals (Sweden)

    Mostafa Kiamehr

    2013-06-01

    Full Text Available The cyclization of cyclohexane-1,3-diones with various substituted pyridinium salts afforded functionalized 8-oxa-10-aza-tricyclo[7.3.1.02,7]trideca-2(7,11-dienes. The reaction proceeds by regioselective attack of the central carbon atom of the 1,3-dicarbonyl unit to 4-position of the pyridinium salt and subsequent cyclization by base-assisted proton migration and nucleophilic addition of the oxygen atom to the 2-position, as was elucidated by DFT computations. Fairly extensive screening of bases and additives revealed that the presence of potassium cations is essential for formation of the product.

  1. Heteroarylazo derivatives of cyclohexane-1,3-dione and their metal complexes

    Directory of Open Access Journals (Sweden)

    Ummathur Muhammed Basheer

    2014-01-01

    Full Text Available The coupling of diazotized 2-aminothiazole and 2-aminobenzo-thiazole with cyclohexane-1,3-dione yielded a new type of tridentate ligand systems (HL. Analytical, IR, 1H NMR, 13C NMR and mass spectral data indicate the existence of the compounds in the intramolecularly hydrogen bonded azo-enol tautomeric form. Monobasic tridentate coordination of the compounds in their [CuL(OAc] and [ML2] complexes [M = Ni(II and Zn(II] has been established on the basis of analytical and spectral data. The Zn(II chelates are diamagnetic while Cu(II and Ni(II complexes showed normal paramagnetic moment.

  2. NMR relaxation and micro-imaging study of polystyrene in concentrated cyclohexane solution

    Institute of Scientific and Technical Information of China (English)

    毛诗珍; 丁广良; 袁汉珍; 冯汉桥; 杜有如

    1997-01-01

    13C-NMR relaxation times of polystyrene (PS) in its 8 solvent, cyclohexane, are measured at different temperatures. A two-step model for the dissolution is proposed. Swelling of the polymer below the 8 temperature is eventually the dispersion of the side group phenyl rings only. While above the 6 temperature, complete dissolution is the dispersion of the main chain at a molecular level. The results of T1(C) are confirmed by 1H-NMR imaging. NMR and its imaging are powerful tools to study the dynamic behavior of dissolution process of polymers in their 6 solvents.

  3. Metabolic Activation of Nonpolar Sediment Extracts Results in enhanced Thyroid Hormone Disrupting Potency

    NARCIS (Netherlands)

    Montano, M.; Weiss, J.; Hoffmann, L.; Gutleb, A.C.; Murk, A.J.

    2013-01-01

    Traditional sediment risk assessment predominantly considers the hazard derived from legacy contaminants that are present in nonpolar sediment extracts, such as polychlorinated biphenyls (PCBs), dioxins, furans (PCDD/Fs), and polyaromatic hydrocarbons (PAHs). Although in vivo experiments with these

  4. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

    NARCIS (Netherlands)

    Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

    2014-01-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenz

  5. On the origins of kinetic resolution of cyclohexane-1,2-diols through stereoselective acylation by chiral tetrapeptides.

    Science.gov (United States)

    Shinisha, C B; Sunoj, Raghavan B

    2009-08-06

    The relative energies of cyclohexane-1,2-diols and chiral tetrapeptide (2 (Boc) or 3 (Moc)) complexes calculated using DFT indicate a thermodynamic preference for chiral recognition toward (1R,2R)(e,e)-alpha isomer. The barrier for stereoselective acyl transfer is identified as lower for trans-(1R,2R)-cyclohexane-1,2-diol, leading to the kinetic resolution (KR) of trans-(1S,2S)-cyclohexane-1,2-diol. The prediction is in concert with the reported experiments for trans-diols, while that for hitherto unknown cis-diol demands experimental verification. It is proposed that desymmetrization would enable the resolution of cis-(1R,2S)-2-hydroxycyclohexyl acetate.

  6. Acousto-optic modulation and deflection of terahertz electromagnetic radiation in nonpolar liquids

    Science.gov (United States)

    Nikitin, P. A.; Voloshinov, V. B.; Gerasimov, V. V.; Knyazev, B. A.

    2017-07-01

    The results of a series of experiments on controlled deflection of electromagnetic radiation of a free-electron laser upon diffraction by an acoustic wave in nonpolar liquids are presented. Acoustic and optical properties of liquids that are transparent in the terahertz range are discussed. It is demonstrated that nonpolar liquids may turn out to be a more efficient acousto-optic interaction medium than dielectric crystals or semiconductors.

  7. Study on Properties of Microemulsion AEO-9/Butanol/Cyclohexane/Salt Aqueous Solution

    Institute of Scientific and Technical Information of China (English)

    Qiu Guanming; Chen Yongjie; Tian Yiguang; Fang Li; Xiao Linjiu; Sun Yanbin

    2004-01-01

    The microemulsion AEO-9/butanol/cyclohexane/nitrate aqueous solution (or ammonium salt aqueous solution) was studied, which was used as 'micro-reactor' in preparing long afterglow phosphor materials SrAl2O4: Eu2+ ,Dy3+. The phase behavior of microemulsion was investigated. The radius of inner water droplet Rw and the change of standard free energy ΔG*o→i were obtained by means of dilution method and theoretical calculation. The result shows that with the increase of W/S, the area of microemulsion region decreases, Rw and ΔG*o→i increase and the microemulsion stability decreases. The structure change and formation area of microemulsion AEO-9/butanol/cyclohexane/nitrate aqueous solution ( or ammonium salt aqueous solution) were offered for the adoption of a synthesis method with newly high efficiency and utility. The particular size and its distribution theory gist, fluorescence life-span, and quenching concentration parameter data were expected. A new approach was explored for finding a new preparation method of rare earths afterglow materials and increasing luminescence intensity without crashing.

  8. Highly organosoluble and transparent polyamides containing cyclohexane and trifluoromethyl moieties: Synthesis and characterization

    Directory of Open Access Journals (Sweden)

    2009-11-01

    Full Text Available New aromatic diamine with cyclohexane moiety substituted with trifluoromethyl group in the side chain, 4,4’-(cyclohexane-1,4-diylbis(oxybis(3-(trifluoromethylaniline (2, was successfully synthesized through the Williamson reaction of 1,4-cyclohexanediol and 2-chloro-5-nitrobenzotrifluoride, to yield the intermediate dinitro compound 1, followed by catalytic reduction with hydrazine and Pd/C to afford the diamine 2. This diamine monomer leads to a series of organic-soluble polyamides (4a–d when reacted with different commercially available aromatic diacids (a–d via a direct polycondensation with triphenyl phosphite and pyridine. The resulting polymers had inherent viscosities ranging from 0.89 to 1.29 dl/g. All the polymers showed outstanding solubility and could be easily dissolved in amide-type polar aprotic solvents and even dissolved in less polar solvents. All the polymers formed transparent, strong, and flexible films with tensile strengths of 54–68 MPa, Young’s moduli of 1.6–1.9 GPa, and elongations at break of 13.3–15.5%. These polyamide films have low dielectric constants of 2.15–2.88 at 1 MHz and low water absorptions of 1.96–2.84%. Wide-angle X-ray diffraction measurements revealed that these polyamides were amorphous in nature.

  9. Effect of water contaminated with phthalate, benzene and cyclohexane on Clarias gariepinus' cellular system.

    Science.gov (United States)

    Adeyemi, O; Oginni, O; Osubor, C C; Adeyemi, O; Oloyede, O B; Oladiji, A T; Adebayo, E A

    2009-08-01

    This study evaluates the effect of water contaminated with phthalate, benzene and cyclohexane (major components of municipal waste in Nigeria) on the cellular system of Clarias gariepinus. Standard enzyme assays were conducted for alkaline phosphatase, acid phosphatase, alanine transaminase, aspartate transaminase, lactate dehydrogenase, gamma glutamyl transpeptidase of selected tissues of C. gariepinus cultivated in contaminated water over a period of 56 days. Generally, a significant decrease in the activity of the enzymes of the tissues of C. gariepinus cultivated in contaminated water was observed relative to the control (pgariepinus cultivated in phthalate contaminated water was found to be 8.26+/-1.42 while that of control was 14.42+/-1.09. The activity of serum gamma glutamyl transpeptidase of serum of the same group of fish was found to be twice that of control. It could be inferred that membrane integrity of the tissues studied are compromised and that tissue dysfunction may result. Consumption of C. gariepinus cultivated in water contaminated with phthalate, benzene and cyclohexane could pose threats to public health.

  10. Transport properties of the binary mixtures of the three organic liquids toluene, methanol, and cyclohexane

    Science.gov (United States)

    Lapeira, E.; Gebhardt, M.; Triller, T.; Mialdun, A.; Köhler, W.; Shevtsova, V.; Bou-Ali, M. M.

    2017-03-01

    We report on the measurements of diffusion (D), thermodiffusion (DT), and Soret (ST) coefficients in binary pairs of the ternary system toluene-methanol-cyclohexane using different instrumental techniques: microgravity measurements (SODI/DCMIX2) on the International Space Station, thermogravitational column in combination with sliding symmetric tubes, optical beam deflection, optical digital interferometry, and counter flow cell. The binary systems have large regions where the mixtures are either not miscible or the Soret coefficient is negative. All the coefficients have been measured over a wide composition range with the exception of a miscibility gap. Results from different instruments and literature data are in favorable agreement over a broad composition range. Additionally, we have carefully measured the physical properties and the optical contrast factors (∂n/∂c ) p ,T and (∂n/∂T ) p ,c. The latter ones were also calculated using the Looyenga equation. The measurements in methanol-cyclohexane mixture revealed a decay of the diffusion coefficient when approaching the miscibility gap. We have interpreted this in the spirit of the pseudospinodal concept.

  11. Conformational preferences of 1-amino-2-phenylcyclohexanecarboxylic acid, a phenylalanine cyclohexane analogue.

    Science.gov (United States)

    Alemán, Carlos; Jiménez, Ana I; Cativiela, Carlos; Nussinov, Ruth; Casanovas, Jordi

    2009-10-16

    The intrinsic conformational preferences of the restricted phenylalanine analogue generated by including the alpha and beta carbon atoms into a cyclohexane ring (1-amino-2-phenylcyclohexanecarboxylic acid, c(6)Phe) have been determined using quantum mechanical calculations. Specifically, the conformational profile of the N-acetyl-N'-methylamide derivative of the c(6)Phe stereoisomers exhibiting either a cis or a trans relative orientation between the amino and phenyl substituents has been analyzed in different environments (gas phase, chloroform, and aqueous solutions). Calculations were performed using B3LYP, MP2, and HF methods combined with the 6-31+G(d,p) and 6-311++G(d,p) basis sets, and a self-consistent reaction-field (SCRF) method was applied to analyze the influence of the solvent. The amino acids investigated can be viewed as constrained phenylalanine analogues with a rigidly oriented aromatic side chain that may interact with the peptide backbone not only sterically but also electronically through the aromatic pi orbitals. Their conformational propensities have been found to be strongly influenced by the specific orientation of the aromatic substituent in each stereoisomer and the conformation adopted by the cyclohexane ring, as well as by the environment.

  12. Thermodynamic Properties of the Azeotropic Mixture of Acetone, Cyclohexane and Methanol

    Institute of Scientific and Technical Information of China (English)

    WANG Xiu-Rong; NAN Zhao-Dong; TAN Zhi-Cheng

    2006-01-01

    Molar heat capacities of the pure samples of acetone, methanol and the azeotropic mixture composed of acetone,cyclohexane and methanol were measured by an adiabatic calorimeter from 78 to 320 K. The solid-solid and solid-liquid phase transitions of the pure samples and the mixture were determined based on the curve of the heat capacity with respect to temperature. The phase transitions took place at (126.16±0.68) and (178.96±1.47) K for the sample of acetone, (157.79±0.95) and (175.93±0.95) K for methanol, which were corresponding to the solid-solid and the solid-liquid phase transitions of the acetone and the methanol, respectively. And the phase transitions occurred in the temperature ranges of 120 to 190 K and 278 to 280 K corresponding to the solid-solid and the solid-liquid phase transitions of mixture of acetone, cyclohexane and methanol, respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to standard temperature of 298.15 K were derived based on the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature.

  13. Critical concentration of ion-pairs formation in nonpolar media.

    Science.gov (United States)

    Dukhin, Andrei

    2014-07-01

    It is known that nonpolar liquids can be ionized by adding surfactants, either ionic or nonionic. Surfactant molecules serve as solvating agents, building inverse micelles around ions, and preventing their association back into neutral molecules. According to the Bjerrum-Onsager-Fuoss theory, these inverse micelle ions should form "ion pairs." This, in turn, leads to nonlinear dependence of the conductivity on the concentration. Surprisingly, ionic surfactants exhibit linear conductivity dependence, which implies that these inverse micelle ions do not form ion pairs. Theory predicts the existence of two ionic strength ranges, which are separated by a certain critical ion concentration. Ionic strength above the critical one is proportional to the square root of the ion concentration, whereas it becomes linear below the critical concentration. Critical ion concentration lies within the range of 10(-11) -10(-7) mol/L when ion size ranges from 1 to 3 nm. Critical ion concentration is related, but not equal, to a certain surfactant concentration (critical concentration of ion-pairs formation (CIPC)) because only a fraction of the surfactant molecules is incorporated into the micelles ions. The linear conductivity dependence for ionic surfactants indicates that the corresponding CIPC is above the range of studied concentrations, perhaps, due to rather large ion size. The same linearity is a sign that charged inverse micelles structure and fraction are concentration independent due to strong charge-dipole interaction in the charge micelle core. This also proves that CIPC is independent of critical concentration of micelle formation. Nonionic surfactants, on the other hand, exhibit nonlinear conductivity dependence apparently due to smaller ion sizes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The influence of non-polar lipids on tear film dynamics

    KAUST Repository

    Bruna, M.

    2014-04-04

    © 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non-polar lipid layer, the thickness of the aqueous layer and the concentration of polar lipids which reside at the interface between the two. We also utilise a force balance in the non-polar lipid layer in order to determine its velocity. We show how to obtain previous models in the literature from our model by making particular choices of the parameters. We see the formation of boundary layers in some of these submodels, across which the concentration of polar lipid and the non-polar lipid velocity and film thickness vary. We solve our model numerically for physically realistic parameter values, and we find that the evolution of the aqueous layer and the polar lipid layer are similar to that described by previous authors. However, there are interesting dynamics for the non-polar lipid layer. The effects of altering the key parameters are highlighted and discussed. In particular, we see that the Marangoni number plays a key role in determining how far over the eye the non-polar lipid spreads.

  15. Mechanism of Nonpolar Model Substances to Inhibit Primary Gushing Induced by Hydrophobin HFBI.

    Science.gov (United States)

    Shokribousjein, Zahra; Riveros Galan, David; Losada-Pérez, Patricia; Wagner, Patrick; Lammertyn, Jeroen; Arghir, Iulia; Golreihan, Asefeh; Verachtert, Hubert; Aydın, Ahmet Alper; De Maeyer, Marc; Titze, Jean; Ilberg, Vladimír; Derdelinckx, Guy

    2015-05-13

    In this work, the interactions of a well-studied hydrophobin with different types of nonpolar model substances and their impact on primary gushing is evaluated. The nature, length, and degree of saturation of nonpolar molecules are key parameters defining the gushing ability or inhibition. When mixed with hydrophobins, the nonpolar molecule-hydrophobin assembly acts as a less gushing or no gushing system. This effect can be explained in the framework of a competition effect between non-polar systems and CO2 to interact with the hydrophobic patch of the hydrophobin. Interactions of these molecules with hydrophobins are promoted as a result of the similar size of the nonpolar molecules with the hydrophobic patch of the protein, at the expense of the formation of nanobubbles with CO2. In order to prove the presence of interactions and to unravel the mechanisms behind them, a complete set of experimental techniques was used. Surface sensitive techniques clearly show the presence of the interactions, whose nature is not covalent nor hydrogen bonding according to infrared spectroscopy results. Interactions were also reflected by particle size analysis in which mixtures of particles displayed larger size than their pure component counterparts. Upon mixing with nonpolar molecules, the gushing ability of the protein is significantly disrupted.

  16. 40 CFR 721.2275 - N,N,N′,N′-Tetrakis(oxi-ranyl- methyl)-1,3-cyclohexane di-meth-anamine.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false N,N,Nâ²,Nâ²-Tetrakis(oxi-ranyl- methyl)-1,3-cyclohexane di-meth-anamine. 721.2275 Section 721.2275 Protection of Environment ENVIRONMENTAL...-cyclohexane di-meth-anamine. (a) Chemical substances and significant new uses subject to reporting. (1)...

  17. An asymmetric route to 2,3-epoxy-syn-1,4-cyclohexane diol derivatives using ring closing metathesis (RCM)

    Indian Academy of Sciences (India)

    Soumitra Maity; Subrata Ghosh

    2010-11-01

    An asymmetric route for the synthesis of highly functionalized 2,3-epoxy-syn-1,4-cyclohexane diol derivatives present in some polyketide natural products has been developed. The key step involves RCM of an appropriately constructed 1,7-dienol derived from D-mannitol to cyclohexane-1,4-diol followed by its stereoselective epoxidation.

  18. Theoretical exploration of MgH2 and graphene nano-flakes in cyclohexane: proposing a new perspective toward functional hydrogen storage material.

    Science.gov (United States)

    Liu, Runze; Zhao, Yinghe; Chu, Tianshu

    2015-02-11

    We studied the reaction mechanism of di-n-butylmagnesium decomposing into MgH2 in cyclohexane, and found a new route easier than famous β-hydride elimination. Further, we explored the dynamic behavior of graphene nano-flakes and MgH2 in cyclohexane, and gained new insights for efficient hydrogen storage material preparation.

  19. Catalytic Hydrodeoxygenation of Bio-oil Model Compounds over Pt/HY Catalyst

    Science.gov (United States)

    Lee, Heejin; Kim, Hannah; Yu, Mi Jin; Ko, Chang Hyun; Jeon, Jong-Ki; Jae, Jungho; Park, Sung Hoon; Jung, Sang-Chul; Park, Young-Kwon

    2016-06-01

    The hydrodeoxygenation of a model compound of lignin-derived bio-oil, guaiacol, which can be obtained from the pyrolysis of biomass to bio-oil, has attracted considerable research attention because of its huge potential as a substitute for conventional fuels. In this study, platinum-loaded HY zeolites (Pt/HY) with different Si/Al molar ratios were used as catalysts for the hydrodeoxygenation of guaiacol, anisole, veratrole, and phenol to a range of hydrocarbons, such as cyclohexane. The cyclohexane (major product) yield increased with increasing number of acid sites. To produce bio-oil with the maximum level of cyclohexane and alkylated cyclohexanes, which would be suitable as a substitute for conventional transportation fuels, the Si/Al molar ratio should be optimized to balance the Pt particle-induced hydrogenation with acid site-induced methyl group transfer. The fuel properties of real bio-oil derived from the fast pyrolysis of cork oak was improved using the Pt/HY catalyst.

  20. Effect of consumption of phenols from olives and extra virgin olive oil on LDL oxidizability in healthy humans

    NARCIS (Netherlands)

    Vissers, M.N.; Zock, P.L.; Leenen, R.; Roodenburg, A.J.C.; Putte, van K.P.A.M.; Katan, M.B.

    2001-01-01

    A high intake of olive oil has been proposed as an explanation for the low incidence of coronary heart disease in Mediterranean countries, but it is unclear whether olive oil offers specific benefits beyond a low content of saturated fat. Some types of extra virgin olive oil are rich in non-polar

  1. Effect of consumption of phenols from olives and extra virgin olive oil on LDL oxidizability in healthy humans

    NARCIS (Netherlands)

    Vissers, M.N.; Zock, P.L.; Leenen, R.; Roodenburg, A.J.C.; Putte, van K.P.A.M.; Katan, M.B.

    2001-01-01

    A high intake of olive oil has been proposed as an explanation for the low incidence of coronary heart disease in Mediterranean countries, but it is unclear whether olive oil offers specific benefits beyond a low content of saturated fat. Some types of extra virgin olive oil are rich in non-polar ph

  2. Deviations from sorption linearity on soils of polar and nonpolar organic compounds at low relative concentrations

    Science.gov (United States)

    Chiou, C.T.; Kile, D.E.

    1998-01-01

    A series of single-solute and binary-solute sorption data have been obtained on representative samples of polar compounds (substituted ureas and phenolic compounds) and of nonpolar compounds (e.g., EDB and TCE) on a peat soil and a mineral (Woodburn) soil; the data extend to low relative solute concentrations (C(e)/S(w)). At relatively low C(e)/S(w), both the nonpolar and the polar solutes exhibit nonlinear sorption. The sorption nonlinearity approaches apparent saturation at about C(e)/S(w) = 0.010-0.015 for the nonpolar solutes and at about C(e)/S(w) = 0.10-0.13 for the polar solutes; above these C(e)/S(w) regions, the isotherms are practically linear. The nonlinear sorption capacities are greater for polar solutes than for nonpolar solutes and the peat soil shows a greater effect than the Woodburn soil. The small nonlinear sorption capacity for a nonpolar solute is suppressed indiscriminately by either a nonpolar or a polar cosolute at relatively low C(e)/S(w) of the cosolute. By contrast, the abilities of different cosolutes to suppress the nonlinear capacity of a nominal polar solute differ drastically. For polar solutes, a nonpolar cosolute exhibits a limited suppression even at high cosolute C(e)/S(w); effective suppression occurs when the cosolute is relatively polar and at various C(e)/S(w). These differences suggest that more than a single mechanism is required to account for the nonlinear sorption of both nonpolar and polar compounds at low C(e)/S(w). Mechanistic processes consistent with these observations and with soil surface areas are discussed along with other suggested models. Some important consequences of the nonlinear competitive sorption to the behavior of contaminants in natural systems are discussed.A number of conceptual models was postulated to account for the nonlinear solute sorption on soils of significant soil organic matter. A series of single-solute and binary-route sorption data was obtained representing samples of polar compounds of

  3. Thermal diffusion factor for carbon tetrachloride-cyclohexane and benzene-n-heptane mixtures from thermogravitational column separation

    Energy Technology Data Exchange (ETDEWEB)

    Navarro, J.L.; Madariaga, J.A.; Santamaria, C.M.; Saviron, J.M.; Carrion, J.A.

    1985-01-01

    Measurements of the separation of liquid mixtures of n-heptane/benzene and carbon tetrachloride/cyclohexane in a thermogravitational column are reported. The results show that thermal diffusion columns of little mechanical precision can furnish suitable thermal diffusion factors when the diffusion coefficient, viscosity, density, and compressibility factor for the mixture are known. 23 references, 3 figures, 1 table.

  4. A novel approach for one-step forming ε-caprolactam from cyclohexane nitrozation catalyzed by transition metal salt

    Institute of Scientific and Technical Information of China (English)

    Li Qiu Mao; BO Hua Wu; Du Lin Yin; Kui Yi You; Ping Le Liu; He An Luo

    2007-01-01

    The nitrozation reaction of cyclohexane in one-step reaction to form ε-caprolactam has been studied using transition metal salt as catalysts in this work. The results indicated that the catalysts play an especially important role. This method is expected to be a novel way to synthesize other lactam by similar reaction. The possible mechanism was suggested.

  5. Photocatalytic Oxidation of Cyclohexane over TiO2: Evidence for a Mars−van Krevelen Mechanism

    NARCIS (Netherlands)

    Almeida, Ana Rita; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    Cyclohexane photocatalytic oxidation with 18O2 over anatase TiO2 was analyzed by in situ attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, to gain insight in the mechanistic steps of formation of cyclohexanone and deactivating carboxylate species, respectively. Cyclohex

  6. Efficient room temperature oxidation of cyclohexane over highly active hetero-mixed WO3/V2O5 oxide catalyst

    CSIR Research Space (South Africa)

    Makgwane, PR

    2014-09-01

    Full Text Available An efficient room temperature catalyzed oxidation of cyclohexane to cyclohexanone (K) and cyclohexanol (A) was achieved over hetero-mixed tungsten–vanadia (WO(sub3)/V(sub2)O(sub5)) using H(sub2)O(sub2) oxidant. WO(sub3)/V(sub2)O(sub5) exhibited high...

  7. Photo-catalytic oxidation of cyclohexane over TiO2: a novel interpretation of temperature dependent performance

    NARCIS (Netherlands)

    Almeida, A.R.; Berger, R.; Moulijn, J.A.; Mul, G.

    2010-01-01

    The rate of cyclohexane photo-catalytic oxidation to cyclohexanone over anatase TiO2 was studied at temperatures between 23 and 60ºC by in situ ATR-FTIR spectroscopy, and the kinetic parameters were estimated using a microkinetic model. At low temperatures, surface cyclohexanone formation is limited

  8. Photo-catalytic oxidation of cyclohexane over TiO2: a novel interpretation of temperature dependent performance

    NARCIS (Netherlands)

    Almeida, Ana Rita; Berger, Rob; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    The rate of cyclohexane photo-catalytic oxidation to cyclohexanone over anatase TiO2 was studied at temperatures between 23 and 60 °C by in situATR-FTIR spectroscopy, and the kinetic parameters were estimated using a microkinetic model. At low temperatures, surface cyclohexanone formation is limited

  9. Stepwise Swelling of a Thin Film of Lamellae-Forming Poly(styrene-b-butadiene) in Cyclohexane Vapor

    DEFF Research Database (Denmark)

    Di, Zhenyu; Posselt, Dorthe; Smilgies, Detlef-M.

    2012-01-01

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after eac...

  10. Kinetics and Mechanism of the Reaction of Coherently Synchronized Oxidation and Dehydrogenation of Cyclohexane by Hydrogen Peroxide

    Directory of Open Access Journals (Sweden)

    Aghamammadova S.

    2016-01-01

    Based on this experimental researches, the complex reaction, consisting of parallel-sequential oxidation and dehydrogenation reactions, which are coherently synchronized, proceeds during the process of cyclohexane oxidation with biomimetic catalyst. Depending on the reaction parameters it is possible to deliberately adjust the direction of oxidation reaction and reaction rate.

  11. Loss of volatile hydrocarbons from an LNAPL oil source

    Science.gov (United States)

    Baedecker, M.J.; Eganhouse, R.P.; Bekins, B.A.; Delin, G.N.

    2011-01-01

    The light nonaqueous phase liquid (LNAPL) oil pool in an aquifer that resulted from a pipeline spill near Bemidji, Minnesota, was analyzed for volatile hydrocarbons (VHCs) to determine if the composition of the oil remains constant over time. Oil samples were obtained from wells at five locations in the oil pool in an anaerobic part of the glacial outwash aquifer. Samples covering a 21-year period were analyzed for 25 VHCs. Compared to the composition of oil from the pipeline source, VHCs identified in oil from wells sampled in 2008 were 13 to 64% depleted. The magnitude of loss for the VHCs analyzed was toluene ≫ o-xylene, benzene, C6 and C10–12n-alkanes > C7–C9n-alkanes > m-xylene, cyclohexane, and 1- and 2-methylnaphthalene > 1,2,4-trimethylbenzene and ethylbenzene. Other VHCs including p-xylene, 1,3,5- and 1,2,3-trimethylbenzenes, the tetramethylbenzenes, methyl- and ethyl-cyclohexane, and naphthalene were not depleted during the time of the study. Water–oil and air–water batch equilibration simulations indicate that volatilization and biodegradation is most important for the C6–C9n-alkanes and cyclohexanes; dissolution and biodegradation is important for most of the other hydrocarbons. Depletion of the hydrocarbons in the oil pool is controlled by: the lack of oxygen and nutrients, differing rates of recharge, and the spatial distribution of oil in the aquifer. The mass loss of these VHCs in the 5 wells is between 1.6 and 7.4% in 29 years or an average annual loss of 0.06–0.26%/year. The present study shows that the composition of LNAPL changes over time and that these changes are spatially variable. This highlights the importance of characterizing the temporal and spatial variabilities of the source term in solute-transport models.

  12. Loss of volatile hydrocarbons from an LNAPL oil source

    Science.gov (United States)

    Baedecker, Mary Jo; Eganhouse, Robert P.; Bekins, Barbara A.; Delin, Geoffrey N.

    2011-11-01

    The light nonaqueous phase liquid (LNAPL) oil pool in an aquifer that resulted from a pipeline spill near Bemidji, Minnesota, was analyzed for volatile hydrocarbons (VHCs) to determine if the composition of the oil remains constant over time. Oil samples were obtained from wells at five locations in the oil pool in an anaerobic part of the glacial outwash aquifer. Samples covering a 21-year period were analyzed for 25 VHCs. Compared to the composition of oil from the pipeline source, VHCs identified in oil from wells sampled in 2008 were 13 to 64% depleted. The magnitude of loss for the VHCs analyzed was toluene ≫ o-xylene, benzene, C 6 and C 10-12n-alkanes > C 7-C 9n-alkanes > m-xylene, cyclohexane, and 1- and 2-methylnaphthalene > 1,2,4-trimethylbenzene and ethylbenzene. Other VHCs including p-xylene, 1,3,5- and 1,2,3-trimethylbenzenes, the tetramethylbenzenes, methyl- and ethyl-cyclohexane, and naphthalene were not depleted during the time of the study. Water-oil and air-water batch equilibration simulations indicate that volatilization and biodegradation is most important for the C 6-C 9n-alkanes and cyclohexanes; dissolution and biodegradation is important for most of the other hydrocarbons. Depletion of the hydrocarbons in the oil pool is controlled by: the lack of oxygen and nutrients, differing rates of recharge, and the spatial distribution of oil in the aquifer. The mass loss of these VHCs in the 5 wells is between 1.6 and 7.4% in 29 years or an average annual loss of 0.06-0.26%/year. The present study shows that the composition of LNAPL changes over time and that these changes are spatially variable. This highlights the importance of characterizing the temporal and spatial variabilities of the source term in solute-transport models.

  13. Nanosecond flash photolysis of unsymmetrical phenol-substituted calix[4]arene in cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Feng Wen; Yuan Lihua [Sichuan Univ., Chengdu (China); Yao Side; Wang Wenfeng [Academia Sinica, Shanghai Institute of Nuclear Research, Shanghai (China)

    2000-03-01

    In the present paper the laser flash photolysis study of an unsymmetrical hindered phenol-substituted calix[4]arene(UPCA[4]OH) at 248 nm was carried out in cyclohexane at room temperature. The transient absorption spectra of UPCA[4]OH displayed two main absorption maxima at ca.330 nm and 520 nm with different grow and decay kinetics, and initial peak at 520 nm was assigned to the triplet state of the solute and the other peak at 330 nm was due to unsymmetrical phenol-substituted calix[4]aryloxyl radical. According to the kinetic analysis, the mechanism of the formation of the triplet and the calix[4]aryloxyl radical has been proposed. (author)

  14. Catalytic scope of the thiamine-dependent multifunctional enzyme cyclohexane-1,2-dione hydrolase.

    Science.gov (United States)

    Loschonsky, Sabrina; Waltzer, Simon; Fraas, Sonja; Wacker, Tobias; Andrade, Susana L A; Kroneck, Peter M H; Müller, Michael

    2014-02-10

    The thiamine diphosphate (ThDP)-dependent enzyme cyclohexane-1,2-dione hydrolase (CDH) was expressed in Escherichia coli and purified by affinity chromatography (Ni-NTA). Recombinant CDH showed the same C-C bond-cleavage and C-C bond-formation activities as the native enzyme. Furthermore, we have shown that CDH catalyzes the asymmetric cross-benzoin reaction of aromatic aldehydes and (decarboxylated) pyruvate (up to quantitative conversion, 92-99 % ee). CDH accepts also hydroxybenzaldehydes and nitrobenzaldehydes; these previously have not (or only in rare cases) been known as substrates of other ThDP-dependent enzymes. On a semipreparative scale, sterically demanding 4-(tert-butyl)benzaldehyde and 2-naphthaldehyde were transformed into the corresponding 2-hydroxy ketone products in high yields. Additionally, certain benzaldehydes with electron withdrawing substituents were identified as potential inhibitors of the ligase activity of CDH.

  15. Cyclohexane Rings Reduce Membrane Permeability to Small Ions in Archaea-Inspired Tetraether Lipids.

    Science.gov (United States)

    Koyanagi, Takaoki; Leriche, Geoffray; Onofrei, David; Holland, Gregory P; Mayer, Michael; Yang, Jerry

    2016-01-26

    Extremophile archaeal organisms overcome problems of membrane permeability by producing lipids with structural elements that putatively improve membrane integrity compared to lipids from other life forms. Herein, we describe a series of lipids that mimic some key structural features of archaeal lipids, such as: 1) single tethering of lipid tails to create fully transmembrane tetraether lipids and 2) the incorporation of small rings into these tethered segments. We found that membranes formed from pure tetraether lipids leaked small ions at a rate that was about two orders of magnitude slower than common bilayer-forming lipids. Incorporation of cyclopentane rings into the tetraether lipids did not affect membrane leakage, whereas a cyclohexane ring reduced leakage by an additional 40 %. These results show that mimicking certain structural features of natural archaeal lipids results in improved membrane integrity, which may help overcome limitations of many current lipid-based technologies.

  16. Heterogeneous biomimetic catalysis using iron porphyrin for cyclohexane oxidation promoted by chitosan

    Science.gov (United States)

    Huang, Guan; Liu, Yao; Cai, Jing Li; Chen, Xiang Feng; Zhao, Shu Kai; Guo, Yong An; Wei, Su Juan; Li, Xu

    2017-04-01

    This study investigates how ligands modulate metalloporphyrin activity with the goal of producing a practical biomimetic catalyst for use in the chemical industry. We immobilized iron porphyrinate [iron-tetrakis-(4-sulfonatophenyl)-porphyrin; Fe(III) (TPPS)] on powdered chitosan (pd-CTS) to form an immobilized catalyst Fe(III) (TPPS)/pd-CTS, which was characterized using modern spectroscopic techniques and used for catalytic oxidation of cyclohexane with O2. Amino coordination to iron porphyrin in Fe(III) (TPPS)/pd-CTS altered the electron cloud density around the iron cation, probably by reducing the activation energy of Fe(III) (TPPS) and raising the reactivity of the iron ion catalytic center, thereby improving the catalytic efficiency. One milligram of Fe(III) (TPPS) catalyst can be reused three times for the oxidation reaction to yield an average of 22.9 mol% of cyclohexanone and cyclohexanol.

  17. An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution

    Science.gov (United States)

    Rizzo, Antonio; Frediani, Luca; Ruud, Kenneth

    2007-10-01

    Using a recently developed quadratic response methodology for the calculation of frequency-dependent third-order properties of molecules in solution, we investigate the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution. These systems are chosen since accurate experimental data are available, allowing for a direct comparison of experimental observations with our theoretical estimates. Our model for describing the solvent effects is based on a dielectric continuum approach for the solvent, and uses a molecule-shaped cavity. Our results show qualitatively different Buckingham constants and effective quadrupole centers calculated with and without the solvent, and only when the solvent is included are the qualitative trends observed experimentally reproduced. It is demonstrated that a significant part of this effect arises from the geometry relaxation of the molecules in the solvent.

  18. Simulation of Nonpolar p-GaN/i-N/n-GaN Solar Cells

    Directory of Open Access Journals (Sweden)

    Ming-Jer Jeng

    2012-01-01

    Full Text Available It is well known that nitride-based devices suffer the polarization effects. A promising way to overcome the polarization effects is growth in a direction perpendicular to the c-axis (nonpolar direction. Nonpolar devices do not suffer polarization charge, and then they have a chance to achieve the high solar efficiency. The understanding of the solar performance of non-polar InGaN-based solar cells will be interesting. For a pin non-polar solar cell with GaN p- and n-cladding layers, the conduction band offset (or barrier height, between an intrinsic layer and n-GaN layer is an important issue correlating to the efficiency and fill factor. The efficiency and fill factor will be seriously degraded due to sufficiently high barrier height. To reduce a high barrier height, some graded layers with an energy bandgap between the energy bandgap of n-GaN and InxGa1−xN intrinsic layer can be inserted to the interface of n-GaN and InxGa1-xN layers. From simulation, it indicates that the insertion of graded layer is an effective method to lower energy barrier when there exists a high energy band offset in non-polar nitride devices.

  19. Large organized surface domains self-assembled from nonpolar amphiphiles.

    Science.gov (United States)

    Krafft, Marie Pierre

    2012-04-17

    unambiguously demonstrated the presence of surface micelles in monolayers of diblocks prior to LB transfer for atomic force microscopy imaging. We characterized an almost perfect two-dimensional crystal, with 12 assignable diffraction peaks, which established that self-assembly and regular nanopatterning were not caused by transfer or induced by the solid support. These experiments also provide the first direct identification of surface micelles on water, and the first identification of such large-size domains using GISAXS. Revisiting Langmuir film compression behavior after we realized that it actually was a compression of nanometric objects led to further unanticipated observations. These films could be compressed far beyond the documented film "collapse", eventually leading to the buildup of two superimposed, less-organized bilayers of diblocks on top of the initially formed monolayer of hemimicelles. Remarkably, the latter withstood the final, irreversible collapse of the composite films. "Gemini" tetrablocks, di(FnHm), with two Fn-chains and two Hm-chains, provided two superposed layers of discrete micelles, apparently the first example of thin films made of stacked discrete self-assembled nanoobjects. Decoration of solid surfaces with domains of predetermined size of these small "nonpolar" molecules is straightforward. Initial examples of applications include deposition of metal dots and catalytic oxidation of CO, and nanopatterning of SiO(2) films.

  20. Passive Sampling in Regulatory Chemical Monitoring of Nonpolar Organic Compounds in the Aquatic Environment

    DEFF Research Database (Denmark)

    Booij, Kees; Robinson, Craig D; Burgess, Robert M;

    2016-01-01

    We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths and shor...... is the best available technology for chemical monitoring of nonpolar organic compounds. Key issues to be addressed by scientists and environmental managers are outlined.......We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths...... and shortcomings of passive sampling are assessed for water, sediments, and biota. Passive water sampling is a suitable technique for measuring concentrations of freely dissolved compounds. This method yields results that are incompatible with the EU's quality standard definition in terms of total concentrations...

  1. Investigation of the Phase Equilibria and Interfacial Properties for Non-polar Fluids

    Institute of Scientific and Technical Information of China (English)

    付东; 赵毅

    2005-01-01

    A self-consistent density-functional theory (DFT) was applied to investigate the phase behavior and interfacial properties of non-polar fluids. For the bulk phases, the theory was reduced to the statistical associating fluid theory(SAFF) that provides accurate descriptions of vapor-liquid phase diagrams below the critical region. The phase diagrams in the critical region were corrected by the renormalization group theory (RGT). The density profile in the surface was obtained by minimizing the grand potential. With the same set of molecular parameters, both the phase equilibria and the interfacial properties of non-polar fluids were investigated satisfactorily.

  2. Reference Correlation of the Thermal Conductivity of Cyclohexane from the Triple Point to 640 K and up to 175 MPa

    Science.gov (United States)

    Koutian, A.; Assael, M. J.; Huber, M. L.; Perkins, R. A.

    2017-03-01

    New, wide-range reference equations for the thermal conductivity of cyclohexane as a function of temperature and density are presented. The equations are based in part upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory whenever possible. We estimate the uncertainty (at the 95% confidence level) for the thermal conductivity of cyclohexane from the triple point (279.86 K) to 650 K at pressures up to 175 MPa to be 4% for the compressed liquid and supercritical phases. For the low-pressure gas phase (up to 0.1 MPa) over the temperature range 280-680 K, the estimated uncertainty is 2.5%. Uncertainties in the critical region are much larger, since the thermal conductivity approaches infinity at the critical point and is very sensitive to small changes in density.

  3. Gold nanoparticles supported on mesoporous silica: origin of high activity and role of Au NPs in selective oxidation of cyclohexane

    Science.gov (United States)

    Wu, Pingping; Bai, Peng; Yan, Zifeng; Zhao, George X. S.

    2016-01-01

    Homogeneous immobilization of gold nanoparticles (Au NPs) on mesoporous silica has been achieved by using a one-pot synthesis method in the presence of organosilane mercapto-propyl-trimethoxysilane (MPTMS). The resultant Au NPs exhibited an excellent catalytic activity in the solvent-free selective oxidation of cyclohexane using molecular oxygen. By establishing the structure-performance relationship, the origin of the high activity of mesoporous supported Au catalyst was identified to be due to the presence of low-coordinated Au (0) sites with high dispersion. Au NPs were confirmed to play a critical role in the catalytic oxidation of cyclohexane by promoting the activation of O2 molecules and accelerating the formation of surface-active oxygen species.

  4. Passive sampling in regulatory chemical monitoring of nonpolar organic compounds in the aquatic environment

    NARCIS (Netherlands)

    Booij, K.; Robinson, C.D.; Burgess, R.M.; Mayer, P.; Roberts, C.A.; Ahrens, L.; Allan, I.J.; Brant, J.; Jones, L.; Kraus, U.R.; Larsen, M.M.; Lepom, P.; Petersen, J.; Pröfrock, D.; Roose, P.; Schäfer, S.; Smedes, F.; Tixier, C.; Vorkamp, K.; Whitehouse, P.

    2016-01-01

    We reviewed compliance monitoring requirements in the EuropeanUnion, the United States, and the Oslo-Paris Convention for the protection of themarine environment of the North-East Atlantic, and evaluated if these are met bypassive sampling methods for nonpolar compounds. The strengths andshortcoming

  5. Determinatin of the Dipole Moment of Polar Compounds in Nonpolar Solvents.

    Science.gov (United States)

    Janini, George M.; Katrib, Ali H.

    1983-01-01

    Proposes a simple experiment based on the procedure of Guggenheim and Smith for the determinatin of the dipole moments of two isomeric compounds in nonpolar solvents. Provides background information, laboratory procedures, sample data, results of least squares analysis and discussion of results. (JM)

  6. Thermal-cycling-induced spectral diffusion and thermal barriers in anisole-doped cyclohexane, an unusual multiphase host-guest system.

    Science.gov (United States)

    Somoza, Mark M; Friedrich, Josef

    2006-09-28

    The host-guest system of anisole incorporated into a cyclohexane matrix was investigated in a series of hole-burning experiments. This system is unusual in that cyclohexane can freeze into coexisting solid phases. The hole-burning experiments support the existence of two crystalline phases and one disordered phase. A second surprising characteristic of this system is that the quasi-line absorption features of the spectra appear inverted at low temperature because of unexpected dominance of fluorescence and phosphorescence.

  7. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C6H12 Cyclohexane (VMSD1211, LB3566_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Trichloromethane CHCl3 + C6H12 Cyclohexane (VMSD1211, LB3566_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  8. Hydrogenation of cyclohexene with LaNi5−xAlxHn metal hydrides suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Versteeg, G.F.; Swaaij, W.P.M. van

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available i

  9. Hydrogenation of cyclohexene with LaNi5-xAlxHn metal hydrides, suspended in cyclohexane or ethanol

    NARCIS (Netherlands)

    Snijder, E.D.; Versteeg, G.F.; Swaaij, van W.P.M.

    1993-01-01

    The hydrogenation of cyclohexene on the metal hydride forming alloys LaNi4.8Al0.2, LaNi4.9Al0.1 and LaNi5, all suspended in cyclohexane and LaNi5 suspended in ethanol, has been investigated. Two sources for hydrogen are recognized: hydrogen supplied by the gas phase and hydrogen which is available i

  10. Surface chemistry and electronic structure of nonpolar and polar GaN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, T.C. Shibin; Aggarwal, Neha; Gupta, Govind, E-mail: govind@nplindia.org

    2015-08-01

    Highlights: • Surface chemistry and electronic structure of polar and nonpolar GaN is reported. • Influence of polarization on electron affinity of p & np GaN films is investigated. • Correlation between surface morphology and polarity has been deduced. - Abstract: Photoemission and microscopic analysis of nonpolar (a-GaN/r-Sapphire) and polar (c-GaN/c-Sapphire) epitaxial gallium nitride (GaN) films grown via RF-Molecular Beam Epitaxy is reported. The effect of polarization on surface properties like surface states, electronic structure, chemical bonding and morphology has been investigated and correlated. It was observed that polarization lead to shifts in core level (CL) as well as valence band (VB) spectra. Angle dependent X-ray Photoelectron Spectroscopic analysis revealed higher surface oxide in polar GaN film compared to nonpolar GaN film. On varying the take off angle (TOA) from 0° to 60°, the Ga−O/Ga−N ratio varied from 0.11–0.23 for nonpolar and 0.17–0.36 for polar GaN film. The nonpolar film exhibited N-face polarity while Ga-face polarity was perceived in polar GaN film due to the inherent polarization effect. Polarization charge compensated surface states were observed on the polar GaN film and resulted in downward band bending. Ultraviolet photoelectron spectroscopic measurements revealed electron affinity and ionization energy of 3.4 ± 0.1 eV and 6.8 ± 0.1 eV for nonpolar GaN film and 3.8 ± 0.1 eV and 7.2 ± 0.1 eV for polar GaN film respectively. Field Emission Scanning Electron Microscopy measurements divulged smooth morphology with pits on polar GaN film. The nonpolar film on the other hand showed pyramidal structures having facets all over the surface.

  11. Comparison of column phase configurations for comprehensive two dimensional gas chromatographic analysis of crude oil and bitumen

    Energy Technology Data Exchange (ETDEWEB)

    Tran, T.C.; Harynuk, J.; Marriott, P. [RMIT University, Melbourne (Australia). Dept. of Applied Chemistry; Logan, G.A.; Grosjean, E. [Geoscience Australia, Canberra (Australia); Ryan, D. [Charles Sturt University, Wagga Wagga (Australia). School of Science and Technology

    2006-09-15

    An inverted phase (polar to non-polar) column set has been compared with a non-polar to polar column set for the GC x GC separation of petroleum hydrocarbons. This column configuration is shown to provide greatly enhanced resolution for less polar compounds and makes greater use of the two dimensional separation space. It improves resolution of a greater number of components within one analysis and offers new possibilities for crude oil fingerprinting. (Author)

  12. Solar-thermal energy conversion and storage: cyclohexane dehydrogenation. Progress report, 30 September 1977-30 June 1978

    Energy Technology Data Exchange (ETDEWEB)

    Ritter, A.B.; DeLancey, G.B.; Schneider, J.; Silla, H.

    1978-07-01

    The objective of this project is to provide research support for the benzene/cyclohexane heat pipe development program at Sandia. The kinetics of the cyclohexane decomposition (energy collection) reaction over a commercially available naphtha reforming catalyst (RD-150, Englehard Industries) in the temperature range 400 to 800/sup 0/F and pressures of 1 to 40 atmospheres were measured. Significant amounts of side products such as toluene and butane were identified at temperatures above 550/sup 0/F at atmospheric pressure and significant mass transfer limitations on conversions were observed at the higher space velocities and higher temperatures. No significant decreases in catalyst activity were measured at temperatures below 800/sup 0/F. However, at 800/sup 0/F there was a significant decrease in catalyst activity which does not appear to be a poisoning problem but a thermal limitation on catalyst effectiveness. A test facility has been fabricated to study the behavior of the benzene/cyclohexane (or any other gas phase catalytic reaction) system and its catalysts under long term cycling at temperatures up to 1000/sup 0/F, and pressures up to 1000 psig at a wide variety of space velocities. A mathematical model was developed which simulates the dynamic behavior of the collector (endothermic) reactor and allows the evaluation of such things as startup, shutdown, switching and process control algorithms.

  13. Synthesis and Characterization of Thermally Stable Photocurable Polymer with Cyclohexane Moiety.

    Science.gov (United States)

    Kim, Dong Mm; Yu, Seong Hun; Lee, Jun Young

    2016-03-01

    Photocurable polymers with high transparency and thermal stability were synthesized by reaction between a commercial epoxy resin (NC9110) containing cyclohexane moiety and various kinds of cinnamic acids such as trans-cinnamic acid (CA), 3-hydroxy-trans-cinnamic acid (HCA) and 4-methoxy-trans-cinnamic acid (MCA). The photocurable polymers were synthesized with equal equivalent weight ratio of epoxy and cinnamate group. The chemical structures of the synthesized polymers were confirmed by 1H-NMR and FT-IR spectroscopies. Optical transmittance and thermal stability of the photocured polymers were investigated using UV-Visible spectroscopy and thermogravimetric analysis (TGA), respectively. It was confirmed that the polymers could form thin films with very smooth surface and could be efficiently cured by UV irradiation. It was also found that the polymer after curing showed a good thermal stability and optical transmittance. There was no significant transmittance change after heat treatment at 250 degrees C for 1 h and showed no noticeable weight loss up to 360 degrees C.

  14. Geminate recombination kinetics of solute radical ions. Singlet excited state formation in cyclohexane solutions of biphenyl

    Science.gov (United States)

    Tagawa, S.; Washio, M.; Tabata, Y.; Kobayashi, H.

    Transient absorption spectra of the solute anion, cation and triplet state and the solute fluorescence in the pulse radiolysis of 0.1 mole 1 -1 biphenyl in cyclohexane were observed on a nanosecond timescale longer than 1 ns after a 20 ps pulse. The formation of the solute excited singlet state is mainly due to the geminate ion recombination reaction even in the high concentrated solutions. The decay of the solute ions obeys the reciprocal square root dependence on time longer than 10 ns from the end of a 10 ps pulse. The slope of this reciprocal square root plots agrees with the literature value on a longer timescale obtained by microwave absorption. The yield of free ions obtained from the intercept of the slope agrees also with the literature values obtained by the field clearing method. Ratio of the formation rate of the solute excited triplet state to the decay rate of the solute anion changes in a time range between 5 and 20 ns. It is very well correlated with a theoretical calculation of spin correlation decay of the germinate ion pairs by Brocklehurst, although the formation of the solute triplet state was observed even on a timescale shorter than 5 ns from the end of a 20 ps pulse, where loss of spin correlation is negligibly small.

  15. Cyclohexyl Ketone Inhibitors of Pin1 Dock in a Trans-Diaxial Cyclohexane Conformation

    Science.gov (United States)

    Xu, Guoyan G.; Slebodnick, Carla; Etzkorn, Felicia A.

    2012-01-01

    Cyclohexyl ketone substrate analogue inhibitors (Ac–pSer-Ψ[C = OCH]-Pip–tryptamine) of Pin1, the cell cycle regulatory peptidyl-prolyl isomerase (PPIase), were designed and synthesized as potential electrophilic acceptors for the Pin1 active site Cys113 nucleophile to test a proposed nucleophilic addition-isomerization mechanism. Because they were weak inhibitors, models of all three stereoisomers were docked into the active site of Pin1. Each isomer consistently minimized to a trans-diaxial cyclohexane conformation. From this, we hypothesize that Pin1 stretches substrates into a trans-pyrrolidine conformation to lower the barrier to isomerization. Our reduced amide inhibitor of Pin1 adopted a similar trans-pyrrolidine conformation in the crystal structure. The molecular model of 1, which mimics the l-Ser-l-Pro stereochemistry, in the Pin1 active site showed a distance of 4.4 Å, and an angle of 31° between Cys113-S and the ketone carbon. The computational models suggest that the mechanism of Pin1 PPIase is not likely to proceed through nucleophilic addition. PMID:23028504

  16. Cyclohexyl ketone inhibitors of Pin1 dock in a trans-diaxial cyclohexane conformation.

    Directory of Open Access Journals (Sweden)

    Guoyan G Xu

    Full Text Available Cyclohexyl ketone substrate analogue inhibitors (Ac-pSer-Ψ[C = OCH]-Pip-tryptamine of Pin1, the cell cycle regulatory peptidyl-prolyl isomerase (PPIase, were designed and synthesized as potential electrophilic acceptors for the Pin1 active site Cys113 nucleophile to test a proposed nucleophilic addition-isomerization mechanism. Because they were weak inhibitors, models of all three stereoisomers were docked into the active site of Pin1. Each isomer consistently minimized to a trans-diaxial cyclohexane conformation. From this, we hypothesize that Pin1 stretches substrates into a trans-pyrrolidine conformation to lower the barrier to isomerization. Our reduced amide inhibitor of Pin1 adopted a similar trans-pyrrolidine conformation in the crystal structure. The molecular model of 1, which mimics the l-Ser-l-Pro stereochemistry, in the Pin1 active site showed a distance of 4.4 Å, and an angle of 31° between Cys113-S and the ketone carbon. The computational models suggest that the mechanism of Pin1 PPIase is not likely to proceed through nucleophilic addition.

  17. Aroylhydrazone Cu(II Complexes in keto Form: Structural Characterization and Catalytic Activity towards Cyclohexane Oxidation

    Directory of Open Access Journals (Sweden)

    Manas Sutradhar

    2016-03-01

    Full Text Available The reaction of the Schiff base (3,5-di-tert-butyl-2-hydroxybenzylidene-2-hydroxybenzohydrazide (H3L with a copper(II salt of a base of a strong acid, i.e., nitrate, chloride or sulphate, yielded the mononuclear complexes [Cu(H2L(NO3(H2O] (1, [Cu(H2LCl]·2MeOH (2 and the binuclear complex [{Cu(H2L}2(µ-SO4]·2MeOH (3, respectively, with H2L− in the keto form. Compounds 1–3 were characterized by elemental analysis, Infrared (IR spectroscopy, Electrospray Ionisation Mass Spectrometry (ESI-MS and single crystal X-ray crystallography. All compounds act as efficient catalysts towards the peroxidative oxidation of cyclohexane to cyclohexyl hydroperoxide, cyclohexanol and cyclohexanone, under mild conditions. In the presence of an acid promoter, overall yields (based on the alkane up to 25% and a turnover number (TON of 250 (TOF of 42 h−1 after 6 h, were achieved.

  18. Inhibition effects in the partial oxidation of cyclohexane on polymer supported Co(II catalysts

    Directory of Open Access Journals (Sweden)

    MAJA ODOVIC

    2005-02-01

    Full Text Available Polymer supported catalysts with different contents of metal ions where synthesized by wet impregnation of the degassed support from ethanolic solutions of cobalt(II nitrate. Amacroreticular copolymer of poly-4-vinylpyridine with divinylbenzene was used as the support. The prepared catalysts were tested in the partial oxidation of cyclohexane to cyclohexanol and cyclohexanone. Activity tests were performed in a stainless steel, laboratory scale, stirred autoclave, in the semi batch regime under isothermal and non-isothermal conditions. Isothermal experiments where performed at 170 °C for 120 min. In the non-isothermal conditions. isothermal experiments where performed at 170 °C for 120 min. In the non-isothermal experiments, a constant heating rate of 0.3 degree/min was used in the range between 110 °C and 170 °C. Non-linear, least-squares analysis with the simplex optimization method and numerical simulation of the reaction model in each iterative step was used for the kinetic characterization of the process in a non-stationary, semi-batch regime. Apparent rate constants were obtained as an invariant measure of the catalytic system. Anon-linear effect of the content of metal ions on the reaction rate and on the ratio of the yield of the products was observed, which is attributed to a complex interactions between the reaction medium and the heterogeneous catalyst, including a catalyst-inhibition effect.

  19. Effects of Ultrasonic Waves on Vapor-Liquid Equilibrium of Cyclohexane/Benzene

    Directory of Open Access Journals (Sweden)

    Siti Kholijah Abdul Mudalip

    2011-01-01

    Full Text Available Separation of azeotropic mixtures is one of the most challenging separation processes in chemical industry. Special separation techniques such as azeotropic and extractive distillation are required to separate these mixtures. In this work, an innovative technique which incorporates ultrasonic waves during separation of Cyclohexane (Chx/ Benzene (Bz via distillation process was explored. The effects of ultrasonic wave at different intensities at 50, 100, 200 and 250 W/A.cm2 and at a fixed frequency of 40 kHz on vapor-liquid equilibrium (VLE of Chx/ Bz were investigated. Studies were also done to examine the effects of ultrasonic frequencies on the VLE data at 25 and 68 kHz. It was found that ultrasonic waves at 100 W/A.cm2 intensity and 25 kHz frequency gave the highest relative volatility, α at 2.505 and completely eliminated the azeotropic point. The results revealed that ultrasonic waves had potential to favourably manipulate α, and hence, the VLE of Chx/ Bz.

  20. Cyclo-hexa-peptides at the water/cyclohexane interface: a molecular dynamics simulation.

    Science.gov (United States)

    Cen, Min; Fan, Jian Fen; Liu, Dong Yan; Song, Xue Zeng; Liu, Jian; Zhou, Wei Qun; Xiao, He Ming

    2013-02-01

    Molecular dynamic (MD) simulations have been performed to study the behaviors of ten kinds of cyclo-hexa-peptides (CHPs) composed of amino acids with the diverse hydrophilic/hydrophobic side chains at the water/cyclohexane interface. All the CHPs take the "horse-saddle" conformations at the interface and the hydrophilicity/hydrophobicity of the side chains influences the backbones' structural deformations. The orientations and distributions of the CHPs at the interface and the differences of interaction energies (ΔΔE) between the CHPs and the two liquid phases have been determined. RDF analysis shows that the H-bonds were formed between the O(C) atoms of the CHPs' backbones and H(w) atoms of water molecules. N atoms of the CHPs' backbones formed the H-bonds or van der Waals interactions with the water solvent. It was found that there is a parallel relationship between ΔΔE and the lateral diffusion coefficients (D ( xy )) of the CHPs at the interface. The movements of water molecules close to the interface are confined to some extent, indicating that the dynamics of the CHPs and interfacial water molecules are strongly coupled.

  1. Study of kinetics of degradation of cyclohexane carboxylic acid by acclimated activated sludge.

    Science.gov (United States)

    Wang, Chunhua; Shi, Shuian; Chen, Hongyan

    2016-01-01

    Activated sludge contains complex microorganisms, which are highly effective biodegrading agents. In this study, the kinetics of biodegradation of cyclohexane carboxylic acid (CHCA) by an acclimated aerobic activated sludge were investigated. The results showed that after 180 days of acclimation, the activated sludge could steadily degrade >90% of the CHCA in 120 h. The degradation of CHCA by the acclimated activated sludge could be modeled using a first-order kinetics equation. The equations for the degradation kinetics for different initial CHCA concentrations were also obtained. The kinetics constant, kd, decreased with an increase in the CHCA concentration, indicating that, at high concentrations, CHCA had an inhibiting effect on the microorganisms in the activated sludge. The effects of pH on the degradation kinetics of CHCA were also investigated. The results showed that a pH of 10 afforded the highest degradation rate, indicating that basic conditions significantly promoted the degradation of CHCA. Moreover, it was found that the degradation efficiency for CHCA increased with an increase in temperature and concentration of dissolved oxygen under the experimental conditions.

  2. Contribution to the study of molecular movements in cyclohexane by electron spin resonance and electron-nuclear double resonance using a radical probe; Contribution a l'etude des mouvements moleculaires dans le cyclohexane par resonance paramagnetique electronique et double resonance electronique-nucleaire a l'aide d'une sonde radicalaire

    Energy Technology Data Exchange (ETDEWEB)

    Volino, F. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    Solutions of stable free radicals of the nitroxide type have been studied as a function of temperature. In the plastic or globular state, the cyclohexane molecules have rapid rotational and diffusional movements. They transmit this movement to dissolved free radicals. Conversely, measurements by electron spin resonance of the absolute movement of the radicals, and by electron nuclear double resonance of their movement relative to the cyclohexane molecules give very precise methods for local analyses of the movement present in the cyclohexane matrix. The principle of these techniques makes up the 'radical probe method'. (author) [French] Des solutions de radicaux libres stables, du type nitroxyde dans le cyclohexane ont ete etudiees, en fonction de la temperature. Les molecules de cyclohexane, dans l'etat plastique ou globulaire, sont animees de mouvements rapides de rotation sur elles-memes et de diffusion. Elles transmettent leur mobilite aux radicaux libres dissous. Reciproquement, la mesure du mouvement absolu des radicaux, a l'aide de la resonance paramagnetique electronique, et celle du mouvement relatif des radicaux et des molecules de cyclohexane par double resonance electronique-nucleaire, constituent des methodes tres precises pour analyser localement les mouvements presents dans la matrice de cyclohexane. Ce principe et ces techniques constituent la 'methode de la sonde radicalaire'. (auteur)

  3. Strong guest binding by cyclodextrin hosts in competing nonpolar solvents and the unique crystalline structure.

    Science.gov (United States)

    Kida, Toshiyuki; Iwamoto, Takuya; Fujino, Yoshinori; Tohnai, Norimitsu; Miyata, Mikiji; Akashi, Mitsuru

    2011-09-02

    6-O-Modified β-cyclodextrins, such as heptakis(6-O-triisopropylsilyl)-β-cyclodextrin (TIPS-β-CD) and heptakis(6-O-tert-butyldimethylsilyl)-β-cyclodextrin (TBDMS-β-CD), formed 2:1 inclusion complexes with pyrene in benzene and cyclohexane with high association constants. The X-ray crystalline structure of the TIPS-β-CD-pyrene complex obtained from the benzene solution showed that one pyrene molecule was incorporated in the form of a sandwich-type complex with two benzene molecules within the cavity of the dimer formed by two TIPS-β-CD molecules.

  4. Insulin adsorption on crystalline SiO2: Comparison between polar and nonpolar surfaces using accelerated molecular-dynamics simulations

    Science.gov (United States)

    Nejad, Marjan A.; Mücksch, Christian; Urbassek, Herbert M.

    2017-02-01

    Adsorption of insulin on polar and nonpolar surfaces of crystalline SiO2 (cristobalite and α -quartz) is studied using molecular dynamics simulation. Acceleration techniques are used in order to sample adsorption phase space efficiently and to identify realistic adsorption conformations. We find major differences between the polar and nonpolar surfaces. Electrostatic interactions govern the adsorption on polar surfaces and can be described by the alignment of the protein dipole with the surface dipole; hence spreading of the protein on the surface is irrelevant. On nonpolar surfaces, on the other hand, van-der-Waals interaction dominates, inducing surface spreading of the protein.

  5. Quantum theory of interfacial tension quantitatively predicts spontaneous charging of nonpolar aqueous interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Fernández, Ariel, E-mail: ariel@afinnovation.com [Argentine Institute of Mathematics (I. A. M.), National Research Council (CONICET), Buenos Aires 1083 (Argentina); Collegium Basilea – Institute for Advanced Study, Basel CH4053 (Switzerland)

    2015-10-16

    The spontaneous negative charging of aqueous nonpolar interfaces has eluded quantitative first-principle prediction, possibly because it steadfastly challenges the classical Debye dielectric picture. In this work we show that quantitative prediction requires a substantive revision of Debye's linear dielectric ansatz to incorporate an anomalous polarization component yielding electrostatic energy stored as interfacial tension and detailed enough to account for the differences in electronic structure between water and its ionized states. The minimization of this interfacial tension is due to a quantum effect resulting in the reduction in hydrogen-bond frustration that takes place upon hydroxide ion adsorption. The quantitative predictions are validated vis-à-vis measurements of the free energy change associated with hydroxide adsorption obtained using sum-frequency vibrational spectroscopy. - Highlights: • Spontaneous charging of aqueous nonpolar interfaces challenges Debye dielectrics. • A quantum non-Debye theory of interfacial tension is developed. • The minimization of the interfacial tension promotes hydroxide ion adsorption.

  6. Influence of oxygen in architecting large scale nonpolar GaN nanowires

    CERN Document Server

    Patsha, Avinash; Pandian, Ramanathaswamy; Dhara, S

    2015-01-01

    Manipulation of surface architecture of semiconducting nanowires with a control in surface polarity is one of the important objectives for nanowire based electronic and optoelectronic devices for commercialization. We report the growth of exceptionally high structural and optical quality nonpolar GaN nanowires with controlled and uniform surface morphology and size distribution, for large scale production. The role of O contamination (~1-10^5 ppm) in the surface architecture of these nanowires is investigated with the possible mechanism involved. Nonpolar GaN nanowires grown in O rich condition show the inhomogeneous surface morphologies and sizes (50 - 150 nm) while nanowires are having precise sizes of 40(5) nm and uniform surface morphology, for the samples grown in O reduced condition. Relative O contents are estimated using electron energy loss spectroscopy studies. Size-selective growth of uniform nanowires is also demonstrated, in the O reduced condition, using different catalyst sizes. Photoluminescen...

  7. Vertical nonpolar growth templates for light emitting diodes formed with GaN nanosheets

    Science.gov (United States)

    Yeh, Ting-Wei; Lin, Yen-Ting; Ahn, Byungmin; Stewart, Lawrence S.; Daniel Dapkus, P.; Nutt, Steven R.

    2012-01-01

    We demonstrate that nonpolar m-plane surfaces can be generated on uniform GaN nanosheet arrays grown vertically from the (0001)-GaN bulk material. InGaN/GaN multiple quantum wells (MQWs) grown on the facets of these nanosheets are demonstrated by cross-sectional transmission electron microscopy. Owing to the high aspect ratio of the GaN nanosheet structure, the MQWs predominantly grow on nonpolar GaN planes. The results suggest that GaN nanosheets provide a conduction path for device fabrication and also a growth template to reduce the piezoelectric field inside the active region of InGaN-based light emitting diodes.

  8. Electrokinetics of Polar Liquids in Contact with Non-Polar Surfaces

    CERN Document Server

    Lin, Chih-Hsiu; Chaudhury, Manoj K

    2014-01-01

    Zeta potentials of several polar protic (water, ethylene glycol, formamide) as well as polar aprotic (dimethyl sulfoxide) liquids were measured in contact with three non-polar surfaces using closed-cell electro-osmosis. The test surfaces were chemisorbed monolayers of alkyl siloxanes, fluoroalkyl siloxanes and polydimethylsiloxanes (PDMS) grafted on glass slides. All these liquids exhibited substantial electrokinetics in contact with the non-polar surfaces with these observations: the electrokinetic effect on the fluorocarbon-coated surface is the strongest; and on a PDMS grafted surface, the effect is the weakest. Even though these hygroscopic liquids contain small amounts of water, the current models of charging based on the adsorption of hydroxide ions at the interface or the dissociation of preexisting functionalities (e.g., silanol groups) appear to be insufficient to account for the various facets of the experimental observations. The results illustrate how ubiquitous the phenomenon of electro-kinetics ...

  9. Stable and efficient colour enrichment powders of nonpolar nanocrystals in LiCl

    Science.gov (United States)

    Erdem, Talha; Soran-Erdem, Zeliha; Sharma, Vijay Kumar; Kelestemur, Yusuf; Adam, Marcus; Gaponik, Nikolai; Demir, Hilmi Volkan

    2015-10-01

    In this work, we propose and develop the inorganic salt encapsulation of semiconductor nanocrystal (NC) dispersion in a nonpolar phase to make a highly stable and highly efficient colour converting powder for colour enrichment in light-emitting diode backlighting. Here the wrapping of the as-synthesized green-emitting CdSe/CdZnSeS/ZnS nanocrystals into a salt matrix without ligand exchange is uniquely enabled by using a LiCl ionic host dissolved in tetrahydrofuran (THF), which simultaneously disperses these nonpolar nanocrystals. We studied the emission stability of the solid films prepared using NCs with and without LiCl encapsulation on blue LEDs driven at high current levels. The encapsulated NC powder in epoxy preserved 95.5% of the initial emission intensity and stabilized at this level while the emission intensity of NCs without salt encapsulation continuously decreased to 34.7% of its initial value after 96 h of operation. In addition, we investigated the effect of ionic salt encapsulation on the quantum efficiency of nonpolar NCs and found the quantum efficiency of the NCs-in-LiCl to be 75.1% while that of the NCs in dispersion was 73.0% and that in a film without LiCl encapsulation was 67.9%. We believe that such ionic salt encapsulated powders of nonpolar NCs presented here will find ubiquitous use for colour enrichment in display backlighting.In this work, we propose and develop the inorganic salt encapsulation of semiconductor nanocrystal (NC) dispersion in a nonpolar phase to make a highly stable and highly efficient colour converting powder for colour enrichment in light-emitting diode backlighting. Here the wrapping of the as-synthesized green-emitting CdSe/CdZnSeS/ZnS nanocrystals into a salt matrix without ligand exchange is uniquely enabled by using a LiCl ionic host dissolved in tetrahydrofuran (THF), which simultaneously disperses these nonpolar nanocrystals. We studied the emission stability of the solid films prepared using NCs with and

  10. Broadband non-polarizing terahertz beam splitters with variable split ratio

    KAUST Repository

    Wei, Minggui

    2017-08-15

    Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

  11. Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions.

    Science.gov (United States)

    Ballal, Deepti; Venkataraman, Pradeep; Fouad, Wael A; Cox, Kenneth R; Chapman, Walter G

    2014-08-14

    Intermolecular potential models for water and alkanes describe pure component properties fairly well, but fail to reproduce properties of water-alkane mixtures. Understanding interactions between water and non-polar molecules like alkanes is important not only for the hydrocarbon industry but has implications to biological processes as well. Although non-polar solutes in water have been widely studied, much less work has focused on water in non-polar solvents. In this study we calculate the solubility of water in different alkanes (methane to dodecane) at ambient conditions where the water content in alkanes is very low so that the non-polar water-alkane interactions determine solubility. Only the alkane-rich phase is simulated since the fugacity of water in the water rich phase is calculated from an accurate equation of state. Using the SPC/E model for water and TraPPE model for alkanes along with Lorentz-Berthelot mixing rules for the cross parameters produces a water solubility that is an order of magnitude lower than the experimental value. It is found that an effective water Lennard-Jones energy ε(W)/k = 220 K is required to match the experimental water solubility in TraPPE alkanes. This number is much higher than used in most simulation water models (SPC/E-ε(W)/k = 78.2 K). It is surprising that the interaction energy obtained here is also higher than the water-alkane interaction energy predicted by studies on solubility of alkanes in water. The reason for this high water-alkane interaction energy is not completely understood. Some factors that might contribute to the large interaction energy, such as polarizability of alkanes, octupole moment of methane, and clustering of water at low concentrations in alkanes, are examined. It is found that, though important, these factors do not completely explain the anomalously strong attraction between alkanes and water observed experimentally.

  12. A comparative DFT study of the structural and electronic properties of nonpolar GaN surfaces

    Energy Technology Data Exchange (ETDEWEB)

    González-Hernández, Rafael, E-mail: rhernandezj@uninorte.edu.co [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia); González-García, Alvaro [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia); Barragán-Yani, Daniel [Fachgebiet Material modellierung, Institut für Materialwissenschaft, Technische Universität Darmstadt, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); López-Pérez, William [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia)

    2014-09-30

    Highlights: • A comparative analysis of the geometry and the electronic characteristics of nonpolar GaN surfaces was carried out. • Surface energies are too low for LDA, but lower still for GGA and MGGA functionals, except for PBEsol. • PBEsol exhibits good lattice parameters and surface energies. • Surface intra-gap states reduce the band gap of the nonpolar GaN surfaces. • Slight changes in the dispersion of surface states were observed for the LDA, GGA, and MGGA functionals. - Abstract: A comparative analysis of the geometry and the electronic characteristics of nonpolar GaN surfaces was carried out using density-functional theory (DFT) with different approximations for the exchange-correlation energy (LDA, PBE, PBEsol, RPBE, TPSS, revTPSS, and HSE). The obtained data show that the GaN(101{sup ¯}0) (m-plane) is more energetically stable than the GaN(112{sup ¯}0) (a-plane) surface. However, these surfaces have similar surface relaxation geometry, with a Ga-N surface bond-length contraction of around 6–7% and a Ga-N surface rotational angle in the range of 6–9°. Our results show that the use of different exchange-correlation functionals does not significantly change the surface energy and surface geometry. In addition, we found the presence of surface intra-gap states that reduce the band gap of the nonpolar GaN surface with respect to the bulk value, in agreement with recent photoelectron and surface optical spectroscopy experiments.

  13. Contact angles and wettability of ionic liquids on polar and non-polar surfaces.

    Science.gov (United States)

    Pereira, Matheus M; Kurnia, Kiki A; Sousa, Filipa L; Silva, Nuno J O; Lopes-da-Silva, José A; Coutinho, João A P; Freire, Mara G

    2015-12-21

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation-anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation-anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application.

  14. Contact angles and wettability of ionic liquids on polar and non-polar surfaces†

    Science.gov (United States)

    Sousa, Filipa L.; Silva, Nuno J. O.; Lopes-da-Silva, José A.; Coutinho, João A. P.; Freire, Mara G.

    2016-01-01

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation–anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation–anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application. PMID:26554705

  15. Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

    DEFF Research Database (Denmark)

    Medvedev, Oleg; Shapiro, Alexander

    2005-01-01

    The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only...... components and to only one parameter for mixtures consisting of non-polar components. A possibility of complete prediction of the parameters is discussed....

  16. Hydrophobic monolayered nanoflakes of tungsten oxide: coupled exfoliation and fracture in a nonpolar organic medium.

    Science.gov (United States)

    Honda, Masashi; Oaki, Yuya; Imai, Hiroaki

    2015-06-21

    Coupled exfoliation and fracture induced formation of hydrophobic monolayered nanoflakes in a nonpolar organic medium. The hydrophobic monolayered nanoflakes 5-20 nm in lateral size consisted of a tungstate layer with surface modification by stearylammonium ions (C18H37NH3)0.397 H0.603Cs3W11O35·xH2O (x < 0.625).

  17. A HIGH SENSITIVE MICROWAVE MEASURING DEVICE OF THE MOISTURE CONTENT IN THE NON-POLAR DIELECTRIC LIQUIDS BASED ON AN INHOMOGENEOUS STEP COAXIAL RESONATOR

    Directory of Open Access Journals (Sweden)

    V. V. Rudakov

    2016-11-01

    Full Text Available Purpose. Objective is to create a moisture meter for non-polar liquid dielectrics with low volumetric moisture content of more than 10‑3 %. Methodology. Moisture measuring is based on dielcometric method. It is implemented as a resonant method of determining a capacitance measuring transducer. Measuring transducer capacitive type has a working and parasitic capacitance. It was suggested the definition of moisture on four of resonance frequencies: when the measuring transducer is turned off, one by one filled with air, «dry» and investigated liquid, to determine the parasitic capacitance of the measuring generator, and the parasitic capacitance of the measuring transducer and humidity. Measurement frequency was increased up to microwave range to increase the sensitivity. Measuring transducer with distributed parameters representing a step heterogeneous coaxial resonator is used by. This measuring transducer has a zero stray capacitance, because the potential electrode has a galvanic connection with an external coaxial electrode. Inductive ties loop is used to neglect parasitic capacitance of the measuring generator, and to increase the quality factor of the system. Measuring moisture is reduced to measuring the two frequencies of resonance frequency and «dry» and investigated liquid. Resonant characteristics transducer in a step inhomogeneous coaxial resonator have been investigated to determine the quality factor of filled with air and transformer oil, and experiments to measure the moisture content in transformer oil have been conducted. Results. Measuring transducer of distributed type is developed and researched – it is step inhomogeneous coaxial resonator. It has a smaller geometric length and larger scatter of the first and second resonant frequencies. Expression is obtained for determination of moisture on the basis of two resonant frequencies. The formula of the two frequencies to determine the moisture is correct. Resonant

  18. Electric Charge Accumulation in Polar and Non-Polar Polymers under Electron Beam Irradiation

    Science.gov (United States)

    Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

    The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula.

  19. Enhanced UV detection by non-polar epitaxial GaN films

    Energy Technology Data Exchange (ETDEWEB)

    Mukundan, Shruti; Chandan, Greeshma; Mohan, Lokesh; Krupanidhi, S. B., E-mail: sbk@mrc.iisc.ernet.in [Materials Research Centre, Indian Institute of Science, Bangalore (India); Roul, Basanta [Materials Research Centre, Indian Institute of Science, Bangalore (India); Central Research Laboratory, Bharat Electronics, Bangalore (India); Shetty, Arjun [Department of Electrical Communication Engineering, Indian Institute of Science, Bangalore (India)

    2015-12-15

    Nonpolar a-GaN (11-20) epilayers were grown on r-plane (1-102) sapphire substrates using plasma assisted molecular beam epitaxy. High resolution x-ray diffractometer confirmed the orientation of the grown film. Effect of the Ga/N ratio on the morphology and strain of a-GaN epilayers was compared and the best condition was obtained for the nitrogen flow of 1 sccm. Atomic force microscopy was used to analyze the surface morphology while the strain in the film was quantitatively measured using Raman spectroscopy and qualitatively analyzed by reciprocal space mapping technique. UV photo response of a-GaN film was measured after fabricating a metal-semiconductor-metal structure over the film with gold metal. The external quantum efficiency of the photodetectors fabricated in the (0002) polar and (11-20) nonpolar growth directions were compared in terms of responsivity and nonpolar GaN showed the best sensitivity at the cost of comparatively slow response time.

  20. Chemical etching behaviors of semipolar (11̄22) and nonpolar (11̄20) gallium nitride films.

    Science.gov (United States)

    Jung, Younghun; Baik, Kwang Hyeon; Mastro, Michael A; Hite, Jennifer K; Eddy, Charles R; Kim, Jihyun

    2014-08-14

    Wet chemical etching using hot KOH and H3PO4 solutions was performed on semipolar (11̄22) and nonpolar (11̄20) GaN films grown on sapphire substrates. An alternating KOH/H3PO4/KOH etch process was developed to control the orientation of the facets on the thin-film surface. The initial etch step in KOH produced c- and m-plane facets on the surface of both semipolar (11̄22) and nonpolar (11̄20) GaN thin-films. A second etch step in H3PO4 solution additionally exposed a (̄1̄12̄2) plane, which is chemically stable in H3PO4 solution. By repeating the chemical etch with KOH solution, the m-plane facets as seen in the original KOH etch step were recovered. The etching methods developed in our work can be used to control the surface morphologies of nonpolar and semipolar GaN-based optoelectronic devices such as light-emitting diodes and solar cells.

  1. Enhanced sensing of nonpolar volatile organic compounds by silicon nanowire field effect transistors.

    Science.gov (United States)

    Paska, Yair; Stelzner, Thomas; Christiansen, Silke; Haick, Hossam

    2011-07-26

    Silicon nanowire field effect transistors (Si NW FETs) are emerging as powerful sensors for direct detection of biological and chemical species. However, the low sensitivity of the Si NW FET sensors toward nonpolar volatile organic compounds (VOCs) is problematic for many applications. In this study, we show that modifying Si NW FETs with a silane monolayer having a low fraction of Si-O-Si bonds between the adjacent molecules greatly enhances the sensitivity toward nonpolar VOCs. This can be explained in terms of an indirect sensor-VOC interaction, whereby the nonpolar VOC molecules induce conformational changes in the organic monolayer, affecting (i) the dielectric constant and/or effective dipole moment of the organic monolayer and/or (ii) the density of charged surface states at the SiO(2)/monolayer interface. In contrast, polar VOCs are sensed directly via VOC-induced changes in the Si NW charge carriers, most probably due to electrostatic interaction between the Si NW and polar VOCs. A semiempirical model for the VOC-induced conductivity changes in the Si NW FETs is presented and discussed.

  2. The Effect of Sulphate Doping on Nanosized TiO2 and MoOx/TiO2 Catalysts in Cyclohexane Photooxidative Dehydrogenation

    Directory of Open Access Journals (Sweden)

    P. Ciambelli

    2008-01-01

    Full Text Available The effect of sulphate doping of titania in promoting activity and selectivity of MoOx/TiO2 catalysts for the cyclohexane photooxidative dehydrogenation has been investigated in a gas-solid fluidized bed reactor. Sulphate and/or molybdate-modified titania catalysts were prepared by incipient wet impregnation of nanosized (5–10 nm crystallite size samples. At 60% of titania surface coverage by MoOx, sulphate surface density was obtained up to 19 μmol/m2 without formation of MoO3. The catalysts were characterized by N2 adsorption-desorption at −196∘C, micro-Raman and UV-visible reflectance spectroscopy, thermogravimetric analysis coupled with mass spectroscopy (TG-MS, and mass titration. Unsulphated and sulphated titania are both active in cyclohexane total oxidation, but sulphate doping of titania has a detrimental effect on the reaction rate. On Mo-based catalysts, polymolybdate species enabled sulphated titania to convert cyclohexane to benzene (99% selectivity and cyclohexene, reducing at zero the formation of CO2. Cyclohexane conversion to benzene is almost linearly dependent on sulphate surface density, resulting in enhanced yield to benzene. The enhanced photooxidative dehydrogenation activity and benzene yield by sulphate doping could be attributed to the increase of surface acidity and, as a consequence, of cyclohexane adsorption.

  3. (1S*,2S*,4R*,5R*-Cyclohexane-1,2,4,5-tetracarboxylic acid

    Directory of Open Access Journals (Sweden)

    Akira Uchida

    2014-01-01

    Full Text Available The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclohexane ring adopts a chair conformation. Two crystallographycally independent carboxylic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O—H...O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R22(8 motif and a trimer with an R33(12 motif.

  4. Catalytic oxidation of cyclohexane to cyclohexanone and cyclohexanol by tert-butyl hydroperoxide over Pt/oxide catalysts

    Indian Academy of Sciences (India)

    I Rekkab-Hammoumraoui; A Choukchou-Braham; L Pirault-Roy; C Kappenstein

    2011-08-01

    Heterogeneous oxidation of cyclohexane with tertiobutyl hydroperoxide was carried out on Pt/oxide (Al2O3, TiO2 and ZrO2) catalysts in the presence of different solvents (acetic acid and acetonitrile). The catalysts were prepared using Pt(NH3)2(NO2)2 as a precursor and characterized by chemical analysis using the ICP–AES method, XRD, TEM, FTIR and BET surface area determination. The oxidation reaction was carried out at 70°C under atmospheric pressure. The results showed the catalytic performance of Pt/Al2O3 as being very high in terms of turnover frequency.

  5. 4,4′-Bipyridine–cyclohexane-1,2,4,5-tetracarboxylic acid (1/1

    Directory of Open Access Journals (Sweden)

    Jian-Qiang Liu

    2010-11-01

    Full Text Available In the title 1:1 adduct, C10H8N2·C10H12O8, the dihedral angle between the pyridine rings in the 4,4-bipyridine molecule is 8.33 (13°. In the crystal, the cyclohexane-1,2,4,5-tetracarboxylic acid molecules interact with each other through intermolecular O—H...O hydrogen bonds, forming an infinite chain along the a axis, which is further linked perpendicularly by O—H...N hydrogen bonds involving bipyridine, resulting in a supramolecular corrugated sheet parallel to the (110 plane.

  6. Oxidation Of Cyclohexane To Cyclohexanol And Cyclohexanone Using H4[α-SiW12O40]/Zr As Catalyst

    Directory of Open Access Journals (Sweden)

    Aldes Lesbani

    2016-05-01

    Full Text Available Synthesis and preparation of polyoxometalate H4[α-SiW12O40].nH2O with Zr as support at various weights of Zr 0.01g; 0.05 g; 0.25 g; 0.5 g; 0.75 g; 1 g and 1.25 g to form H4[α- SiW12O40]/Zr was conducted. The compounds from preparation were characterized using FTIR spectroscopy and crystallinity analysis using X-Ray diffraction. Thus H4[α- SiW12O40]/Zr was applied as catalyst for oxidation of cyclohexane to cyclohexanol and cyclohexanone. Oxidation process was studied through reaction time, hydrogen peroxide amount, temperature, and weight of catalyst. FTIR spectrum of H4[α-SiW12O40]/Zr was appeared at wavenumber 771.53-979.84 cm-1 and Zr at 486.06-1481.33 cm-1. Diffraction pattern of H4[α-SiW12O40]/Zr showed that high crystallinity was identified at 2θ 8o-10o and 28.3o. Based on FTIR spectrum and XRD powder pattern, the optimum preparation of H4[α-SiW12O40]/Zr was obtained using 0.5 g of Zr. The catalytic study of cyclohexane using H4[α-SiW12O40]/Zr at 0.5 g of Zr resulted conversion about 99.73%. Catalyst can convert cyclohexane with the highest conversion then used for further deep catalytic investigation. Optimization of oxidation process resulted optimum reaction time at 2 h, 3 mL of hydrogen peroxide amount, 80 oC of temperature, and 0.038 g of catalyst. The GCMS analysis indicated the oxidation of cyclohexane using H4[α-SiW12O40]/Zr at 0.5 g of Zr formed cyclohexanol and cyclohexanone with selectivity 18.77 and 23.57, respectively.

  7. Evaluation of Excess Thermodynamic Parameters in a Binary Liquid Mixture (Cyclohexane + O-Xylene at Different Temperatures

    Directory of Open Access Journals (Sweden)

    K. Narendra

    2010-01-01

    Full Text Available The ultrasonic velocity, density and viscosity in binary liquid mixture cyclohexane with o-xylene have been determined at different temperatures from 303.15 to 318.15 K over the whole composition range. The data have been utilized to estimate the excess adiabatic compressibility (βE, excess volumes (VE, excess intermolecular free length (LfE, excess internal pressure (πE and excess enthalpy (HE at the above temperatures. The excess values have been found to be useful in estimating the strength of the interactions in the liquid mixtures. Analysis of these parameters indicates that there are weak interactions among the components of the binary mixtures.

  8. Evaluation of various techniques for separation of non-polar modifier concentrates from petroleum waxy by-products

    Directory of Open Access Journals (Sweden)

    Fathi S. Soliman

    2014-09-01

    Full Text Available Two petroleum waxy by-products (light and middle slack wax crudes were evaluated for separation of non-polar modifiers by using different techniques. The results showed that, the light slack wax is selected as a suitable wax for separation of n-alkanes with even number of carbon atoms ranging from C20 to C26 for their high n-paraffin contents and can be used as non-polar structural modifiers. Different separation techniques; multistage fractional crystallization and liquid–solid chromatography; followed by the urea adduction technique have been used to separate non-polar modifier concentrates from the light slack wax crude. The light slack wax, its saturate components, the hard wax fractions isolated from light slack wax by the multistage fractional crystallization technique and their adducts were analyzed by GC to characterize and compare the produced components. The resulting data reveal that, the adducts of light slack wax and its saturate components; can be used as non-polar modifier concentrates of low carbon atoms (C20 + C22. From an economic point of view, the light slack wax adduct is selected as a non-polar modifier concentrate whereas, the separation step can be neglected to save energy. Meanwhile, the adduct of the hard wax isolated at 30 °C can be used as the preferable non-polar modifier concentrate of the high carbon number atoms (C24 + C26.

  9. 微管内环己烷无催化氧化工艺条件对产物分布影响研究%Effects of Process Conditions on Products Distribution of Cyclohexane Non-Catalytic Oxidation in Microcapillary

    Institute of Scientific and Technical Information of China (English)

    刘懿; 朱明乔; 王磊; 陈新志; 卢建刚

    2016-01-01

    环己醇、环己酮是生产己内酰胺的原料,环己烷通过氧化反应制备上述原料的反应过程在安全性和时空收率等方面仍有挑战。今利用微通道的优异的安全和传热传质性能,采用氧气作为氧化剂,考察内径1 mm,长度5 m的不锈钢微管内环己烷无催化氧化反应的性能,重点考察了不同工艺条件,包括反应温度、反应压力、气液摩尔比和反应停留时间对环己烷氧化性能的影响。在180℃,压力1.5 MPa,氧气与环己烷的摩尔比为0.3:1,停留时间为1.5 min时,环己烷的转化率为3.93%,环己醇的选择性为23.39%,环己酮的选择性为35.95%,己二酸的选择性为26.71%,环己基过氧化氢选择性为4.78%。实验表明,微管内环己烷无催化氧化是可行的,且有一定的效果,尤其是反应时间短且安全性高,为慢反应在微管内的反应提供了借鉴。%Cyclohexanone and cyclohexanol are important raw materials for caprolactam production, and their production from non-catalytic oxidation of cyclohexane still has problems in safety and time space yield. In this paper, non-catalytic oxidation of cyclohexane was investigated in a microcapillary reactor which was made by a stainless steel tube with diameter of 1 mm and length of 5 m. Such tubes have good safety records and excellent mass and heat transfer properties. Effects of temperature, pressure, gas-liquid molar ratio and residence time on catalytic performance were studied. When the reaction is couducted under conditions of temperature 180℃, pressure 1.5 MPa, gas-liquid molar ratio 0.3 and residence time 1.5 min, the results show that the conversion of the non-catalytic cyclohexane oxidation is 3.93%, and the selectivities of cyclohexanol, cyclohexanone, adipic acid and CHHP are 23.39%, 35.95%, 26.71% and 4.78%, respectively. This study indicates that cyclohexane non-catalytic oxidation in microcapillary tubes to produce KA oil is

  10. Catalytic oxidation of cyclohexane over meta-aluminic acid supported iron meso-tetra (4-caboxylpheny1) porphyrin%偏铝酸四(4-羧基)苯基铁卟啉催化氧化环己烷

    Institute of Scientific and Technical Information of China (English)

    罗宗昌; 黄冠; 彭艳; 蔡景莉; 宁星星; 蒋月秀; 危素娟

    2012-01-01

    为考察偏铝酸[MAA]负载四(4-羧基)苯基铁卟啉[Fe TCPP]选择性催化氧化环己烷生成环己酮和环已醇(K/A油)的能力,采用溶胶-凝胶-煅烧法制备了偏铝酸负载四(4-羧基)苯基铁卟啉[Fe TCPP/MAA]催化剂,采用紫外(UV-Vis)、傅立叶红外(FT-IR)、X射线衍射(XRD)、热重分析(TG)以及透射电镜(TEM)等技术手段对该固体催化材料进行结构表征.研究其在无外加溶剂和助催化剂的条件下选择性催化空气氧化环己烷生成K/A油的产率.结果显示:在较优的催化条件下(155℃和0.8 MPa),用仅含1.14×10-6mol四(4-羧基)苯基铁卟啉的负载催化剂,既可回收又可重复有效催化11次,平均的环己烷转化率达到13.6%,K/A油的产率为10.8%,转化数为2.4 ×105,比未负载的四(4-羧基)苯基铁卟啉催化效率高11倍,也比当今工业用钴盐催化空气氧化环己烷生产环己酮和环己醇的收率(3.2%)高.%To investigate the catalytic ability of iron meso-tetra (4-carboxylphenyl) porphyrin ( Fe TCPP) supported on meta aluminic acid (MAA) for selective oxidation of cyclohexane to cyclo-hexanone and cyclohexanol (K/A oil) , Fe TCPP/MAA was prepared via a method of gelation and calcination and characterized by the techniques of UV-Visible spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction, Thermogravimetric analysis, Transmission electron microscopy. The catalytic oxidation of cyclohexane with air was carried out in absence of any solvent and co-catalyst. The results show that with a quantity of catalyst containing only 1. 14 × 10-6mol of Fe TCPP, 13. 6 % of average conversion rate, 10. 8 % of yield (K/A oil) and a catalyst turnover number of 2. 4 × 105 were reached under the optimum reaction conditions of 155 ℃ and 0.8 MPa. The catalytic efficiency of the supported catalyst is 11 times higher than that of Fe TCPP and the yield of K/A oil is higher than that obtained from the cyclohexane oxidation (3. 2 % ) by

  11. Heavy Oil Process Monitor: Automated On-Column Asphaltene Precipitation and Re-Dissolution

    Energy Technology Data Exchange (ETDEWEB)

    John F. Schabron; Joseph F. Rovani; Mark Sanderson

    2007-03-31

    An automated separation technique was developed that provides a new approach to measuring the distribution profiles of the most polar, or asphaltenic components of an oil, using a continuous flow system to precipitate and re-dissolve asphaltenes from the oil. Methods of analysis based on this new technique were explored. One method based on the new technique involves precipitation of a portion of residua sample in heptane on a polytetrafluoroethylene-packed (PTFE) column. The precipitated material is re-dissolved in three steps using solvents of increasing polarity: cyclohexane, toluene, and methylene chloride. The amount of asphaltenes that dissolve in cyclohexane is a useful diagnostic of the thermal history of oil, and its proximity to coke formation. For example, about 40 % (w/w) of the heptane asphaltenes from unpyrolyzed residua dissolves in cyclohexane. As pyrolysis progresses, this number decrease to below 15% as coke and toluene insoluble pre-coke materials appear. Currently, the procedure for the isolation of heptane asphaltenes and the determination of the amount of asphaltenes soluble in cyclohexane spans three days. The automated procedure takes one hour. Another method uses a single solvent, methylene chloride, to re-dissolve the material that precipitates on heptane on the PTFE-packed column. The area of this second peak can be used to calculate a value which correlates with gravimetric asphaltene content. Currently the gravimetric procedure to determine asphaltenes takes about 24 hours. The automated procedure takes 30 minutes. Results for four series of original and pyrolyzed residua were compared with data from the gravimetric methods. Methods based on the new on-column precipitation and re-dissolution technique provide significantly more detail about the polar constituent's oils than the gravimetric determination of asphaltenes.

  12. Influence of the radio-frequency power on the physical and optical properties of plasma polymerized cyclohexane thin films

    Energy Technology Data Exchange (ETDEWEB)

    Manaa, C., E-mail: chadlia.el.manaa@gmail.com [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); Lejeune, M. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Kouki, F. [Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); Durand-Drouhin, O. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens CEDEX 2 (France); Bouchriha, H. [Laboratoire des Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); and others

    2014-06-02

    We investigate in the present study the effects of the radio-frequency plasma power on the opto-electronical properties of the polymeric amorphous hydrogenated carbon thin films deposited at room temperature and different radio-frequency powers by plasma-enhanced chemical vapor deposition method using cyclohexane as precursor. A combination of U.V.–Visible and infrared transmission measurements is applied to characterize the bonding and electronic properties of these films. Some film properties namely surface roughness, contact angle, surface energy, and optical properties are found to be significantly influenced by the radio-frequency power. The changes in these properties are analyzed within the microstructural modifications occurring during growth. - Highlights: • Effects of the radio-frequency power on the optoelectronic properties of thin films • Elaboration of plasma polymerized thin films using cyclohexane as precursor gas • The use of U.V.–Visible-infrared transmission, and optical gap • Study of the surface topography of the films by using Atomic Force microscopy • The use of a capacitively coupled plasma enhanced chemical vapor deposition method.

  13. Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

    Science.gov (United States)

    Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

    2016-11-01

    We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

  14. Decomposition of cyclohexane ion induced by intense femtosecond laser fields by ion-trap time-of-flight mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Yamazaki, Takao; Watanabe, Yusuke; Kanya, Reika [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Yamanouchi, Kaoru, E-mail: kaoru@chem.s.u-tokyo.ac.jp [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); NANOQUINE, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2016-01-14

    Decomposition of cyclohexane cations induced by intense femtosecond laser fields at the wavelength of 800 nm is investigated by ion-trap time-of-flight mass spectrometry in which cyclohexane cations C{sub 6}H{sub 12}{sup +} stored in an ion trap are irradiated with intense femtosecond laser pulses and the generated fragment ions are recorded by time-of-flight mass spectrometry. The various fragment ion species, C{sub 5}H{sub n}{sup +} (n = 7, 9), C{sub 4}H{sub n}{sup +} (n = 5–8), C{sub 3}H{sub n}{sup +} (n = 3–7), C{sub 2}H{sub n}{sup +} (n = 2–6), and CH{sub 3}{sup +}, identified in the mass spectra show that decomposition of C{sub 6}H{sub 12}{sup +} proceeds efficiently by the photo-irradiation. From the laser intensity dependences of the yields of the fragment ion species, the numbers of photons required for producing the respective fragment ions are estimated.

  15. Stepwise swelling of a thin film of lamellae-forming poly(styrene-b- butadiene) in cyclohexane vapor

    KAUST Repository

    Di, Zhenyu

    2012-06-26

    We investigated the swelling of a thin film of lamellae-forming poly(styrene-b-butadiene) in cyclohexane vapor. The vapor pressure and thus the degree of swelling of the film are increased in a stepwise manner using a custom-built sample cell. The resulting structural changes during and after each step were followed in situ using time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). During the first step, the lamellar thickness increases strongly, before it decreases again. At the same time, the full width at half-maximum (FWHM) of the diffuse Bragg reflection along the film normal has a sharp maximum. These observations point to the formation of new lamellae. During the subsequent swelling steps, the lamellar thickness overshoots only weakly. The behavior thus resembles qualitatively our previous results on a similar thin film during swelling in saturated vapor of cyclohexane; however, it deviates from earlier theoretical predictions. We propose a theory that is quantitatively correct for the description of the dependence of the lamellar thickness on the polymer volume fraction in the late stage of the swelling steps. © 2012 American Chemical Society.

  16. Synthesis, Structural Characterization and Biological Activity of Novel Cyclohexane-1,3-dione Ligands and Their Metal Complexes

    Directory of Open Access Journals (Sweden)

    Nevin Turan

    2015-05-01

    Full Text Available Some new Zn(II and Cu(II complexes [Cu(L1(OAc2]∙H2O, [Cu(L1(NO3H2O]∙NO3∙3.5H2O, [Zn(L1(NO32]∙4.5H2O, [Zn(L1(OAc2(H2O2]∙3H2O, [Cu2(L2(OAc4]∙2H2O∙2DMF, [Cu(L22]∙2NO3∙1.5DMF∙H2O, [Zn(L22(NO32]∙DMF and [Zn2(L2(OAc4(H2O4]∙5H2O; L1 = 2-[2-(2-methoxyphenylhydrazono]cyclohexane-1,3-dione and L2 = 2-[2-(3-nitrophenylhydrazono]cyclohexane-1,3-dione were synthesized and characterized by IR, 1H-NMR,13C-NMR and ultraviolet (UV-Vis. spectroscopy, elemental analysis, magnetic susceptibility, mass spectrometry and thermogravimetry-differential thermal analysis (TGA-DTA. The synthesized ligands and their complexes were tested for antibacterial activity against Escherichia coli ATCC 25922, Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 25923, and Salmonella typhimurium CCM 583. Some of complexes showed medium-level antibacterial activity against the test bacteria compared with ampicillin.

  17. Vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria calculations for polystyrene plus methyleyclohexane and polystyrene plus cyclohexane solutions

    DEFF Research Database (Denmark)

    Wilczura-Wachnik, H.; Jonsdottir, Svava Osk

    2006-01-01

    This paper presents the vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria predictions for polystyrene in two theta solvents: cyclohexane and methylcyclohexane. VLE calculations were performed with the Elbro free volume method and a modified version of the PC-SAFT method, as well...... as with three UNIFAC type group contribution models: Entropic Free Volume + UNIFAC VLE 1 coeff., Entropic Free Volume + UNIFAC VLE 2coeff., and Oishi-Prausnitz + UNIFAC VLE 2coeff. Solvent activities were calculated for the polystyrene + cyclohexane and polystyrene + methylcyclohcxane solutions, and compared...

  18. A detailed study on chemical characterization of essential oil components of two Plectranthus species grown in Saudi Arabia

    OpenAIRE

    2016-01-01

    The chemical composition of the essential oils of Plectranthus cylindraceus and Plectranthus arabicus grown in Saudi Arabia were analyzed using gas chromatography techniques (GC–MS, GC–FID, Co-GC, LRI determination, and database and literature searches) using two different stationary phase columns (polar and nonpolar). The analysis led to the characterization of a total of 157 different compounds from both oils. In the oil derived from P. cylindraceus, 79 compounds were identified, whereas 13...

  19. Nonpolar and semipolar InGaN/GaN multiple-quantum-well solar cells with improved carrier collection efficiency

    Science.gov (United States)

    Huang, Xuanqi; Fu, Houqiang; Chen, Hong; Zhang, Xiaodong; Lu, Zhijian; Montes, Jossue; Iza, Michael; DenBaars, Steven P.; Nakamura, Shuji; Zhao, Yuji

    2017-04-01

    We demonstrate the nonpolar and semipolar InGaN/GaN multiple-quantum-well (MQW) solar cells grown on the nonpolar m-plane and semipolar ( 20 2 ¯ 1 ) plane bulk GaN substrates. The optical properties and photovoltaic performance of the nonpolar and semipolar InGaN solar cells were systematically studied, and the results were compared to the conventional polar c-plane devices. The absorption spectra, current density-voltage (J-V) characteristics, external quantum efficiency (EQE), and internal quantum efficiency (IQE) were measured for nonpolar m-plane, semipolar ( 20 2 ¯ 1 ) plane, and polar c-plane InGaN/GaN MQW solar cells. Nonpolar m-plane InGaN/GaN MQW solar cells showed the best performance across all devices, with a high open-circuit voltage of 2.32 V, a low bandgap-voltage offset of 0.59 V, and the highest EQE and IQE. In contrast, the polar c-plane device showed the lowest EQE despite the highest absorption spectra. This huge difference is attributed to the better carrier transport and collection on nonpolar m-plane devices due to the reduced polarization effects, which were further confirmed by bias-dependent EQE measurements and energy band diagram simulations. This study demonstrates the high potential of nonpolar and semipolar InGaN solar cells and can serve as guidance for the future design and fabrication of high efficiency III-nitride solar cells.

  20. In Vitro Anticancer Activity of a Nonpolar Fraction from Gynostemma pentaphyllum (Thunb.) Makino

    Science.gov (United States)

    Li, Yantao; Huang, Jiajun; Lin, Wanjun; Yuan, Zhongwen; Feng, Senling; Xie, Ying; Ma, Wenzhe

    2016-01-01

    Gynostemma pentaphyllum (Thunb.) Makino (GpM) has been widely used in traditional Chinese medicine (TCM) for the treatment of various diseases including cancer. Most previous studies have focused primarily on polar fractions of GpM for anticancer activities. In this study, a nonpolar fraction EA1.3A from GpM showed potent growth inhibitory activities against four cancer cell lines with IC50 ranging from 31.62 μg/mL to 38.02 μg/mL. Furthermore, EA1.3A also inhibited the growth of breast cancer cell MDA-MB-453 time-dependently, as well as its colony formation ability. EA1.3A induced apoptosis on MDA-MB-453 cells both dose-dependently and time-dependently as analyzed by flow cytometry and verified by western blotting analysis of apoptosis marker cleaved nuclear poly(ADP-ribose) polymerase (cPARP). Additionally, EA1.3A induced cell cycle arrest in G0/G1 phase. Chemical components analysis of EA1.3A by GC-MS revealed that this nonpolar fraction from GpM contains 10 compounds including four alkaloids, three organic esters, two terpenes, and one catechol substance, and all these compounds have not been reported in GpM. In summary, the nonpolar fraction EA1.3A from GpM inhibited cancer cell growth through induction of apoptosis and regulation of cell cycle progression. Our study shed light on new chemical bases for the anticancer activities of GpM and feasibilities to develop new anticancer agents from this widely used medicinal plant. PMID:27034692

  1. In Vitro Anticancer Activity of a Nonpolar Fraction from Gynostemma pentaphyllum (Thunb. Makino

    Directory of Open Access Journals (Sweden)

    Yantao Li

    2016-01-01

    Full Text Available Gynostemma pentaphyllum (Thunb. Makino (GpM has been widely used in traditional Chinese medicine (TCM for the treatment of various diseases including cancer. Most previous studies have focused primarily on polar fractions of GpM for anticancer activities. In this study, a nonpolar fraction EA1.3A from GpM showed potent growth inhibitory activities against four cancer cell lines with IC50 ranging from 31.62 μg/mL to 38.02 μg/mL. Furthermore, EA1.3A also inhibited the growth of breast cancer cell MDA-MB-453 time-dependently, as well as its colony formation ability. EA1.3A induced apoptosis on MDA-MB-453 cells both dose-dependently and time-dependently as analyzed by flow cytometry and verified by western blotting analysis of apoptosis marker cleaved nuclear poly(ADP-ribose polymerase (cPARP. Additionally, EA1.3A induced cell cycle arrest in G0/G1 phase. Chemical components analysis of EA1.3A by GC-MS revealed that this nonpolar fraction from GpM contains 10 compounds including four alkaloids, three organic esters, two terpenes, and one catechol substance, and all these compounds have not been reported in GpM. In summary, the nonpolar fraction EA1.3A from GpM inhibited cancer cell growth through induction of apoptosis and regulation of cell cycle progression. Our study shed light on new chemical bases for the anticancer activities of GpM and feasibilities to develop new anticancer agents from this widely used medicinal plant.

  2. Study on Surface Properties for Non-polar Fluids with Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    吴畏; 陆九芳; 付东; 刘金晨; 李以圭

    2004-01-01

    The density functional theory, simplified by the local density approximation and mean-field approximation, is applied to study the surface properties of pure non-polar fluids. A reasonable long rang correction is adopted to avoid the truncation of the potential. The perturbation theory is applied to establish the equation for the phase equilibrium, in which the hard-core chain fluid is as the reference fluid and the Yukawa potential is used as the perturbation term. Three parameters, elk, d and ms, are regressed from the vapor-liquid equilibria, and the surface properties, including density profile, surface tension and local surface tension profile are predicted with these parameters.

  3. A semiempirical model for estimating the hydration free energy of neutral nonpolar compounds

    Science.gov (United States)

    Ratkova, E. L.

    2012-10-01

    An improved semiempirical model for determining the hydration free energy of neutral nonpolar compounds is presented. The model is based on a combination of the RISM approach of the integral equation theory and empirical correlations. It is demonstrated that the developed model has high predictive ability for alkanes, alkenes, and dienes (present only in the test set of compounds). It is concluded that this semiempirical model can be applied in estimating the hydration free energy of more complicated structures based on saturated and nonsaturated aliphatic hydrocarbons.

  4. Storage lipids of yeasts: a survey of nonpolar lipid metabolism in Saccharomyces cerevisiae, Pichia pastoris, and Yarrowia lipolytica.

    Science.gov (United States)

    Koch, Barbara; Schmidt, Claudia; Daum, Günther

    2014-09-01

    Biosynthesis and storage of nonpolar lipids, such as triacylglycerols (TG) and steryl esters (SE), have gained much interest during the last decades because defects in these processes are related to severe human diseases. The baker's yeast Saccharomyces cerevisiae has become a valuable tool to study eukaryotic lipid metabolism because this single-cell microorganism harbors many enzymes and pathways with counterparts in mammalian cells. In this article, we will review aspects of TG and SE metabolism and turnover in the yeast that have been known for a long time and combine them with new perceptions of nonpolar lipid research. We will provide a detailed insight into the mechanisms of nonpolar lipid synthesis, storage, mobilization, and degradation in the yeast S. cerevisiae. The central role of lipid droplets (LD) in these processes will be addressed with emphasis on the prevailing view that this compartment is more than only a depot for TG and SE. Dynamic and interactive aspects of LD with other organelles will be discussed. Results obtained with S. cerevisiae will be complemented by recent investigations of nonpolar lipid research with Yarrowia lipolytica and Pichia pastoris. Altogether, this review article provides a comprehensive view of nonpolar lipid research in yeast.

  5. Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatographic retention data

    Science.gov (United States)

    Hinckley, D.A.; Bidleman, T.F.; Foreman, W.T.; Tuschall, J.R.

    1990-01-01

    Vapor pressures for nonpolar and moderately polar organochlorine, pyrethroid, and organophosphate insecticides, phthalate esters, and organophosphate flame retardants were determined by capillary gas chromatography (GC). Organochlorines and polycyclic aromatic hydrocarbons with known liquid-phase vapor pressures (P??L) (standard compounds) were chromatographed along with two reference compounds n-C20 (elcosane) and p,p???-DDT on a 1.0-m-long poly(dimethylsiloxane) bonded-phase (BP-1) column to determine their vapor pressures by GC (P??GC). A plot of log P??L vs log P??GC for standard compounds was made to establish a correlation between measured and literature values, and this correlation was then used to compute P??L of test compounds from their measured P??GC. P??L of seven major components of technical chlordane, endosulfan and its metabolites, ??-hexachlorocyclohexane, mirex, and two components of technical toxaphene were determined by GC. This method provides vapor pressures within a factor of 2 of average literature values for nonpolar compounds, similar to reported interlaboratory precisions of vapor pressure determinations. GC tends to overestimate vapor pressures of moderately polar compounds. ?? 1990 American Chemical Society.

  6. A polarity-induced defect mechanism for conductivity and magnetism at polar-nonpolar oxide interfaces.

    Science.gov (United States)

    Yu, Liping; Zunger, Alex

    2014-10-13

    The discovery of conductivity and magnetism at the polar-nonpolar interfaces of insulating nonmagnetic oxides such as LaAlO3 and SrTiO3 has raised prospects for attaining interfacial functionalities absent in the component materials. Yet, the microscopic origin of such emergent phenomena remains unclear, posing obstacles to design of improved functionalities. Here we present first principles calculations of electronic and defect properties of LaAlO3/SrTiO3 interfaces and reveal a unifying mechanism for the origins of both conductivity and magnetism. We demonstrate that the polar discontinuity across the interface triggers thermodynamically the spontaneous formation of certain defects that in turn cancel the polar field induced by the polar discontinuity. The ionization of the spontaneously formed surface oxygen vacancy defects leads to interface conductivity, whereas the unionized Ti-on-Al antisite defects lead to interface magnetism. The proposed mechanism suggests practical design principles for inducing and controlling both conductivity and magnetism at general polar-nonpolar interfaces.

  7. Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

    KAUST Repository

    Leonard, J. T.

    2015-07-06

    © 2015 AIP Publishing LLC. We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3nm quantum well width, 1nm barriers, a 5nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406nm nonpolar VCSEL with a low threshold current density (∼16kA/cm2), a peak output power of ∼12μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

  8. Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

    Science.gov (United States)

    Leonard, J. T.; Cohen, D. A.; Yonkee, B. P.; Farrell, R. M.; Margalith, T.; Lee, S.; DenBaars, S. P.; Speck, J. S.; Nakamura, S.

    2015-07-01

    We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3 nm quantum well width, 1 nm barriers, a 5 nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406 nm nonpolar VCSEL with a low threshold current density (˜16 kA/cm2), a peak output power of ˜12 μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

  9. Characterizations of nonlinear optical properties on GaN crystals in polar, nonpolar, and semipolar orientations

    Science.gov (United States)

    Chen, Hong; Huang, Xuanqi; Fu, Houqiang; Lu, Zhijian; Zhang, Xiaodong; Montes, Jossue A.; Zhao, Yuji

    2017-05-01

    We report the basic nonlinear optical properties, namely, two-photon absorption coefficient ( β ), three-photon absorption coefficient ( γ ), and Kerr nonlinear refractive index ( n kerr), of GaN crystals in polar c-plane, nonpolar m-plane, and semipolar ( 20 21 ¯ ) plane orientations. A typical Z-scan technique was used for the measurement with a femtosecond Ti:S laser from wavelengths of 724 nm to 840 nm. For the two-photon absorption coefficient ( β ), similar values were obtained for polar, nonpolar, and semipolar samples, which are characterized to be ˜0.90 cm/GW at 724 nm and ˜0.65 cm/GW at 730 nm for all the three samples. For the Kerr nonlinear refractive index ( n kerr), self-focusing features were observed in this work, which is different from previous reports where self-defocusing features were observed on GaN in the visible and near-UV spectral regions. At 724 nm, n kerr was measured to be ˜2.5 0 × 10 - 14 cm 2 / W for all three samples. Three-photon absorption coefficients ( γ ) were also determined, which were found to be consistent with previous reports. This study provides valuable information on the basic nonlinear optical properties of III-nitride semiconductors, which are vital for a wide range of applications such as integrated photonics and quantum photonics.

  10. Non-Polar Natural Products from Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile (Bromeliaceae

    Directory of Open Access Journals (Sweden)

    Ole Johan Juvik

    2017-09-01

    Full Text Available Extensive regional droughts are already a major problem on all inhabited continents and severe regional droughts are expected to become an increasing and extended problem in the future. Consequently, extended use of available drought resistant food plants should be encouraged. Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile are excellent candidates in that respect because they are established drought resistant edible plants from the semi-arid Caatinga region. From a food safety perspective, increased utilization of these plants would necessitate detailed knowledge about their chemical constituents. However, their chemical compositions have previously not been determined. For the first time, the non-polar constituents of B. laciniosa, N. variegata and E. spectabile have been identified. This is the first thorough report on natural products from N. variegata, E. spectabile, and B. laciniosa. Altogether, 20 non-polar natural products were characterized. The identifications were based on hyphenated gas chromatography-high resolution mass spectrometry (GC-HRMS and supported by 1D and 2D Nuclear Magnetic Resonance (NMR plant metabolomics.

  11. Dermoscopic features of basal cell carcinomas: differences in appearance under non-polarized and polarized light.

    Science.gov (United States)

    Liebman, Tracey N; Jaimes-Lopez, Natalia; Balagula, Yevgeniy; Rabinovitz, Harold S; Wang, Steven Q; Dusza, Stephen W; Marghoob, Ashfaq A

    2012-03-01

    Basal cell carcinomas (BCCs) can be diagnosed using different dermoscopic modalities. To evaluate dermoscopic features of BCCs using nonpolarized and polarized dermoscopy to highlight similarities and differences between dermoscopic modalities. Retrospective study of 149 BCCs under nonpolarized dermoscopy (NPD), polarized contact dermoscopy (PCD), and polarized noncontact dermoscopy (PNCD). Images were evaluated for a range of dermoscopic colors, structures, and vessels. Features were compared according to histopathologic subtype. The most common dermoscopic structures in BCCs across all modalities included globules (50.3-51.0%), dots (49.7-50.3%), white structureless areas (63.1-74.5%), structureless gray-brown areas (24.2-24.8%), and ulcerations (28.2%). The most frequently observed vasculature included arborizing vessels (18.8-38.3%), short fine telangiectasias (SFTs) (73.8-82.6%), and vascular blush (41.6-83.2%). Structures with higher levels of agreement across modalities included pigmented structures and ulcerations. Lower levels of agreement existed between contact and noncontact modalities for certain vascular features. White shiny structures, which include shiny white lines (chrysalis and crystalline structures) (0-69.1%), shiny white areas (0-25.5%), and rosettes (0-11.4%), exhibited no agreement between NPD and polarized modalities. This study highlights differences in dermoscopic features of BCCs under three dermoscopic modalities. Shiny white lines (chrysalis and crystalline structures) and shiny white areas may be used as additional criteria to diagnose BCCs. © 2011 by the American Society for Dermatologic Surgery, Inc. Published by Wiley Periodicals, Inc.

  12. Relative effectiveness of pretreatments on performance of Rhizomucor miehei lipase in nonpolar reaction media.

    Science.gov (United States)

    Garcia, Rafael A; Riley, Mark R

    2005-02-01

    Enzymes can be used in nonpolar reaction media to modify water-insoluble substrates. A variety of pretreatments, applied to the enzyme prior to introduction to the nonpolar media, can improve enzyme activity. However, the various pretreatments have not been studied using directly comparable conditions, nor have they been applied simultaneously to test for interactive effects. This work evaluates pretreatment of lipase with various classes of additives. The pretreated lipase is used to catalyze esterification between citronellol and acetic acid in a medium of n-hexane. The effectiveness of a particular pretreatment is presented in terms of relative performance (RP), which is equal to the number of times faster the pretreated lipase catalyzes the reaction relative to untreated lipase. The individual and interactive effects of the pretreatment factors were studied and compared. Buffer salts had a much stronger performance-enhancing effect than nonbuffer salts; pretreatment with 90% (w/w) sodium phosphate yielded lipase with an RP of approx 64. A strong interaction was found between the treatments with sodium phosphate and pH adjustment. These treatments may mitigate the inhibitory effect of acetic acid. Activating effects of phase interfaces and active-site protectants are shown to be complementary to other treatments, demonstrating that they likely act by distinct mechanisms.

  13. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Directory of Open Access Journals (Sweden)

    Shruti Mukundan

    2015-03-01

    Full Text Available Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In0.55Ga0.45N over non-polar (11-20 a-plane In0.17Ga0.83N epilayer grown on a-plane (11-20GaN/(1-102 r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE. Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of InxGa1−xN alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  14. Morphological, structural and electrical investigations on non-polar a-plane ZnO epilayers

    Science.gov (United States)

    Lautenschlaeger, Stefan; Eisermann, Sebastian; Hofmann, Michael N.; Roemer, Udo; Pinnisch, Melanie; Laufer, Andreas; Meyer, Bruno K.; von Wenckstern, Holger; Lajn, Alexander; Schmidt, Florian; Grundmann, Marius; Blaesing, Juergen; Krost, Alois

    2010-07-01

    We report on the growth of non-polar a-plane ZnO by CVD on r-plane-sapphire-wafers, a-plane GaN-templates and a-plane ZnO single-crystal substrates. Only the homoepitaxial growth approach leads to a Frank-van-der-Merwe growth mode, as shown by atomic force microscopy. The X-ray-diffraction spectra of the homoepitaxial thin films mirror the excellent crystalline quality of the ZnO substrate. The morphological and the structural quality of the homoepitaxial films is comparable to the best results for the growth on c-plane ZnO-substrates. The impurity incorporation, especially of group III elements, seems to be reduced when growing on the non-polar a-plane surface compared to the c-plane films as demonstrated by secondary ion mass spectrometry (SIMS). Optical properties have been investigated using low temperature photoluminescence measurements. We employed capacitance-voltage measurements ( C- V) to measure the background carrier density and its profile from substrate/film interface throughout the film to the surface. In thermal admittance spectroscopy (TAS) specific traps could be distinguished, and their thermal activation energies and capture cross sections could be determined.

  15. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Energy Technology Data Exchange (ETDEWEB)

    Mukundan, Shruti; Mohan, Lokesh; Chandan, Greeshma; Krupanidhi, S. B., E-mail: sbk@mrc.iisc.ernet.in; Shinde, Satish; Nanda, K. K. [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Roul, Basanta [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Central Research Laboratory, Bharat Electronics, Bangalore 560013 (India); Maiti, R.; Ray, S. K. [Department of Physics, Indian Institute of Technology, Kharagpur (India)

    2015-03-15

    Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In{sub 0.55}Ga{sub 0.45}N over non-polar (11-20) a-plane In{sub 0.17}Ga{sub 0.83}N epilayer grown on a-plane (11-20)GaN/(1-102) r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE). Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of In{sub x}Ga{sub 1−x}N alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  16. Vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria calculations for polystyrene plus methyleyclohexane and polystyrene plus cyclohexane solutions

    DEFF Research Database (Denmark)

    Wilczura-Wachnik, H.; Jonsdottir, Svava Osk

    2006-01-01

    This paper presents the vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria predictions for polystyrene in two theta solvents: cyclohexane and methylcyclohexane. VLE calculations were performed with the Elbro free volume method and a modified version of the PC-SAFT method, as well...

  17. Improved performance of TiO2 in the selective photo-catalytic oxidation of cyclohexane by increasing the rate of desorption through surface silylation

    NARCIS (Netherlands)

    Almeida, Ana Rita; Carneiro, Joana T.; Moulijn, Jacob A.; Mul, Guido

    2010-01-01

    The effect of silylation on the performance of an anatase TiO2 catalyst in the selective photo-oxidation of cyclohexane was investigated using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and an illuminated slurry reactor. The rate of cyclohexanone formation showed

  18. Alkyl bicarbamates supramolecular organogelators with effective selective gelation and high oil recovery from oil/water mixtures.

    Science.gov (United States)

    Wang, Yongzhen; Wu, Songquan; Yan, Xingru; Ma, Tao; Shao, Lu; Liu, Yuyan; Guo, Zhanhu

    2017-01-01

    A series of alkyl bicarbamates supramolecular organogelators were synthesized with different structures and lengths of alkyl chains. The driving forces for the self-assembly of small molecules, including the intermolecular H bonding, π-π stacking and van der Waals interactions, played an important role in the formation of different 3D network structures, i.e., fibers, ribbons, sheets, and prisms. And a probable formation process of the gel networks was proposed. Furthermore, the phase-selective gelling performances were investigated for oil removal from aqueous solution. Interestingly, the gelling properties were found to be affected by the length and structure of alkyl chains, while some gelators with intermediate alkyl chain lengths could effectively gel all the tested oils from water surface within 15 min, such as Russian crude oil, diesel, gasoline, soybean oil, peanut oil, olive oil, cyclohexane, hexane and ethyl acetate. Advantageously, fast gelation, high rate of oil removal (>95%) and excellent oil retention rate (close to 100%) were realized in the recovery of oil spills from water surface. This kind of supramolecular gelators demonstrates good potential applications in the delivery or removal of organic pollution from oil/water mixtures.

  19. Conformational analysis of cyclic sulphites. 2-Oxo 1,3,2-dioxathiane-4-spiro-4- tert-butyl-cyclohexanes

    Science.gov (United States)

    Cazaux, Louis; Koudsi, Yahia; Maroni, Pierre

    Three series of 4-spirosulphites, a new class of cyclic sulphites, were synthesized and five couples of diastereoisomers isolated. Their structural analysis, using 1H NMR coupling constants and SO stretching vibration as conformational probes, shows a large variety of ananchomeric chair forms and multicomponent equilibria for the cyclic sulphite moiety, the cyclohexane part of the molecule remaining in the chair form. Related to the occurrence of severe interactions involving the 5-methyl or 6- tert. butyl substituent, several twist forms were encountered, with 2,5-axis and isoclinal SO or 1,4-axis and axial or equatorial SO as a consequence of the weak free energy difference between chair and twist conformations in the cyclic sulphite series.

  20. Novel glass-forming organic materials. 2. Structure and fluorescence of pyrene- and carbazole-containing cyclohexane, bicyclooctene, and adamantane

    Energy Technology Data Exchange (ETDEWEB)

    Mastrangelo, J.C.; Conger, B.M.; Chen, S.H. [Univ. of Rochester, NY (United States)] [and others

    1997-01-01

    A series of novel glass-forming organic materials consisting of pyrenyl and carbazolyl groups attached to cyclohexane with a 1-axial-2-equatorial configuration, bicyclo[2.2.2]oct-7-ene with an all-exo configuration, and adamantane were synthesized and characterized. On the basis of proton NMR spectra, it was found that the rotation of pendant pyrenyl and carbazolyl groups is restricted in the bicyclic system presumably because of steric hindrance in the all-exo configuration. In contrast, free rotation was found to prevail in cyclohexane- and adamantane-based systems. Fluorescence spectra gathered in solution at room temperature show evidence exclusively for intramolecular excimer formation in pyrene-containing compounds up to a concentration of 10{sup -4} M. On the contrary, carbazole-containing compounds are not prone to excimer formation in the concentration range 10{sup -6}-10{sup -3} M, presumably because of the more stringent requirements of interchromophoric distance and orientation. Although both pyrene and carbazole are highly crystalline on their own, attachment to cyclic, bicyclic, and tricyclic central cores was found to contribute to an ease of vitrification of the hybrid systems with a T{sub g} ranging from 43 to 132 {degrees}C. Moreover, the quenched glasses of all seven model systems were found to possess morphological stability in view of the absence of recrystallization upon heating from 0 to 200 {degrees}C at a heating rate ranging from 0.2 to 20{degrees}C/min. Morphological stability was further supported by the absence of recrystallization upon prolonged thermal annealing at temperatures above T{sub g}. 24 refs., 6 figs.

  1. Ship-in-bottle synthesis of NaY zeolite encapsulated Cosalen complex and its catalytic performance for cyclohexane oxidation

    Institute of Scientific and Technical Information of China (English)

    YUAN Xia; LI Fang; LUO He'an

    2007-01-01

    N,N'-bis(salicylidene)ethylenediiminocobalt (Cosalen) was encapsulated into microporous NaY zeolite via the technique of "ship-in-bottle".The encapsulated complex (Cosalen-NaY) was characterized by Fourier-transform infrared spectrum,ultraviolet-visible spectrum, Bmnauer-Emmett-Teller surface areas, X-ray diffraction,thermogravimetry-differential thermal analysis and scanning electron microscope.The reaction of cyclohexane oxidation using oxygen was chosen to investigate the catalytic performance of Cosalen-NaY, and the effects of oxygen pressure. temperature and reaction time were also studied.The results show that Cosalen complex is encapsulated into the supercage of the zeolite and the structure of NaY zeolite remains integrity and the thermal stabilitv of Cosalen is greatly enhanced after encapsulation.Cosalen-NaY shows the better activity in the oxidation of eyclohexane without reductant and solvent.The conversion of cyclohexane is up to 13.4%at 150 ℃ for 3 h under oxygen pressure of 0.85 MPa, with the higher total selectivity to cyclohexanol, cyclohexanone, cyclohexyl hydroperoxide(CHHP)and acid (79.2%)than the neat complex(55.5%). NaY zeolite carrier maybe contributes to the results. There is no obviPUS induction period to initiate the reaction;furthermore. the amount of CHHP among the products is small, which indicates that the Cosalen-NaY has the strong abilitv to accelerate the decomposition of CHHP. Recycling tests show that the hybrid material can be used repeatedly with a negligible loss of active sites.

  2. Covalent and non-covalent functionalization and solubilization of double-walled carbon nanotubes in nonpolar and aqueous media

    Indian Academy of Sciences (India)

    L S Panchakarla; A Govindaraj

    2008-11-01

    Double-walled carbon nanotubes (DWNTs) have been functionalized by both covalent and non-covalent means. Covalent functionalization has been carried out by attaching an aliphatic amide function to DWNTs which enable solubilization in non-polar solvents. Solubilization in non-polar solvents has also been accomplished by non-covalent functionalization by using 1-pyrenebutanoicacid succinimidyl ester (PYBS). Non-covalent functionalization of DWNTs has been carried out by using polyethylene glycol (PEG) and polyoxyethylene(40)nonylphenyl ether (IGPAL), both of which enable solubilization in aqueous media. These functionalized DWNTs have been characterized by transmission electron microscopy, IR and Raman spectroscopy.

  3. Thermodynamics of octane enhancing additives in gasolines: vapor-liquid equilibrium of the ternary system di-isopropyl ether (DIPE) + cyclohexane + benzene at 313.15 K; Thermodynamique d'additifs ameliorant l'index d'octane dans les essences: equilibre liquide-vapeur du systeme ternaire DIPE+cyclohexane+benzene a 313.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Chamorro, C.R.; Segovia, J.J.; Martin, M.C.; Villamanan, M.A. [Valladolid Univ., Lab. de Termodinamica, Dept. Ingenieria Energetica y Fluidomevanica E.T.S. de Ingenieros Industriales (Spain)

    2000-07-01

    Experimental isothermal P-x data at 313.15 K for the ternary system (di-isopropyl ether (DIPE) + cyclohexane + benzene) and for the two DIPE-binaries, DIPE + cyclohexane and DIPE = benzene, are reported. Data reduction by Barker's method provides correlations for g{sup E} using the Margules equation for the binary systems and the Wohl expansion for the ternary system. Wilson, NRTL and UNIQUAC models have been applied successfully to both the binary and the ternary systems. (authors)

  4. Role of the electronegativity for the interface properties of non-polar heterostructures

    KAUST Repository

    Nazir, Safdar

    2012-04-01

    Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2 layers, metallic interface states develop, due to the occupation of the Ti 3d orbitals. For PbTiO 3/SrTiO 3, the Pb 6p states cross the Fermi energy. O vacancy formation energies depend strictly on the electronegativity and the effective volume of the A ion, while the main characteristics of the interface electronic states are maintained. © Europhysics Letters Association, 2012.

  5. Homoepitaxial HVPE-GaN growth on non-polar and semi-polar seeds

    Science.gov (United States)

    Amilusik, M.; Sochacki, T.; Lucznik, B.; Fijalkowski, M.; Smalc-Koziorowska, J.; Weyher, J. L.; Teisseyre, H.; Sadovyi, B.; Bockowski, M.; Grzegory, I.

    2014-10-01

    In this work homoepitaxial HVPE-GaN growth on non-polar and semi-polar GaN seeds was described. Two crystallization processes, in the same experimental conditions but using different carrier gases: N2 and H2, were performed. An influence of growth directions and growth conditions on the growth rate and properties (morphology, structural quality and oxygen and silicon contaminations) of obtained crystals were investigated and discussed. It was shown that the growth rate strongly depends on the growth direction and the carrier gas. It was demonstrated that for the semi-polar [20-21] direction it was possible to obtain high quality and highly conductive (without intentional doping) gallium nitride layers.

  6. ADSORPTION OF LATERALLY INTERACTING 1-NAPHTHOL/1-NAPHTHYL AMINE MIXTURES ON NONPOLAR SURFACES FROM AQUEOUS SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Wei-ming Zhang; Jin-long Chen; Qun Chen; Ming-yang He; Bing-cai Pan; Quan-xing Zhang

    2006-01-01

    The binary adsorption behavior of 1-naphthol/1-naphthylamine mixtures in water on nonpolar adsorbent Amberlite XAD4 was investigated at 293 K, 303 K and 313 K, respectively. The experimental uptakes of 1-naphthol and 1-naphthylamine in all binary-component systems of different molar ratios were obviously higher than the corresponding uptakes predicted by the extended Langmuir model, assuming no interaction between the adsorbed molecules of the two components. This phenomenon was attributed to the cooperative adsorption effect arising from the hydrogen bonding interaction between 1-naphthol and 1-naphthylamine molecules. A modified extended Langmuir model was proposed to describe the binary adsorption behavior by means of introducing a fitting parameter related with the cooperative adsorption effect of the adsorbates.

  7. Variability of non-polar secondary metabolites in the red alga Portieria.

    Science.gov (United States)

    Payo, Dioli Ann; Colo, Joannamel; Calumpong, Hilconida; de Clerck, Olivier

    2011-01-01

    Possible sources of variation in non-polar secondary metabolites of Portieria hornemannii, sampled from two distinct regions in the Philippines (Batanes and Visayas), resulting from different life-history stages, presence of cryptic species, and/or spatiotemporal factors, were investigated. PCA analyses demonstrated secondary metabolite variation between, as well as within, five cryptic Batanes species. Intraspecific variation was even more pronounced in the three cryptic Visayas species, which included samples from six sites. Neither species groupings, nor spatial or temporal based patterns, were observed in the PCA analysis, however, intraspecific variation in secondary metabolites was detected between life-history stages. Male gametophytes (102 metabolites detected) were strongly discriminated from the two other stages, whilst female gametophyte (202 metabolites detected) and tetrasporophyte (106 metabolites detected) samples were partially discriminated. These results suggest that life-history driven variations, and possibly other microscale factors, may influence the variation within Portieria species.

  8. Variability of Non-Polar Secondary Metabolites in the Red Alga Portieria

    Directory of Open Access Journals (Sweden)

    Olivier de Clerck

    2011-11-01

    Full Text Available Possible sources of variation in non-polar secondary metabolites of Portieria hornemannii, sampled from two distinct regions in the Philippines (Batanes and Visayas, resulting from different life-history stages, presence of cryptic species, and/or spatiotemporal factors, were investigated. PCA analyses demonstrated secondary metabolite variation between, as well as within, five cryptic Batanes species. Intraspecific variation was even more pronounced in the three cryptic Visayas species, which included samples from six sites. Neither species groupings, nor spatial or temporal based patterns, were observed in the PCA analysis, however, intraspecific variation in secondary metabolites was detected between life-history stages. Male gametophytes (102 metabolites detected were strongly discriminated from the two other stages, whilst female gametophyte (202 metabolites detected and tetrasporophyte (106 metabolites detected samples were partially discriminated. These results suggest that life-history driven variations, and possibly other microscale factors, may influence the variation within Portieria species.

  9. On the rotational energy distributions of reactive, non-polar species in the interstellar medium

    CERN Document Server

    Glinski, Robert J; Downum, Clark R

    2013-01-01

    A basic model for the formation of non-equilibrium rotational energy distributions is described for reactive, homo-polar diatomic molecules and ions in the interstellar medium. Kinetic models were constructed to calculate the rotational populations of C2+ under the conditions it would experience in the diffuse interstellar medium. As the non-polar ion reacts with molecular hydrogen, but not atomic hydrogen, the thermalization of a hot nascent rotational population will be arrested by chemical reaction when the H2 density begins to be significant. Populations that deviate strongly from the local thermodynamic equilibrium are predicted for C2+ in environments where it may be detectable. Consequences of this are discussed and a new optical spectrum is calculated.

  10. Dynamics of electric field induced particle alignment in nonpolar polymer matrix

    Science.gov (United States)

    Tai, Xiangyang; Wu, Guozhang; Yui, Hiroshi; Asai, Shigeo; Sumita, Masao

    2003-11-01

    The dynamics of electric field induced particle alignment in nonpolar polymer matrix to build one-dimensional conductive materials was investigated. The influence of electric field on particle alignment was real-time traced by dynamic percolation measurement using carbon black (CB) filled polyethylene as a model system. The activation energy of the continuous CB path formation was calculated and found to be unchanged with CB alignment. The critical percolation concentration at thermodynamic equilibrium state φc* was deduced to characterize the anisotropism of network structure, by which the thermodynamic prerequisite electric field E* for the transition from three-dimensional isotropic network to one-dimensional chain could be easily found out.

  11. Application of classical thermodynamics to the conductivity in non-polar media

    Science.gov (United States)

    Gourdin-Bertin, S.; Chassagne, C.

    2016-06-01

    Electrical conductivity in non-polar media is a subject which recently regained interest. If most of experiments and theoretical developments were done more than 50 years ago, new experiments and theories have been recently published. As the electrical conductivity describes, at low field, the equilibrium state of a system, it is natural to apply theories based on equilibrium thermodynamics. In this article, well-established classical thermodynamics and solvations models are applied to recently published data. This enables to get a new insight in intriguing phenomena, such as the linear dependence of the conductivity on the concentration of ionic surfactant and the evaluation of conductivity for the mixture of two miscible fluids, such as alcohol and alcane, which have very different conductivities.

  12. Palm Oil

    Science.gov (United States)

    Palm oil is obtained from the fruit of the oil palm tree. Palm oil is used for preventing vitamin A deficiency, cancer, ... blood pressure, high cholesterol, and cyanide poisoning. Palm oil is used for weight loss and increasing the ...

  13. Diesel oil

    Science.gov (United States)

    Oil ... Diesel oil ... Diesel oil poisoning can cause symptoms in many parts of the body. EYES, EARS, NOSE, AND THROAT Loss of ... most dangerous effects of hydrocarbon (such as diesel oil) poisoning are due to inhaling the fumes. NERVOUS ...

  14. Chronic toxicity and body residues of the nonpolar narcotic 1,2,3,4-tetrachrlorobenzene in Chironomus riparius

    NARCIS (Netherlands)

    Leslie, H.A.; Kraak, M.H.S.; Hermens, J.L.

    2004-01-01

    The use of internal concentrations as a dose parameter for baseline toxicity requires an understanding of the relationship between accumulation level and toxic effects, not only for acute but also for chronic exposure. In this study of chronic toxicity of the nonpolar narcotic 1,2,3,4-tetrachloroben

  15. Chronic toxicity and body residues of the nonpolar narcotic 1,2,3,4-tetrachrlorobenzene in Chironomus riparius

    NARCIS (Netherlands)

    Leslie, H.A.; Kraak, M.H.S.; Hermens, J.L.

    2004-01-01

    The use of internal concentrations as a dose parameter for baseline toxicity requires an understanding of the relationship between accumulation level and toxic effects, not only for acute but also for chronic exposure. In this study of chronic toxicity of the nonpolar narcotic

  16. Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

    Directory of Open Access Journals (Sweden)

    Nicolas P. Tambellini

    2013-07-01

    Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

  17. Non-polar lipids accumulate during storage of transfusion products and do not contribute to the onset of transfusion-related acute lung injury.

    Science.gov (United States)

    Peters, A L; Vervaart, M A T; van Bruggen, R; de Korte, D; Nieuwland, R; Kulik, W; Vlaar, A P J

    2017-01-01

    The accumulation of non-polar lipids arachidonic acid, 5-hydroxyeicosatetraenoic acid (HETE), 12-HETE and 15-HETE during storage of transfusion products may play a role in the onset of transfusion-related acute lung injury (TRALI), a syndrome of respiratory distress after transfusion. We investigated non-polar lipid accumulation in red blood cells (RBCs) stored for 42 days, plasma stored for 7 days at either 4 or 20°C and platelet (PLT) transfusion products stored for 7 days. Furthermore, we investigated whether transfusion of RBCs with increased levels of non-polar lipids induces TRALI in a 'two-hit' human volunteer model. All products were produced following Dutch Blood Bank protocols and are according to European standards. Non-polar lipids were measured with high-performance liquid chromotography followed by mass spectrometry. All non-polar lipids increased in RBCs after 21 days of storage compared to baseline. The non-polar lipid concentration in plasma increased significantly, and the increase was even more pronounced in products stored at 20°C. In platelets, baseline levels of 5-HETE and 15-HETE were higher than in RBCs or plasma. However, the non-polar lipids did not change significantly during storage of PLT products. Infusion of RBCs with increased levels of non-polar lipids did not induce TRALI in LPS-primed human volunteers. We conclude that non-polar lipids accumulate in RBC and plasma transfusion products and that accumulation is temperature dependent. Accumulation of non-polar lipids does not appear to explain the onset of TRALI (Dutch Trial Register - NTR4455). © 2016 International Society of Blood Transfusion.

  18. Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies

    Science.gov (United States)

    Wang, Bao; Zhao, Zhixiong; Wei, Guo-Wei

    2016-09-01

    In this work, a systematic protocol is proposed to automatically parametrize the non-polar part of implicit solvent models with polar and non-polar components. The proposed protocol utilizes either the classical Poisson model or the Kohn-Sham density functional theory based polarizable Poisson model for modeling polar solvation free energies. Four sets of radius parameters are combined with four sets of charge force fields to arrive at a total of 16 different parametrizations for the polar component. For the non-polar component, either the standard model of surface area, molecular volume, and van der Waals interactions or a model with atomic surface areas and molecular volume is employed. To automatically parametrize a non-polar model, we develop scoring and ranking algorithms to classify solute molecules. The their non-polar parametrization is obtained based on the assumption that similar molecules have similar parametrizations. A large database with 668 experimental data is collected and employed to validate the proposed protocol. The lowest leave-one-out root mean square (RMS) error for the database is 1.33 kcal/mol. Additionally, five subsets of the database, i.e., SAMPL0-SAMPL4, are employed to further demonstrate that the proposed protocol. The optimal RMS errors are 0.93, 2.82, 1.90, 0.78, and 1.03 kcal/mol, respectively, for SAMPL0, SAMPL1, SAMPL2, SAMPL3, and SAMPL4 test sets. The corresponding RMS errors for the polarizable Poisson model with the Amber Bondi radii are 0.93, 2.89, 1.90, 1.16, and 1.07 kcal/mol, respectively.

  19. Analysis of Oxidation Product of Cyclohexane by Gas Chromatography-Mass Spectrometry%环己烷氧化产物的气相色谱-质谱分析

    Institute of Scientific and Technical Information of China (English)

    陆慧宁; 任三香

    2004-01-01

    The catalyze oxidation products of cyclohexane were analyzed by gas chromatography-mass spectrometry (GC/MS). An unknown main component had been identified by manual solution and chemical reaction as peroxy-cyclohexanol.

  20. Determination of the solid surface critical exponent β1 from contact-angle variation on approach to a wetting transition: Cyclohexane/aniline/quartz

    Science.gov (United States)

    Pallas, Norman R.

    2016-03-01

    The three-phase contact angle (θ) for the system cyclohexane/aniline/quartz has been measured from drop shapes as a function of temperature on approach to the cyclohexane/aniline upper consolute solution temperature Tc. The experiments employed exacting criteria previously established for thermodynamic-quality measurements at fluid interfaces. A first-order wetting transition from partial wetting to complete wetting was observed at a temperature Tw, 2.12 K below Tc. The contact angle vanishes at Tw, scaling as cos θ ˜ |T - Tc|β1-μ for T system. These results are in marked contrast to previous measurements on this system from measurements of capillary rise and meniscus curvature.

  1. Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

    Energy Technology Data Exchange (ETDEWEB)

    Ovejero, Gabriel [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)], E-mail: govejero@quim.ucm.es; Dolores Romero, M.; Diez, Eduardo; Lopes, Tania; Diaz, Ismael [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)

    2008-11-15

    Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system.

  2. RuO2 supported on V2O5–Al2O3 material as heterogeneous catalyst for cyclohexane oxidation reaction

    Indian Academy of Sciences (India)

    Yasmina Nesrine Tchenar; Abderrahim Choukchou-Braham; Redouane Bachir

    2012-08-01

    RuO2 supported on V2O5–Al2O3 mixed oxide material was prepared by impregnation method and characterized by XRD, nitrogen adsorption–desorption, SEM, UV-visible and FT–IR spectroscopic techniques. The catalytic activity of the prepared catalyst was evaluated for the liquid-phase oxidation of cyclohexane under mild conditions. In this reaction, conversion of cyclohexane to cyclohexanol and cyclohexanone and the selectivity ratio of cyclohexanol to cyclohexanone were greatly affected by the solvent and the oxidant agent used. The results show that the catalyst exhibit good conversion in polar solvents. The use of acetic acid gives more than 26% conversion in presence of TBHP as oxidant and an ∼40% conversion with hydrogen peroxide as oxidant in presence of an initiator, with 92% selectivity for cyclohexanol product.

  3. The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous p K a, and cyclohexane-water log D

    Science.gov (United States)

    Tielker, Nicolas; Tomazic, Daniel; Heil, Jochen; Kloss, Thomas; Ehrhart, Sebastian; Güssregen, Stefan; Schmidt, K. Friedemann; Kast, Stefan M.

    2016-11-01

    We predict cyclohexane-water distribution coefficients (log D 7.4) for drug-like molecules taken from the SAMPL5 blind prediction challenge by the "embedded cluster reference interaction site model" (EC-RISM) integral equation theory. This task involves the coupled problem of predicting both partition coefficients (log P) of neutral species between the solvents and aqueous acidity constants (p K a) in order to account for a change of protonation states. The first issue is addressed by calibrating an EC-RISM-based model for solvation free energies derived from the "Minnesota Solvation Database" (MNSOL) for both water and cyclohexane utilizing a correction based on the partial molar volume, yielding a root mean square error (RMSE) of 2.4 kcal mol-1 for water and 0.8-0.9 kcal mol-1 for cyclohexane depending on the parametrization. The second one is treated by employing on one hand an empirical p K a model (MoKa) and, on the other hand, an EC-RISM-derived regression of published acidity constants (RMSE of 1.5 for a single model covering acids and bases). In total, at most 8 adjustable parameters are necessary (2-3 for each solvent and two for the p K a) for training solvation and acidity models. Applying the final models to the log D 7.4 dataset corresponds to evaluating an independent test set comprising other, composite observables, yielding, for different cyclohexane parametrizations, 2.0-2.1 for the RMSE with the first and 2.2-2.8 with the combined first and second SAMPL5 data set batches. Notably, a pure log P model (assuming neutral species only) performs statistically similarly for these particular compounds. The nature of the approximations and possible perspectives for future developments are discussed.

  4. Poly[[μ2-1,2-bis(imidazol-1-ylmethylbenzene](μ2-cyclohexane-1,4-dicarboxylatocobalt(II

    Directory of Open Access Journals (Sweden)

    Min Xing

    2010-03-01

    Full Text Available In the the title compound, [Co(C8H10O4(C14H14N4]n, the CoII atom is four-coordinated by two N atoms from two different 1,2-bis(imidazol-1-ylmethylbenzene ligands and two carboxylate O atoms from two different cyclohexane-1,4-dicarboxylate anions in a tetrahedral coordination geometry. The resulting structure is a two-dimensional polymer with layers in the (100 plane.

  5. Asymmetric synthesis of functionalized cyclohexanes bearing five stereocenters via a one-pot organocatalytic Michael-Michael-1,2-addition sequence.

    Science.gov (United States)

    Chauhan, Pankaj; Urbanietz, Gregor; Raabe, Gerhard; Enders, Dieter

    2014-07-04

    A highly stereoselective one-pot procedure involving an enantioselective Michael addition promoted by low loading of an amino-squaramide catalyst followed by an achiral base catalyzed domino Michael-Knoevenagel-type 1,2-addition sequence provides efficient access to fully substituted cyclohexanes bearing five contiguous stereogenic centers in good yields (68-86%) and excellent stereoselectivities (>30 : 1 dr and 96-99% ee).

  6. A novel, green 1-glycyl-3-methyl imidazolium chloride-copper(Ⅱ)complex catalyzed C-H oxidation of alkyl benzene and cyclohexane

    Institute of Scientific and Technical Information of China (English)

    Parasuraman Karthikeyan; Pundlik Rambhau Bhagat; S. Senthil Kumar

    2012-01-01

    A variety of alkyl-arenes and cyclohexane were converted to the corresponding ketones with NaClO as the oxidant in the presence of 1-glycyl-3-methyl imidazolium chloride-copper(Ⅱ) complex.This method contains simplified product isolation and catalyst recycling,affording benzylic C-H oxidation of alkyl-arenes imparting high yield of ketones.Furthermore,complex could be reused seven times without a significant loss of its catayfic activity.

  7. Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study.

    Science.gov (United States)

    Zheng, Haixia; Du, Yonggang; Xue, Qingzhong; Zhu, Lei; Li, Xiaofang; Lu, Shuangfang; Jin, Yakang

    2017-12-01

    In this work, we investigate the dynamics mechanism of oil transportation in nanochannel using molecular dynamics simulations. It is demonstrated that the interaction between oil molecules and nanochannel has a great effect on the transportation properties of oil in nanochannel. Because of different interactions between oil molecules and channel, the center of mass (COM) displacement of oil in a 6-nm channel is over 30 times larger than that in a 2-nm channel, and the diffusion coefficient of oil molecules at the center of a 6-nm channel is almost two times more than that near the channel surface. Besides, it is found that polarity of oil molecules has the effect on impeding oil transportation, because the electrostatic interaction between polar oil molecules and channel is far larger than that between nonpolar oil molecules and channel. In addition, channel component is found to play an important role in oil transportation in nanochannel, for example, the COM displacement of oil in gold channel is very few due to great interaction between oil and gold substrate. It is also found that nano-sized roughness of channel surface greatly influences the speed and flow pattern of oil. Our findings would contribute to revealing the mechanism of oil transportation in nanochannels and therefore are very important for design of oil extraction in nanochannels.

  8. Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field

    Science.gov (United States)

    Kenney, Ian M.; Beckstein, Oliver; Iorga, Bogdan I.

    2016-11-01

    All-atom molecular dynamics simulations were used to predict water-cyclohexane distribution coefficients D_{cw} of a range of small molecules as part of the SAMPL5 blind prediction challenge. Molecules were parameterized with the transferable all-atom OPLS-AA force field, which required the derivation of new parameters for sulfamides and heterocycles and validation of cyclohexane parameters as a solvent. The distribution coefficient was calculated from the solvation free energies of the compound in water and cyclohexane. Absolute solvation free energies were computed by an established protocol using windowed alchemical free energy perturbation with thermodynamic integration. This protocol resulted in an overall root mean square error in log D_{cw} of almost 4 log units and an overall signed error of -3 compared to experimental data. There was no substantial overall difference in accuracy between simulating in NVT and NPT ensembles. The signed error suggests a systematic error but the experimental D_{cw} data on their own are insufficient to uncover the source of this error. Preliminary work suggests that the major source of error lies in the hydration free energy calculations.

  9. Extended reaction scope of thiamine diphosphate dependent cyclohexane-1,2-dione hydrolase: from C-C bond cleavage to C-C bond ligation.

    Science.gov (United States)

    Loschonsky, Sabrina; Wacker, Tobias; Waltzer, Simon; Giovannini, Pier Paolo; McLeish, Michael J; Andrade, Susana L A; Müller, Michael

    2014-12-22

    ThDP-dependent cyclohexane-1,2-dione hydrolase (CDH) catalyzes the CC bond cleavage of cyclohexane-1,2-dione to 6-oxohexanoate, and the asymmetric benzoin condensation between benzaldehyde and pyruvate. One of the two reactivities of CDH was selectively knocked down by mutation experiments. CDH-H28A is much less able to catalyze the CC bond formation, while the ability for CC bond cleavage is still intact. The double variant CDH-H28A/N484A shows the opposite behavior and catalyzes the addition of pyruvate to cyclohexane-1,2-dione, resulting in the formation of a tertiary alcohol. Several acyloins of tertiary alcohols are formed with 54-94 % enantiomeric excess. In addition to pyruvate, methyl pyruvate and butane-2,3-dione are alternative donor substrates for CC bond formation. Thus, the very rare aldehyde-ketone cross-benzoin reaction has been solved by design of an enzyme variant.

  10. Configuration- and conformation-dependent electronic-structure variations in 1,4-disubstituted cyclohexanes enabled by a carbon-to-silicon exchange.

    Science.gov (United States)

    Emanuelsson, Rikard; Löfås, Henrik; Wallner, Andreas; Nauroozi, Djawed; Baumgartner, Judith; Marschner, Christoph; Ahuja, Rajeev; Ott, Sascha; Grigoriev, Anton; Ottosson, Henrik

    2014-07-21

    Cyclohexane, with its well-defined conformers, could be an ideal force-controlled molecular switch if it were to display substantial differences in electronic and optical properties between its conformers. We utilize σ conjugation in heavier analogues of cyclohexanes (i.e. cyclohexasilanes) and show that 1,4-disubstituted cyclohexasilanes display configuration- and conformation-dependent variations in these properties. Cis- and trans-1,4-bis(trimethylsilylethynyl)cyclohexasilanes display a 0.11 V difference in their oxidation potentials (computed 0.11 V) and a 0.34 eV difference in their lowest UV absorption (computed difference between first excitations 0.07 eV). This is in stark contrast to differences in the corresponding properties of analogous all-carbon cyclohexanes (computed 0.02 V and 0.03 eV, respectively). Moreover, the two chair conformers of the cyclohexasilane trans isomer display large differences in electronic-structure-related properties. This enables computational design of a mechanically force-controlled conductance switch with a calculated single-molecule ON/OFF ratio of 213 at zero-bias voltage.

  11. Synthesis of a new iron(Ⅲ) porphyrin acrylate-styrene copolymer and its catalysis for hydroxylation of cyclohexane

    Institute of Scientific and Technical Information of China (English)

    YU Hancheng; CHEN Xianli; LI Xixian; HUANG Jinwang; JI Liangnian

    2007-01-01

    A new iron(Ⅲ) porphyrin acrylate-styrene copolymer,P[(PorFe)A-S],was synthesized by the reaction of iron(Ⅲ) porphyrin acrylate with styrene and characterized by UV-Vis,Infrared spectra (IR),inductively coupled plasmaatomic emission spectrometry (ICP) and molecular weight determination.Its catalytic activity in the hydroxylation of cyclohexane for model cytochrome/>450 in the P[(PorFe)A-S]-OE-ascrobate-thiosalicylic acid system has been studied.It was found that the P[(PorFe)A-S] has a higher catalytic activity than non-supported iron(Ⅲ) porphyrin and its high catalytic activity remained in reuse.The catalytic activity of P[(PorFe)A-S] was discussed in the view of the microenvironment of iron(Ⅲ) porphyrin.It is proposed that the catalytic activity of the P[(PorFe)A-S] may be further enhanced by construction of a homophase catalytic system containing the iron(Ⅲ) porphyrin acrylate-styrene copolymer.

  12. A glucose derivative as natural alternative to the cyclohexane-1,2-diamine ligand in the anticancer drug oxaliplatin?

    Science.gov (United States)

    Berger, Isabella; Nazarov, Alexey A; Hartinger, Christian G; Groessl, Michael; Valiahdi, Seied-M; Jakupec, Michael A; Keppler, Bernhard K

    2007-04-01

    Having oxaliplatin as archetype, several platinum complexes with a carbohydrate moiety resembling the cyclohexane-1,2-diamine ligand of oxaliplatin have been prepared. As leaving groups, the anionic ligands iodide, oxalate, and malonate were utilized, and for comparison purposes the chloro complex was employed. All compounds were characterized by elemental analysis, nuclear magnetic resonance spectroscopy, and electrospray mass spectrometry. The crystal structure of (SP-4-3)-diiodo(2,3-diamino-2,3-dideoxy-D-glucose-kappa(2)N,N')platinum(II) was determined by X-ray diffraction. The affinity toward dGMP was assayed by capillary electrophoresis, revealing that the chloro complex shows the highest reactivity, followed by the iodo complex. In contrast, the binding kinetics of the dicarboxylato complexes are slower, with the malonato complex being the least reactive. Reactivity to dGMP in the cell-free system correlates with cytotoxicity in two of four human cancer cell lines as determined by means of the MTT assay. In three of the four cell lines, the chloro and the malonato complex are the most and the least active of the carbohydrate-Pt complexes, respectively, with IC(50) values differing only by factors of up to 3.2. Cytotoxicity of the chloro complex is one to two orders of magnitude lower than that of oxaliplatin, but still comparable to that of carboplatin in two of the four cell lines.

  13. Heme and non-heme iron transporters in non-polarized and polarized cells

    Directory of Open Access Journals (Sweden)

    Yasui Yumiko

    2010-06-01

    Full Text Available Abstract Background Heme and non-heme iron from diet, and recycled iron from hemoglobin are important products of the synthesis of iron-containing molecules. In excess, iron is potentially toxic because it can produce reactive oxygen species through the Fenton reaction. Humans can absorb, transport, store, and recycle iron without an excretory system to remove excess iron. Two candidate heme transporters and two iron transporters have been reported thus far. Heme incorporated into cells is degraded by heme oxygenases (HOs, and the iron product is reutilized by the body. To specify the processes of heme uptake and degradation, and the reutilization of iron, we determined the subcellular localizations of these transporters and HOs. Results In this study, we analyzed the subcellular localizations of 2 isoenzymes of HOs, 4 isoforms of divalent metal transporter 1 (DMT1, and 2 candidate heme transporters--heme carrier protein 1 (HCP1 and heme responsive gene-1 (HRG-1--in non-polarized and polarized cells. In non-polarized cells, HCP1, HRG-1, and DMT1A-I are located in the plasma membrane. In polarized cells, they show distinct localizations: HCP1 and DMT1A-I are located in the apical membrane, whereas HRG-1 is located in the basolateral membrane and lysosome. 16Leu at DMT1A-I N-terminal cytosolic domain was found to be crucial for plasma membrane localization. HOs are located in smooth endoplasmic reticulum and colocalize with NADPH-cytochrome P450 reductase. Conclusions HCP1 and DMT1A-I are localized to the apical membrane, and HRG-1 to the basolateral membrane and lysosome. These findings suggest that HCP1 and DMT1A-I have functions in the uptake of dietary heme and non-heme iron. HRG-1 can transport endocytosed heme from the lysosome into the cytosol. These localization studies support a model in which cytosolic heme can be degraded by HOs, and the resulting iron is exported into tissue fluids via the iron transporter ferroportin 1, which is

  14. Sorptive capacities of lipids determined by passive dosing of non-polar organic chemicals

    DEFF Research Database (Denmark)

    Jahnke, Annika; Kierkegaard, Amelie; Bolinius, Damien

    VMS), chlorobenzenes and polychlorinated biphenyls via a common headspace over an olive oil donor phase to transfer the same chemical activity into the samples; iii) sampling of EOM and olive oil controls at different time points; iv) purge-and-trap extraction of the model chemicals onto ENV+ SPE cartridges, elution...... and GC/MS analysis; v) characterization of the lipid composition in all samples via NMR. Our experiments demonstrate that the sorptive capacities of the EOM samples do not differ significantly from the olive oil controls if the EOM consists of neutral lipids only. However, the EOM samples show small...

  15. Remarks on energetic conditions for positronium formation in non-polar solids. Coupled Dipole Method application

    CERN Document Server

    Pietrow, Marek

    2015-01-01

    A numerical program calculating an energy of a positron or (and) an electron near the free volume in solid n-alkanes has been build. The theory of interaction of e+ or (and) e- with this non-polar media based on polarizability has been introduced. The energy of the e+ -- e- pair in the bulk was compared to that calculated when the pair forms a positronium (Ps) inside the free volume. The calculations are based on the Coupled Dipole Method and the dipole-dipole interaction energy for induced dipoles is taken into account. Furthermore, a correction of a local permittivity for the e+ -- e- interaction is calculated taking into account the non-isotropic medium between them. The method is a step toward more accurate calculations of energetic conditions during the Ps formation in matter. The possibility of emission of the excess energy of the Ps formation as electromagnetic radiation is discussed. It is argued that if this radiation is observed, it can be used as a new spectroscopic tool providing information about...

  16. Nonpolarized signaling reveals two distinct modes of 3D cell migration.

    Science.gov (United States)

    Petrie, Ryan J; Gavara, Núria; Chadwick, Richard S; Yamada, Kenneth M

    2012-04-30

    We search in this paper for context-specific modes of three-dimensional (3D) cell migration using imaging for phosphatidylinositol (3,4,5)-trisphosphate (PIP3) and active Rac1 and Cdc42 in primary fibroblasts migrating within different 3D environments. In 3D collagen, PIP3 and active Rac1 and Cdc42 were targeted to the leading edge, consistent with lamellipodia-based migration. In contrast, elongated cells migrating inside dermal explants and the cell-derived matrix (CDM) formed blunt, cylindrical protrusions, termed lobopodia, and Rac1, Cdc42, and PIP3 signaling was nonpolarized. Reducing RhoA, Rho-associated protein kinase (ROCK), or myosin II activity switched the cells to lamellipodia-based 3D migration. These modes of 3D migration were regulated by matrix physical properties. Specifically, experimentally modifying the elasticity of the CDM or collagen gels established that nonlinear elasticity supported lamellipodia-based migration, whereas linear elasticity switched cells to lobopodia-based migration. Thus, the relative polarization of intracellular signaling identifies two distinct modes of 3D cell migration governed intrinsically by RhoA, ROCK, and myosin II and extrinsically by the elastic behavior of the 3D extracellular matrix.

  17. Optical Kerr Effect Spectroscopy of a Nonpolar Solute in Dicationic versus Monocationic Ionic Liquids

    Science.gov (United States)

    Gurung, Eshan; Xue, Lianjie; Tamas, George; Quitevis, Edward

    2014-03-01

    A comparison of the intermolecular dynamics of small nonpolar solute molecules in monocationic and dicationic ionic liquids (ILs) was performed using optical heterodyne-detected Raman-induced Kerr effect spectroscopy (OHD-RIKES). The optical Kerr effect (OKE) spectrum of CS2 in 1-methyl-3-propylimidazolium bis(trifluoromethane-sulfonyl)amide [C3mim][NTf2] and 1,6-bis(3-methylimidazolium-1-yl) hexane bis(trifluoromethane-sulfonyl)amide [C6(mim)2][NTf2]2 was investigated as a function of concentration at 295 K. An additivity model with components from the subpicosecond dynamics of IL and CS2 was used to interpret the OKE spectra of the mixtures. The spectrum of CS2 in the two ILs is lower in frequency and narrower than that of neat CS2. The spectrum of CS2 in the dicationic IL is higher in frequency than in the monocationic IL. This result shows that CS2 molecule experiences a stiffer potential in dicationic ILs as compared to monocationic ILs. Higher stiffness in C6(mim)2][NTf2]2 might be due to a more ordered arrangement and lower mobility of the alkyl chains linking the imidazolium rings. This work was supported by NSF Grant CHE-1153077.

  18. Effects of polar and nonpolar groups on the solubility of organic compounds in soil organic matter

    Science.gov (United States)

    Chiou, C.T.; Kile, D.E.

    1994-01-01

    Vapor sorption capacities on a high-organic-content peat, a model for soil organic matter (SOM), were determined at room temperature for the following liquids: n-hexane, 1,4-dioxane, nitroethane, acetone, acetonitrile, 1-propanol, ethanol, and methanol. The linear organic vapor sorption is in keeping with the dominance of vapor partition in peat SOM. These data and similar results of carbon tetrachloride (CT), trichloroethylene (TCE), benzene, ethylene glycol monoethyl ether (EGME), and water on the same peat from earlier studies are used to evaluate the effect of polarity on the vapor partition in SOM. The extrapolated liquid solubility from the vapor isotherm increases sharply from 3-6 wt % for low-polarity liquids (hexane, CT, and benzene) to 62 wt % for polar methanol and correlates positively with the liquid's component solubility parameters for polar interaction (??P) and hydrogen bonding (??h). The same polarity effect may be expected to influence the relative solubilities of a variety of contaminants in SOM and, therefore, the relative deviations between the SOM-water partition coefficients (Kom) and corresponding octanol-water partition coefficients (Kow) for different classes of compounds. The large solubility disparity in SOM between polar and nonpolar solutes suggests that the accurate prediction of Kom from Kow or Sw (solute water solubility) would be limited to compounds of similar polarity.

  19. Roles of urea and TMAO on the interaction between extended non-polar peptides

    Science.gov (United States)

    Su, Zhaoqian; Dias, Cristiano

    Urea and trimethylamine n-oxide (TMAO) are small molecules known to destabilize and stabilize, respectively, the structure of proteins when added to aqueous solution. To unravel the molecular mechanisms of these cosolvents on protein structure we perform explicit all-atom molecular dynamics simulations of extended poly-alanine and polyleucine dimers. We use an umbrella sampling protocol to compute the potential of mean force (PMF) of dimers at different concentrations of urea and TMAO. We find that the large non-polar side chain of leucine is affected by urea whereas backbone atoms and alanine's side chain are not. Urea is found to occupy positions between leucine's side chains that are not accessible to water. This accounts for extra Lennard-Jones bonds between urea and side chains that favors the unfolded state. These bonds compete with urea-solvent interactions that favor the folded state. The sum of these two energetic terms provide the enthalpic driving force for unfolding. We show here that this enthalpy correlate with the potential of mean force of poly-leucine dimers. Moreover, the framework developed here is general and may be used to provide insights into effects of other small molecules on protein interactions. The effect of the TMAO will be in the presentation. Department of Physics, University Heights, Newark, New Jersey, 07102-1982.

  20. Competitive and cooperative adsorption behaviors of phenol and aniline onto nonpolar macroreticular adsorbents

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wei-ming; CHEN Jin-long; PAN Bing-cai; ZHANG Quan-xing

    2005-01-01

    The adsorption behaviors of phenol and aniline on nonpolar macroreticular adsorbents( NDA100 and Amberlite XAD4) were investigated in single or binary batch system at 293K and 313K respectively in this study. The results indicated that the adsorption isotherms of phenol and aniline on both adsorbents in both systems fitted well Langmuir equation, which indicated a favourable and exothermic process. At the lower equilibrium concentrations, the individual amount adsorbed of phenol or aniline or macroreticular adsorbents in single-component systems was higher than those in binary-component systems because of the competition between phenol and aniline towards the adsorption sites. It is noteworthy, on the contrast, that at higher concentrations, the total uptake amounts of phenol and aniline in binary-component systems were obviously larger than that in single-component systems, and a large excess was noted on the adsorbent surface at saturation, which is presumably due to the cooperative effect primarily arisen from the hydrogen bonding or weak acidbase interaction between phenol and aniline.

  1. A silicone column for GC analysis of polar and nonpolar chemicals

    Science.gov (United States)

    Shen, T. C.

    1991-10-01

    The investigation of the Saturnian System is being proposed jointly by NASA and the European Space Agency (ESA). The mission is scheduled for a launch in 1996. The mission provides an opportunity for close observation and exploration of Saturn's atmosphere, the complex Saturnian System of satellites and rings, Titan (Saturn's planet-sized moon), and Saturn's magnetosphere. The mission gives special attention to Titan which is blanketed by a thick, opaque atmosphere. An atmospheric probe will be deposited into the Titan Atmosphere for in situ measurement during a slow, three hour descent to the surface. The results from this analysis may provide the information which is important to the research of chemical evolution, and the origin of life. An analytical system was developed as a part of the Titan Aerosol Gas Experiment (TAGEX), a proposed experiment for the Cassini Mission. This system will use two highly sensitive detectors, the Metastable Ionization Detector (MID) and the Ion Mobility Spectrometer (IMS). Unfortunately, when commercial columns are utilized with these highly sensitive detectors, volatile components continuously bleed from the column and interfere with the detector. In addition, light columns must be able to separate polar and nonpolar organic chemicals within 10-15 minutes under isothermal conditions for the Titan Mission. Therefore, a highly crosslinked silicone polymeric packed column was developed which is able to efficiently separate amines, alcohols, and hydrocarbons with retention times less that 15 minutes at 100 C isothermal condition.

  2. Self-consistent theory of nanodomain formation on nonpolar surfaces of ferroelectrics

    Science.gov (United States)

    Morozovska, Anna N.; Ievlev, Anton V.; Obukhovskii, Vyacheslav V.; Fomichov, Yevhen; Varenyk, Oleksandr V.; Shur, Vladimir Ya.; Kalinin, Sergei V.; Eliseev, Eugene A.

    2016-04-01

    We propose a self-consistent theoretical approach capable of describing the features of the anisotropic nanodomain formation induced by a strongly inhomogeneous electric field of a charged scanning probe microscopy tip on nonpolar cuts of ferroelectrics. We obtained that a threshold field, previously regarded as an isotropic parameter, is an anisotropic function that is specified from the polar properties and lattice pinning anisotropy of a given ferroelectric in a self-consistent way. The proposed method for the calculation of the anisotropic threshold field is not material specific, thus the field should be anisotropic in all ferroelectrics with the spontaneous polarization anisotropy along the main crystallographic directions. The most evident examples are uniaxial ferroelectrics, layered ferroelectric perovskites, and low-symmetry incommensurate ferroelectrics. Obtained results quantitatively describe the differences at several times in the nanodomain length experimentally observed on X and Y cuts of LiNb O3 and can give insight into the anisotropic dynamics of nanoscale polarization reversal in strongly inhomogeneous electric fields.

  3. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles.

    Science.gov (United States)

    Wang, Fang; Haftka, Joris J-H; Sinnige, Theo L; Hermens, Joop L M; Chen, Wei

    2014-03-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenzene) and model polar compounds (1-naphthol, 1-naphthylamine, 2,4-dichlorophenol, and 2,4-dinitrotoluene). GONPs exhibited strong adsorption affinities for all the test compounds, with distribution coefficients on the order of 10(3)-10(6) L/kg. Adsorption to GONPs is much more linear than to carbon nanotubes (CNTs) and C60, likely because GO nanoflakes are essentially individually dispersed (rendering adsorption sites of similar adsorption energy) whereas CNT/C60 are prone to bundling/aggregation. For a given compound GONPs and CNTs often exhibit different adsorption affinities, which is attributable to the differences in both the morphology and surface chemistry between the two nanomaterials. Particularly, the high surface O-content of GONPs enables strong H-bonding and Lewis acid-base interactions with hydroxyl- and amino-substituted aromatics.

  4. Molecular Dynamics Simulation of Behaviours of Non-Polar Droplets Merging and Interactions with Hydrophobic Surfaces

    Institute of Scientific and Technical Information of China (English)

    Y.Y.Yan; C.Y.Ji

    2008-01-01

    This paper presents a molecular dynamics simulation of the behaviours of non-polar droplets merging and also the fluid molecules interacting with a hydrophobic surface. Such behaviours and transport phenomena are popular in general micro-channel flow boiling and two-phase flow. The droplets are assumed to be composed of Lennards-Jones type molecules. Periodic boundary conditions are applied in three coordinate directions ofa 3-D system, where there exist two liquid droplets and their vapour. The two droplets merge when they come within the prescribed small distance. The merging of two droplets apart from each other at different initial distances is tested and the possible larger (or critical) non-dimensional distance, in which droplets merging can occur, is discussed. The evolution of the merging process is simulated numerically by employing the Molecular Dynamics (MD) method. For interactions with hydrophobic solid wail, a system with fluid confined between two walls is used to study the wetting phenomena of fluid and solid wail. The results are compared with those of hydrophilic wall to show the unique characteristics of hydrophobic interactions by microscopic methods.

  5. Composition of the non-polar extracts and antimicrobial activity of Chorisia insignis HBK. leaves

    Directory of Open Access Journals (Sweden)

    Salma Ahmed Mahmoud El Sawi

    2014-12-01

    Full Text Available Objective: To investigate the chemical constituents of the petroleum ether extract and the ether fraction of the 70% ethanol extract of Chorisia insignis HBK. leaves, as well as screen its antimicrobial activity. Methods: Different chromatographic methods were applied to investigate the non-polar extracts and the diffusion assay method was applied to study the antimicrobial activity. Results: A total of 50 compounds from the unsaponifiable matter and 20 fatty acid methyl esters were identified from the petroleum ether extract by GC/MS analysis. n-Hentriacontane, n-tritriacontane, stigmastanol, 3-methoxy-5, 6-dihydrostigmasterol, 7,8-dihydroergosterol, 4-methylcholesterol, cholestanol, multiflorenol, cholest-5-en-3-one, cholest-6-one, 5,6- dihydroergosterol, stigmasterol, dihydroalbigenin and 11-methyl-Δ5,7,9,15,17,23-triacont-hex-ene were isolated from the petroleum ether extract. Methyl heptacosanoate and quinic acid ester of rhamnose were isolated from the ether fraction of the 70% ethanol extract. Antimicrobial activity of the total alcohol extract and the successive fractions showed that the ether and the ethyl acetate fractions have potent antibacterial activity against Bacillus subtilis and Bacillus cereus. Conclusions: The ether and the ethyl acetate fractions could be used in pharmaceutical formulations as antibacterial agents against Bacillus subtilis and Bacillus cereus, and further clinical trials should be performed in order to support the above investigations.

  6. Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics

    Science.gov (United States)

    Acosta, Matias; Schmitt, Ljubomira A.; Cazorla, Claudio; Studer, Andrew; Zintler, Alexander; Glaum, Julia; Kleebe, Hans-Joachim; Donner, Wolfgang; Hoffman, Mark; Rödel, Jürgen; Hinterstein, Manuel

    2016-07-01

    Coupling of order parameters provides a means to tune functionality in advanced materials including multiferroics, superconductors, and ionic conductors. We demonstrate that the response of a frustrated ferroelectric state leads to coupling between order parameters under electric field depending on grain orientation. The strain of grains oriented along a specific crystallographic direction, , is caused by converse piezoelectricity originating from a ferrodistortive tetragonal phase. For hhh> oriented grains, the strain results from converse piezoelectricity and rotostriction, as indicated by an antiferrodistortive instability that promotes octahedral tilting in a rhombohedral phase. Both strain mechanisms combined lead to a colossal local strain of (2.4 ± 0.1) % and indicate coupling between oxygen octahedral tilting and polarization, here termed “rotopolarization”. These findings were confirmed with electromechanical experiments, in situ neutron diffraction, and in situ transmission electron microscopy in 0.75Bi1/2Na1/2TiO3-0.25SrTiO3. This work demonstrates that polar and non-polar instabilities can cooperate to provide colossal functional responses.

  7. Analysis of current transport properties in nonpolar a-plane ZnO-based Schottky diodes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hogyoung [Seoul National University of Science and Technology, Seoul (Korea, Republic of); Kim, Haeri; Kim, Dongwook [Ewha Womans University, Seoul (Korea, Republic of)

    2014-09-15

    Using current-voltage (I - V) measurements, we investigated the temperature-dependent transport properties in Ag/nonpolar a-plane ZnO Schottky diodes. The bias-dependent ideality factors were altered by the different temperatures and showed a hump at lower temperatures. The series resistance of the diode depended on the temperatures, which was related to the number of free carriers contributing to the series resistance. For high forward bias, the slope m obtained from the lnI - lnV curves decreased with increasing temperature, assuring the space-charge-limited-current (SCLC) model controlled by an exponential distribution of traps. The reverse-biased current transport was associated with the Schottky effect, with a thermally-assisted tunneling for lower voltages and the Poole-Frenkel effect for higher voltages. The density of localized states (N{sub t}) was obtained by applying the theory of SCLC transport, which yielded a N{sub t} value of 8.32 x 10{sup 11} eV{sup -1}cm{sup -3}.

  8. Electroluminescence from nonpolar n-ZnO/p-AlGaN heterojunction light-emitting diode on r-sapphire

    Science.gov (United States)

    Chen, Jingwen; Zhang, Jun; Dai, Jiangnan; Wu, Feng; Wang, Shuai; Chen, Cheng; Long, Hanling; Liang, Renli; Zhao, Chong; Chen, Changqing; Tang, Zhiwu; Cheng, Hailing; He, Yunbin; Li, Mingkai

    2017-03-01

    Nonpolar a-plane n-ZnO/p-AlGaN heterojunction light-emitting diodes (LEDs) have been prepared on r-sapphire substrate using metal organic chemical vapor deposition and a pulsed laser deposition method. The dominant electroluminescence emission at 390 nm from the interband transition in n-ZnO layer under a forward bias was observed. Interestingly, electroluminescence with emission at 385 nm based on an avalanche mechanism was also achieved under reverse bias. The mechanisms of both the electroluminescence and I–V characteristics are discussed in detail by considering the avalanche effect. It is demonstrated that the crystalline quality of n-ZnO, not the p-AlGaN, is what affects the performance of the nonpolar ZnO based avalanche LED.

  9. Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Perez, J., E-mail: jzp@crhea.cnrs.fr; Kappei, L.; Deparis, C.; Chenot, S.; Leroux, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Reveret, F.; Jamadi, O.; Leymarie, J. [Clermont Université, Institut Pascal (IP), BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, IP, F-63171 Aubière (France); Grundmann, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Institut für Experimentelle Physik II, Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnestr. 5, 04103 Leipzig (Germany); Prado, E. de [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Departamento de Física Aplicada y Electromagnetismo, Universitat de Valencia, c/Dr Moliner 50, Burjassot, Valencia 46100 (Spain)

    2016-06-20

    Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

  10. An analytical method of predicting Lee-Kesler-Ploecker binary interaction coefficients: Part 1, For non-polar hydrocarbon mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Sand, J.R.

    1994-12-31

    An analytical method is proposed for finding numerical values of binary interaction coefficients for non-polar hydrocarbon mixtures when the Lee-Kesler (LK) equation of state is applied. The method is based on solving simultaneous equations, which are Ploecker`s mixing rules for pseudocritical parameters of a mixture, and the Lee-Kesler equation for the saturation line. For a hydrocarbon mixture, the method allows prediction of {kappa}{sub ij} interaction coefficients (ICs) which are close to values obtained by processing experimental p-v-t data on the saturation line and subsequent averaging. For mixtures of hydrocarbon molecules containing from 2 to 9 carbon atoms, the divergence between calculated and experimentally based ICs is no more than {plus_minus}0.4%. The possibility of extending application of this method to other non-polar substances is discussed.

  11. ESSENTIAL OIL COMPOSITION AND ANTIMICROBIAL SCREENING OF LAUNAEA NUDICAULIS GROWN IN OMAN

    Directory of Open Access Journals (Sweden)

    Afaf Mohammed Weli et al.

    2011-12-01

    Full Text Available The essential oil of the aerial parts of Launaea nudicaulis was isolated using Clevenger's apparatus and analyzed by GC/MS instrument. Different extracts of the aerial parts of Launaea nudicaulis were tested for their activity against Staphylococcus aureus and Escherichia coli. Seventeen constituents were identified in the essential oil. The major constituents in the essential oil are limonene, Z-citral and E-citral. The three polar extracts (hydro alcoholic, Ethyl acetate and butanol extracts showed good activity against Gram +ve and Gram-ve bacteria. On the other hand, non-polar extracts (petroleum ether extract and chloroform extract did not show any antibacterial activity.

  12. Peanut Oil

    Science.gov (United States)

    ... and baby care products. Sometimes the less expensive soya oil is added to peanut oil. ... are pregnant or breast-feeding. Allergy to peanuts, soybeans, and related plants: Peanut oil can cause serious ...

  13. Oil Spills

    Science.gov (United States)

    Oil spills often happen because of accidents, when people make mistakes or equipment breaks down. Other causes include natural disasters or deliberate acts. Oil spills have major environmental and economic effects. Oil ...

  14. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem.

    Science.gov (United States)

    Humphreys, C J; Griffiths, J T; Tang, F; Oehler, F; Findlay, S D; Zheng, C; Etheridge, J; Martin, T L; Bagot, P A J; Moody, M P; Sutherland, D; Dawson, P; Schulz, S; Zhang, S; Fu, W Y; Zhu, T; Kappers, M J; Oliver, R A

    2017-02-03

    We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

  15. COMBUSTION ANALYSIS OF ALGAL OIL METHYL ESTER IN A DIRECT INJECTION COMPRESSION IGNITION ENGINE

    Directory of Open Access Journals (Sweden)

    HARIRAM V.

    2013-02-01

    Full Text Available Algal oil methyl ester was derived from microalgae (Spirulina sp. The microalga was cultivated in BG 11 media composition in a photobioreactor. Upon harvesting, the biomass was filtered and dried. The algal oil was obtained by a two step solvent extraction method using hexane and ether solvent. Cyclohexane was added to biomass to expel the remaining algal oil. By this method 92% of algal oil is obtained. Transesterification process was carried out to produce AOME by adding sodium hydroxide and methanol. The AOME was blended with straight diesel in 5%, 10% and 15% blend ratio. Combustion parameters were analyzed on a Kirloskar single cylinder direct injection compression ignition engine. The cylinder pressure characteristics, the rate of pressure rise, heat release analysis, performance and emissions were studied for straight diesel and the blends of AOME’s. AOME 15% blend exhibits significant variation in cylinder pressure and rate of heat release.

  16. Recovery of Palm Oil and Valuable Material from Oil Palm Empty Fruit Bunch by Sub-critical Water.

    Science.gov (United States)

    Ahmad Kurnin, Nor Azrin; Shah Ismail, Mohd Halim; Yoshida, Hiroyuki; Izhar, Shamsul

    2016-01-01

    Oil palm empty fruit bunch (EFB) is one of the solid wastes produced in huge volume by palm oil mill. Whilst it still contains valuable oil, approximately 22.6 million tons is generated annually and treated as solid waste. In this work, sub-critical water (sub-cw) was used to extract oil, sugar and tar from spikelet of EFB. The spikelet was treated with sub-cw between 180-280°C and a reaction time of 2 and 5 minutes. The highest yield of oil was 0.075 g-oil/g-dry EFB, obtained at 240°C and reaction time of 5 minutes. Astonishingly, oil that was extracted through this method was 84.5% of that obtained through Soxhlet method using hexane. Yield of oil extracted was strongly affected by the reaction temperature and time. Higher reaction temperature induces the dielectric constant of water towards the non-polar properties of solvent; thus increases the oil extraction capability. Meanwhile, the highest yield of sugar was 0.20 g-sugar/g-dry EFB obtained at 220°C. At this temperature, the ion product of water is high enough to enable maximum sub-critical water hydrolysis reaction. This study showed that oil and other valuable material can be recovered using water at sub-critical condition, and most attractive without the use of harmful organic solvent.

  17. Predicting Partitioning and Diffusion Properties of Nonpolar Chemicals in Biotic Media and Passive Sampler Phases by GC × GC.

    Science.gov (United States)

    Nabi, Deedar; Arey, J Samuel

    2017-02-14

    The chemical parameters needed to explain and predict bioavailability, biodynamics, and baseline toxicity are not readily available for most nonpolar chemicals detected in the environment. Here, we demonstrate that comprehensive two-dimensional gas chromatography (GC × GC) retention times can be used to predict 26 relevant properties for nonpolar chemicals, specifically: partition coefficients for diverse biotic media and passive sampler phases; aquatic baseline toxicity; and relevant diffusion coefficients. The considered biotic and passive sampler phases include membrane and storage lipids, serum and muscle proteins, carbohydrates, algae, mussels, polydimethylsiloxane, polyethylene, polyoxymethylene, polyacrylate, polyurethane, and semipermeable membrane devices. GC × GC-based chemical property predictions are validated with a compilation of 1038 experimental property data collected from the literature. As an example application, we overlay a map of baseline toxicity to fathead minnows onto the separated analyte signal of a polychlorinated alkanes (chlorinated paraffins) technical mixture that contains 7820 congeners. In a second application, GC × GC-estimated properties are used to parametrize multiphase partitioning models for mammalian tissues and organs. In a third example, we estimate chemical depuration kinetics for mussels. Finally, we illustrate an approach to screen the GC × GC chromatogram for nonpolar chemicals of potentially high concern, defined based on their GC × GC-estimated biopartitioning properties, diffusion properties, and baseline toxicity.

  18. Tailoring of polar and nonpolar ZnO planes on MgO (001) substrates through molecular beam epitaxy.

    Science.gov (United States)

    Zhou, Hua; Wang, Hui-Qiong; Liao, Xia-Xia; Zhang, Yufeng; Zheng, Jin-Cheng; Wang, Jia-Ou; Muhemmed, Emin; Qian, Hai-Jie; Ibrahim, Kurash; Chen, Xiaohang; Zhan, Huahan; Kang, Junyong

    2012-03-09

    Polar and nonpolar ZnO thin films were deposited on MgO (001) substrates under different deposition parameters using oxygen plasma-assisted molecular beam epitaxy (MBE). The orientations of ZnO thin films were investigated by in situ reflection high-energy electron diffraction and ex situ X-ray diffraction (XRD). The film roughness measured by atomic force microscopy evolved as a function of substrate temperature and was correlated with the grain sizes determined by XRD. Synchrotron-based X-ray absorption spectroscopy (XAS) was performed to study the conduction band structures of the ZnO films. The fine structures of the XAS spectra, which were consistent with the results of density functional theory calculation, indicated that the polar and nonpolar ZnO films had different electronic structures. Our work suggests that it is possible to vary ZnO film structures from polar to nonpolar using the MBE growth technique and hence tailoring the electronic structures of the ZnO films.PACS: 81; 81.05.Dz; 81.15.Hi.

  19. The nature of carrier localisation in polar and nonpolar InGaN/GaN quantum wells

    Science.gov (United States)

    Dawson, P.; Schulz, S.; Oliver, R. A.; Kappers, M. J.; Humphreys, C. J.

    2016-05-01

    In this paper, we compare and contrast the experimental data and the theoretical predictions of the low temperature optical properties of polar and nonpolar InGaN/GaN quantum well structures. In both types of structure, the optical properties at low temperatures are governed by the effects of carrier localisation. In polar structures, the effect of the in-built electric field leads to electrons being mainly localised at well width fluctuations, whereas holes are localised at regions within the quantum wells, where the random In distribution leads to local minima in potential energy. This leads to a system of independently localised electrons and holes. In nonpolar quantum wells, the nature of the hole localisation is essentially the same as the polar case but the electrons are now coulombically bound to the holes forming localised excitons. These localisation mechanisms are compatible with the large photoluminescence linewidths of the polar and nonpolar quantum wells as well as the different time scales and form of the radiative recombination decay curves.

  20. Interactions of methanol, ethanol, and 1-propanol with polar and nonpolar species in water at cryogenic temperatures.

    Science.gov (United States)

    Souda, Ryutaro

    2017-01-18

    Methanol is known as a strong inhibitor of hydrate formation, but clathrate hydrates of ethanol and 1-propanol can be formed in the presence of help gases. To elucidate the hydrophilic and hydrophobic effects of alcohols, their interactions with simple solute species are investigated in glassy, liquid, and crystalline water using temperature-programmed desorption and time-of-flight secondary ion mass spectrometry. Nonpolar solute species embedded underneath amorphous solid water films are released during crystallization, but they tend to withstand water crystallization under the coexistence of methanol additives. The CO2 additives are released after crystallization along with methanol desorption. These results suggest strongly that nonpolar species that are hydrated (i.e., caged) associatively with methanol can withstand water crystallization. In contrast, ethanol and 1-propanol additives weakly affect the dehydration of nonpolar species during water crystallization, suggesting that the former tend to be caged separately from the latter. The hydrophilic vs. hydrophobic behavior of alcohols, which differs according to the aliphatic group length, also manifests itself in the different abilities of surface segregation of alcohols and their effects on the water crystallization kinetics.

  1. Detailed investigation of optoelectronic and microstructural properties of plasma polymerized cyclohexane thin films: Dependence on the radiofrequency power

    Energy Technology Data Exchange (ETDEWEB)

    Manaa, C.; Bouaziz, L. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens Cedex 2 (France); Laboratoire de Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia); Lejeune, M.; Zellama, K., E-mail: kacem.zellama@u-picardie.fr; Benlahsen, M. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, UFR des Sciences d' Amiens, 33 rue Saint Leu, 80039 Amiens Cedex 2 (France); Kouki, F.; Mejatty, M.; Bouchriha, H. [Laboratoire de Matériaux Avancés et Phénomènes Quantiques, Université de Tunis El-Manar, Faculté des Sciences de Tunis, Campus universitaire El-Manar, 1068 Tunis (Tunisia)

    2015-06-07

    Optical properties of polymerized cyclohexane films deposited by radiofrequency plasma enhanced chemical vapor deposition technique at different radiofrequency powers onto glass and silicon substrates, are studied and correlated with the microstructure of the films, using a combination of atomic force microscopy, Raman and Fourier Transformer Infrared spectroscopy and optical measurements. The optical constants such as refractive index n, dielectric permittivity ε and extinction k and absorption α coefficients, are extracted from transmission and reflection spectra through the commercial software CODE. These constants lead, by using common theoretical models as Cauchy, Lorentz, Tauc and single effective oscillator, to the determination of the static refractive index n{sub s} and permittivity ε{sub s}, the plasma frequency ω{sub p}, the carrier density to effective mass ratio N/m{sub e}{sup *}, the optical conductivity σ{sub oc}, the optical band gap E{sub g} and the oscillation and dispersion energies E{sub 0} and E{sub d}, respectively. We find that n, ε{sub s}, ω{sub p}, N/m{sub e}{sup *}, E{sub d}, increase with radiofrequency power, while E{sub g} and E{sub 0} decrease in the same range of power. These results are well correlated with those obtained from atomic force microscopy, Raman and infrared measurements. They also indicate that the increase of the radiofrequency power promotes the fragmentation of the precursor and increases the carbon C-sp{sup 2} hybridization proportion, which results in an improvement of the optoelectronic properties of the films.

  2. Substituent effect on the molecular stability, group interaction, detonation performance, and thermolysis mechanism of nitroamino-substituted cyclopentanes and cyclohexanes

    Institute of Scientific and Technical Information of China (English)

    QIU Ling; GONG XueDong; JU XueHai; XIAO HeMing

    2008-01-01

    Density functional theory (DFT) method has been employed to study the effect of nitroamino group as a substituent in cyclopentane and cyclohexane, which usually construct the polycyclic or caged nitra-mines. Molecular structures were investigated at the B3LYP/6-31G** level, and isodesmic reactions were designed for calculating the group interactions. The results show that the group interactions ac-cord with the group additivity, increasing with the increasing number of nitroamino groups. The distance between substituents influences the interactions. Detonation performances were evaluated by the Kamlet-Jacobs equations based on the predicted densities and heats of formation, while thermal stability and pyrolysis mechanism were studied by the computations of bond dissociation energy (BDE). It is found that the contributions of nitroamino groups to the detonation heat, detonation velocity, detonation pressure, and stability all deviate from the group additivity. Only 3a, 3b, and 9a-9c may be novel potential candidates of high energy density materials (HEDMs) according to the quantitative cri-teria of HEDM (ρ≈1.9 g/cm3, D≈9.0 km/s, P≈40.0 GPa). Stability decreases with the increasing number of N-NO2 groups, and homolysis of N-NO2 bond is the initial step in the thermolysis of the title com-pounds. Coupled with the demand of thermal stability (BDE > 20 kcal/mol), only 1,2,4-trinitrotriazacy-clohexane and 1,2,4,5-tetranitrotetraazacyclohexane are suggested as feasible energetic materials.These results may provide basic information for the molecular design of HEDMs.

  3. a First-Principles Model of Fermi Resonance in the Alkyl CH Stretch Region: Application to Hydronaphthalenes, Indanes, and Cyclohexane

    Science.gov (United States)

    Sibert, Edwin; Kidwell, Nathanael; Zwier, Timothy S.

    2014-06-01

    The infrared (IR) spectroscopy of the alkyl CH stretch region (2750-3000 cm-1) of a series of bicyclic hydrocarbons and free radicals has been studied under supersonic expansion cooling in the gas phase, and compared with a theoretical model that describes the local mode stretch-bend Fermi resonance interactions. The double resonance method of fluorescence-dip infrared (FDIR) spectroscopy was used on the stable molecules 1,2-dihydronaphthalene, 1,4-dihydronaphthalene, tetralin, indene, and indane using the S_0-S_1 origin transition as a monitor of transitions. Resonant ion-dip infrared (RIDIR) spectra were recorded for the trihydronaphthyl (THN) and inden-2-yl methyl (I2M) radicals. The previously developed model Hamiltonian [J. Chem. Phys. 138 064308 (2013)] incorporates cubic stretch-bend coupling with parameters obtained from density functional theory methods. Full dimensional calculations are compared to reduced dimensional Hamiltonian results in which anharmonic CH streches and CH_2 scissor modes are Fermi coupled. Excellent agreement between theoretical results is found. Scale factors of select terms in the reduced dimensional Hamiltonian, obtained by fitting the theoretical Hamiltonian predictions to the experimental spectra, are found to be similar to previous work. The resulting Hamiltonian predicts successfully all the major spectral features considered in this study. A simplified model is introduced in which the CH_2 groups are decoupled. This model enables the assignment of many of the spectral features. The model results are extended to describe the CH stretch spectrum of the chair and twist-boat conformers of cyclohexane. The chair conformer is used to illustrate the shortcomings of the CH_2 coupling model.

  4. Rare earth oxides doped NiO/γ-Al2O3 catalyst for oxidative dehydrogenation of cyclohexane

    Institute of Scientific and Technical Information of China (English)

    Hany M AbdelDayem; M Faiz; Hesham S Abdel-Samad; Salah A Hassan

    2015-01-01

    The effect of rare earth oxides (RE=Ce, La, Gd, and Dy) doping of alumina support in NiO/γ-Al2O3 system was investi-gated on its catalytic performance in oxidative dehydrogenation (ODH) of cyclohexane. The physicochemical properties of various samples were followed up through N2 physisorption, temperature programmed reduction (H2-TPR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and potentiometric acid-base titration techniques. In the parent NiO/γ-Al2O3 catalyst, Ni species were found to be strongly interacted with alumina surface. Addition of rare earth dopants toγ-Al2O3 in the catalyst system affected the nickel-alumina interaction and resulted in significant modifications in the catalytic performances in the ODH reaction. The results re-vealed the beneficial role of both La2O3 and Gd2O3 doping in enhancing the ODH catalytic activity and selectivity to cyclohexene. H2-TPR and XPS results indicated that majority of Ni species in NiO/La2O3 modifiedγ-Al2O3 were more weakly interacted with La2O3 and alumina whereas both NiO like species and nickel aluminate were present on the surface. Doping with cerium or dyspro-sium increased the nickel-support interaction and led to a decrease in surface nickel concentration. In case of doping with Ce, surface concentration of cerium oxide was higher than those of the other RE oxides; the doped catalyst reached its steady state activity faster than the other catalysts. The acid-base results suggested that RE metals were interacted most likely with acidic surface hydroxyl groups. The degree of nickel-alumina interaction decreased in the following order: LaAl>GdAl>CeAl>DyAl.

  5. Comparative Study of the Characteristics of the Basal Plane Stacking Faults of Nonpolar a-Plane and Semipolar (11(2)2) GaN

    Institute of Scientific and Technical Information of China (English)

    XU Sheng-Rui; HAO Yue; LIN Zhi-Yu; XUE Xiao-Yong; LIU Zi-Yang; MA Jun-Cai; JIANG Teng; MAO Wei; WANG Dang-Hui; ZHANG Jin-Cheng

    2012-01-01

    Nonpolar (11-20) and semipolar (11222) GaN are grown on r-plane and m-plane sapphire by MOCVD to investigate the characteristics of basal plane stacking faults (BSFs). Transmission electron microscopy reveals that the density of BSFs for the semipolar (11-22) and nonpolar a-plane GaN template is 3×105cm-1 and 8×10 cm'1, respectively. The semipolar (11-22) GaN shows an arrowhead-like structure, and the nonpolar a-plane GaN has a much smoother morphology with a streak along the c-axis. Both nonpolar (11-20) and semipolar (11-22) GaN have very strong BSF luminescence due to the optically active character of the BSFs.%Nonpolar (11(2)0) and semipolar (11(2)2) GaN are grown on r-plane and m-plane sapphire by MOCVD to investigate the characteristics of basal plane stacking faults (BSFs).Transmission electron microscopy reveals that the density of BSFs for the semipolar (11(2)2) and nonpolar a-plane GaN template is 3x105 cm-1 and 8×105 cm-1,respectively.The semipolar (11(2)2) GaN shows an arrowhead-like structure,and the nonpolar a-plane GaN has a much smoother morphology with a streak along the c-axis.Both nonpolar (11(2)0) and semipolar (11(2)2) GaN have very strong BSF luminescence due to the optically active character of the BSFs.

  6. Recent Advances in Nonpolar and Semipolar InGaN Light-Emitting Diodes (LEDs).

    Science.gov (United States)

    Jang, Jongjin; Woo, Seohwi; Min, Daehong; Nam, Okhyun

    2015-03-01

    The III-nitrides have attracted much attention because of their applicability in optoelectronic devices, whose emission wavelengths range from green to ultraviolet light due to their wide band gap. However, conventional c-plane GaN-based devices are influenced significantly by spontaneous and piezoelectric polarization effects, which could pose a limitation for increased luminous efficiency as a result of the quantum confined stark effect. Since the early 2000s, many groups have tried to solve these problems by examining the growth of GaN on non- or semipolar surface planes. High power non- and semipolar LEDs can be realized by the growth of a thick active layer. In addition, it is expected that it is possible to grow nonpolar InGaN LEDs with high quality p-GaN layers due to lower hole activation energy, and also long-wavelength semipolar InGaN LEDs because of the capacity for high indium incorporation in the quantum wells (QWs). However, non- and semipolar structures grown on sapphire substrate usually contain a high density of basal stacking faults and threading dislocations. For this reason, the growth of non- and semipolar GaN-based LEDs on a sapphire substrate has been attempted through the introduction of defect reduction techniques such as epitaxial lateral overgrowth, patterned sapphire substrate and re-growth techniques on a porous GaN layer, etc. Also, some researchers have grown high quality non- and semipolar GaN-based LEDs using non- and semipolar freestanding GaN substrates. In this review paper, we introduce and discuss recent progress in the development of non- and semipolar GaN-based LEDs and freestanding GaN substrates.

  7. Schottky contact formation on polar and non-polar AlN

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, Pramod; Bryan, Isaac; Bryan, Zachary; Tweedie, James; Kirste, Ronny; Collazo, Ramon; Sitar, Zlatko [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States)

    2014-11-21

    The interfaces of m- and c-plane AlN with metals of different work functions and electro-negativities were characterized and the Schottky barrier heights were measured. The Schottky barrier height was determined by measuring the valence band maximum (VBM) with respect to the Fermi level at the surface (interface) before (after) metallization. VBM determination included accurate modeling and curve fitting of density of states at the valence band edge with the XPS data. The experimental behavior of the barrier heights could not be explained by the Schottky-Mott model and was modeled using InterFace-Induced Gap States (IFIGS). A slope parameter (S{sub X}) was used to incorporate the density of surface states and is a measure of Fermi level pinning. The experimental barriers followed theoretical predictions with a barrier height at the surface Fermi level (Charge neutrality level (CNL)) of ∼2.1 eV (∼2.7 eV) on m-plane (c-plane) and S{sub X} ∼ 0.36 eV/Miedema unit. Slope parameter much lower than 0.86 implied a surface/interface states dominated behavior with significant Fermi level pinning and the measured barrier heights were close to the CNL. Titanium and zirconium provided the lowest barriers (1.6 eV) with gold providing the highest (2.3 eV) among the metals analyzed on m-plane. It was consistently found that barrier heights decreased from metal polar to non-polar surfaces, in general, due to an increasing CNL. The data indicated that charged IFIGS compensate spontaneous polarization charge. These barrier height and slope parameter measurements provided essential information for designing Schottky diodes and other contact-based devices on AlN.

  8. Nitrobenzene anti-parallel dimer formation in non-polar solvents

    Directory of Open Access Journals (Sweden)

    Toshiyuki Shikata

    2014-06-01

    Full Text Available We investigated the dielectric and depolarized Rayleigh scattering behaviors of nitrobenzene (NO2-Bz, which is a benzene mono-substituted with a planar molecular frame bearing the large electric dipole moment 4.0 D, in non-polar solvents solutions, such as tetrachloromethane and benzene, at up to 3 THz for the dielectric measurements and 8 THz for the scattering experiments at 20 °C. The dielectric relaxation strength of the system was substantially smaller than the proportionality to the concentration in a concentrated regime and showed a Kirkwood correlation factor markedly lower than unity; gK ∼ 0.65. This observation revealed that NO2-Bz has a tendency to form dimers, (NO2-Bz2, in anti-parallel configurations for the dipole moment with increasing concentration of the two solvents. Both the dielectric and scattering data exhibited fast and slow Debye-type relaxation modes with the characteristic time constants ∼7 and ∼50 ps in a concentrated regime (∼15 and ∼30 ps in a dilute regime, respectively. The fast mode was simply attributed to the rotational motion of the (monomeric NO2-Bz. However, the magnitude of the slow mode was proportional to the square of the concentration in the dilute regime; thus, the mode was assigned to the anti-parallel dimer, (NO2-Bz2, dissociation process, and the slow relaxation time was attributed to the anti-parallel dimer lifetime. The concentration dependencies of both the dielectric and scattering data show that the NO2-Bz molecular processes are controlled through a chemical equilibrium between monomers and anti-parallel dimers, 2NO2-Bz ↔ (NO2-Bz2, due to a strong dipole-dipole interaction between nitro groups.

  9. Simultaneous detection of polar and nonpolar compounds by ambient mass spectrometry with a dual electrospray and atmospheric pressure chemical ionization source.

    Science.gov (United States)

    Cheng, Sy-Chyi; Jhang, Siou-Sian; Huang, Min-Zong; Shiea, Jentaie

    2015-02-03

    A dual ionization source combining electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) was developed to simultaneously ionize both polar and nonpolar compounds. The source was constructed by inserting a fused silica capillary into a stainless steel column enclosed in a glass tube. A high dc voltage was applied to a methanol solution flowing in the fused silica capillary to generate an ESI plume at the capillary tip. A high ac voltage was applied to a ring electrode attached to the glass tube to generate plasma from the nitrogen gas flowing between the glass tube and the stainless steel column. The concentric arrangement of the ESI plume and the APCI plasma in the source ensured that analytes entering the ionization region interacted with both ESI and APCI primary ion species generated in the source. Because the high voltages required for ESI and APCI were independently applied and controlled, the dual ion source could be operated in ESI-only, APCI-only, or ESI+APCI modes. Analytes were introduced into the ESI and/or APCI plumes by irradiating sample surfaces with a continuous-wavelength laser or a pulsed laser beam. Analyte ions could also be produced by directing the dual ESI+APCI source toward sample surfaces for desorption and ionization. The ionization mechanisms involved in the dual ion source include Penning ionization, ion molecule reactions, and fused-droplet electrospray ionization. Standards of polycyclic aromatic hydrocarbons, angiotensin I, lidocaine, ferrocene, diesel, and rosemary oils were used for testing. Protonated analyte ions were detected in ESI-only mode, radical cations were detected in APCI-only mode, and both types of ions were detected in ESI+APCI mode.

  10. Oil recovery from petroleum sludge through ultrasonic assisted solvent extraction.

    Science.gov (United States)

    Hu, Guangji; Li, Jianbing; Huang, Shuhui; Li, Yubao

    2016-09-18

    The effect of ultrasonic assisted extraction (UAE) process on oil recovery from refinery oily sludge was examined in this study. Two types of UAE treatment including UAE probe (UAEP) system and UAE bath (UAEB) system were investigated. Their oil recovery efficiencies were compared to that of mechanical shaking extraction (MSE). Three solvents including cyclohexane (CHX), ethyl acetate (EA), and methyl ethyl ketone (MEK) were examined as the extraction solvents. The influence of experimental factors on oil and solvent recovery was investigated using an orthogonal experimental design. Results indicated that solvent type, solvent-to-sludge (S/S) ratio, and treatment duration could have significant effects on oil recovery in UAE treatment. Under the optimum conditions, UAEP treatment can obtain an oil recovery of 68.8% within 20 s, which was higher than that (i.e., 62.0%) by MSE treatment after 60 min' extraction. UAEB treatment can also obtain a promising oil recovery within shorter extraction duration (i.e., 15 min) than MSE. UAE was thus illustrated as an effective and improved approach for oily sludge recycling.

  11. A novel three-dimensional Zn(II) coordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands.

    Science.gov (United States)

    Zhong, Kai-Long

    2014-02-01

    In the Zn(II) compound poly[[bis(μ3-cyclohexane-1,3,5-tricarboxylato)bis[μ3-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate], {[Zn3(C18H18N6)2(C9H9O6)2]·6H2O}n, based on mixed 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands, there are two types of crystallographically independent Zn(II) centres, one in a general position and one on a crystallographic twofold axis. They have similar fourfold distorted tetrahedral coordination geometries, ligated by two monodentate carboxylate groups from two cyclohexane-1,3,5-tricarboxylate ligands and by two N atoms from two 1,3,5-tris(imidazol-1-ylmethyl)benzene ligands. The cyclohexane-1,3,5-tricarboxylate anions link the Zn(II) cations to generate a two-dimensional layered metal-organic structure running parallel to the (201) plane. Adjacent layers are further connected by tripodal 1,3,5-tris(imidazol-1-ylmethyl)benzene ligands, resulting in a three-dimensional network. The solvent water molecules are linked to the cyclohexane-1,3,5-tricarboxylate ligands via water-carboxylate O-H···O hydrogen bonds.

  12. Cyclohexane-1,2-dicarboxylic acid diisononyl ester and metabolite effects on rat epididymal stromal vascular fraction differentiation of adipose tissue

    Energy Technology Data Exchange (ETDEWEB)

    Campioli, Enrico [Research Institute of the McGill University Health Centre (Canada); Department of Medicine, McGill University, Montréal, Québec (Canada); Duong, Tam B. [Research Institute of the McGill University Health Centre (Canada); Deschamps, François [Synthèse AptoChem Inc., Montréal, Québec (Canada); Papadopoulos, Vassilios, E-mail: vassilios.papadopoulos@mcgill.ca [Research Institute of the McGill University Health Centre (Canada); Department of Medicine, McGill University, Montréal, Québec (Canada); Department of Biochemistry, McGill University, Montréal, Québec (Canada); Department of Pharmacology and Therapeutics, McGill University, Montréal, Québec (Canada)

    2015-07-15

    Plastics are generally mixed with additives like plasticizers to enhance their flexibility, pliability, and elasticity proprieties. Plasticizers are easily released into the environment and are absorbed mainly through ingestion, dermal contact, and inhalation. One of the main classes of plasticizers, phthalates, has been associated with endocrine and reproductive diseases. In 2002, 1,2-cyclohexane dicarboxylic acid diisononyl ester (DINCH) was introduced in the market for use in plastic materials and articles intended to come into contact with food, and it received final approval from the European Food Safety Authority in 2006. At present, there is limited knowledge about the safety and potential metabolic and endocrine-disrupting properties of DINCH and its metabolites. The purpose of this study was to evaluate the biological effects of DINCH and its active metabolites, cyclohexane-1,2-dicarboxylic acid (CHDA) and cyclohexane-1,2-dicarboxylic acid mono isononyl ester (MINCH), on rat primary stromal vascular fraction (SVF) of adipose tissue. DINCH and its metabolite, CHDA, were not able to directly affect SVF differentiation. However, exposure of SVF to 50 μM and 100 μM concentrations of MINCH affected the expression of Cebpa and Fabp4, thus inducing SVF preadipocytes to accumulate lipids and fully differentiate into mature adipocytes. The effect of MINCH was blocked by the specific peroxisome proliferator-activated receptor (PPAR)-α antagonist, GW6471. Taken together, these results suggest that MINCH is a potent PPAR-α agonist and a metabolic disruptor, capable of inducing SVF preadipocyte differentiation, that may interfere with the endocrine system in mammals. - Highlights: • DINCH and CHDA did not affect the adipogenesis of the SVF. • MINCH affected the adipogenesis of the SVF. • MINCH effect was blocked by the specific PPAR-α antagonist GW6471. • MINCH exerted a similar effect as MEHP on SVF adipogenesis. • DINCH/MINCH are potential metabolic

  13. Cyclohexane-1,2-dicarboxylic acid diisononyl ester and metabolite effects on rat epididymal stromal vascular fraction differentiation of adipose tissue.

    Science.gov (United States)

    Campioli, Enrico; Duong, Tam B; Deschamps, François; Papadopoulos, Vassilios

    2015-07-01

    Plastics are generally mixed with additives like plasticizers to enhance their flexibility, pliability, and elasticity proprieties. Plasticizers are easily released into the environment and are absorbed mainly through ingestion, dermal contact, and inhalation. One of the main classes of plasticizers, phthalates, has been associated with endocrine and reproductive diseases. In 2002, 1,2-cyclohexane dicarboxylic acid diisononyl ester (DINCH) was introduced in the market for use in plastic materials and articles intended to come into contact with food, and it received final approval from the European Food Safety Authority in 2006. At present, there is limited knowledge about the safety and potential metabolic and endocrine-disrupting properties of DINCH and its metabolites. The purpose of this study was to evaluate the biological effects of DINCH and its active metabolites, cyclohexane-1,2-dicarboxylic acid (CHDA) and cyclohexane-1,2-dicarboxylic acid mono isononyl ester (MINCH), on rat primary stromal vascular fraction (SVF) of adipose tissue. DINCH and its metabolite, CHDA, were not able to directly affect SVF differentiation. However, exposure of SVF to 50 μM and 100 μM concentrations of MINCH affected the expression of Cebpa and Fabp4, thus inducing SVF preadipocytes to accumulate lipids and fully differentiate into mature adipocytes. The effect of MINCH was blocked by the specific peroxisome proliferator-activated receptor (PPAR)-α antagonist, GW6471. Taken together, these results suggest that MINCH is a potent PPAR-α agonist and a metabolic disruptor, capable of inducing SVF preadipocyte differentiation, that may interfere with the endocrine system in mammals. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. A combined interfacial and in-situ polymerization strategy to construct well-defined core-shell epoxy-containing SiO2-based microcapsules with high encapsulation loading, super thermal stability and nonpolar solvent tolerance

    Directory of Open Access Journals (Sweden)

    Yin Jia

    2016-10-01

    Full Text Available SiO2-based microcapsules containing hydrophobic molecules exhibited potential applications such as extrinsic self-healing, drug delivery, due to outstanding thermal and chemical stability of SiO2. However, to construct SiO2-based microcapsules with both high encapsulation loading and long-term structural stability is still a troublesome issue, limiting their further utilization. We herein design a single-batch route, a combined interfacial and in-situ polymerization strategy, to fabricate epoxy-containing SiO2-based microcapsules with both high encapsulation loading and long-term structural stability. The final SiO2-based microcapsules preserve high encapsulation loading of 85.7 wt% by controlling exclusively hydrolysis and condensed polymerization at oil/water interface in the initial interfacial polymerization step. In the subsequent in-situ polymerization step, the initial SiO2-based microcapsules as seeds could efficiently harvest SiO2 precursors and primary SiO2 particles to finely tune the SiO2 wall thickness, thereby enhancing long-term structural stability of the final SiO2-based microcapsules including high thermal stability with almost no any weight loss until 250°C, and strong tolerance against nonpolar solvents such as CCl4 with almost unchanged core-shell structure and unchanged core weight after immersing into strong solvents for up to 5 days. These SiO2-based microcapsules are extremely suited for processing them into anticorrosive coating in the presence of nonpolar solvents for self-healing application.

  15. (±)-trans-6,6'-Dieth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol monohydrate.

    Science.gov (United States)

    Mohan, Nithya; Sreejith, S S; Sithambaresan, M; Kurup, M R Prathapachandra

    2014-02-01

    In the title hydrate, C24H30N2O4·H2O, the organic mol-ecule adopts an E conformation with respect to the azomethine double bonds. The cyclo-hexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6 (2)°. Two intra-molecular O-H⋯N hydrogen bonds are present. In the crystal, the components are linked by O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions, generating a three-dimensional supramolecular architecture.

  16. (±-trans-6,6′-Diethoxy-2,2′-[cyclohexane-1,2-diylbis(nitrilomethanylylidene]diphenol monohydrate

    Directory of Open Access Journals (Sweden)

    Nithya Mohan

    2014-02-01

    Full Text Available In the title hydrate, C24H30N2O4·H2O, the organic molecule adopts an E conformation with respect to the azomethine double bonds. The cyclohexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6 (2°. Two intramolecular O—H...N hydrogen bonds are present. In the crystal, the components are linked by O–H...O hydrogen bonds and weak C—H...π interactions, generating a three-dimensional supramolecular architecture.

  17. Polymer-modified copper catalysts on carbon-containing support for reactions of H2O2 decomposition and cyclohexane oxidation

    Directory of Open Access Journals (Sweden)

    S. Auezkhanova

    2012-12-01

    Full Text Available Polymer-copper catalysts supported on a carbon-containing sorbent(CS, obtained by rice husk pyrolysis have been studied in the reactions of hydrogen peroxide decomposition and cyclohexane oxidation by hydrogen peroxide at 40°C and atmospheric pressure. The effect of the polymer nature on the activity of the developed catalysts have been shown. Polyhexamethyleneguanidine (PHMG was an optimal modifier for the developed catalysts. The calculated number of catalytic cycles (TON for 7% Cu-PGMG/CS was 450.

  18. Cyclohexane-1,2-dione hydrolase from denitrifying Azoarcus sp. strain 22Lin, a novel member of the thiamine diphosphate enzyme family.

    Science.gov (United States)

    Steinbach, Alma K; Fraas, Sonja; Harder, Jens; Tabbert, Anja; Brinkmann, Henner; Meyer, Axel; Ermler, Ulrich; Kroneck, Peter M H

    2011-12-01

    Alicyclic compounds with hydroxyl groups represent common structures in numerous natural compounds, such as terpenes and steroids. Their degradation by microorganisms in the absence of dioxygen may involve a C-C bond ring cleavage to form an aliphatic intermediate that can be further oxidized. The cyclohexane-1,2-dione hydrolase (CDH) (EC 3.7.1.11) from denitrifying Azoarcus sp. strain 22Lin, grown on cyclohexane-1,2-diol as a sole electron donor and carbon source, is the first thiamine diphosphate (ThDP)-dependent enzyme characterized to date that cleaves a cyclic aliphatic compound. The degradation of cyclohexane-1,2-dione (CDO) to 6-oxohexanoate comprises the cleavage of a C-C bond adjacent to a carbonyl group, a typical feature of reactions catalyzed by ThDP-dependent enzymes. In the subsequent NAD(+)-dependent reaction, 6-oxohexanoate is oxidized to adipate. CDH has been purified to homogeneity by the criteria of gel electrophoresis (a single band at ∼59 kDa; calculated molecular mass, 64.5 kDa); in solution, the enzyme is a homodimer (∼105 kDa; gel filtration). As isolated, CDH contains 0.8 ± 0.05 ThDP, 1.0 ± 0.02 Mg(2+), and 1.0 ± 0.015 flavin adenine dinucleotide (FAD) per monomer as a second organic cofactor, the role of which remains unclear. Strong reductants, Ti(III)-citrate, Na(+)-dithionite, and the photochemical 5-deazaflavin/oxalate system, led to a partial reduction of the FAD chromophore. The cleavage product of CDO, 6-oxohexanoate, was also a substrate; the corresponding cyclic 1,3- and 1,4-diones did not react with CDH, nor did the cis- and trans-cyclohexane diols. The enzymes acetohydroxyacid synthase (AHAS) from Saccharomyces cerevisiae, pyruvate oxidase (POX) from Lactobacillus plantarum, benzoylformate decarboxylase from Pseudomonas putida, and pyruvate decarboxylase from Zymomonas mobilis were identified as the closest relatives of CDH by comparative amino acid sequence analysis, and a ThDP binding motif and a 2-fold Rossmann fold

  19. Chemoenzymatic preparation of optically active trans-cyclohexane-1,2-diamine derivatives: an efficient synthesis of the analgesic U-(-)-50,488.

    Science.gov (United States)

    González-Sabín, Javier; Gotor, Vicente; Rebolledo, Francisca

    2004-11-05

    Stereoespecific syntheses of (+/-)-trans-N,N-cyclohexane-1,2-diamines ((+/-)-4 a-g) were carried out from the corresponding (+/-)-trans-N,N-dialkylaminocyclohexanols by successive treatment with mesyl chloride and aqueous ammonia. The stereochemical outcome indicates the formation of a meso-aziridinium ion intermediate. Kinetic resolutions of diamines (+/-)-4 were efficiently accomplished in aminolysis reactions catalyzed by lipase B from Candida antarctica with ethyl acetate as the solvent and acyl donor. Acetamides and the remaining diamines, isolated as the benzyloxycarbonyl derivatives, were obtained with very high ee values (92-99%). One of the carbamates was used as a precursor of the analgesic U-(-)-50,488.

  20. Interconvertions between delta-lactam and delta-lactone derivatives initiated by unique transannular interactions of the rigid cyclohexane boat structure in pentacycloundecane.

    Science.gov (United States)

    Kruger, Hendrik G; Martins, Frans J C; Viljoen, Agatha M

    2004-07-09

    The pentacycloundecane (PCU) cage structure resembles a perfect boat conformation, and for the first time unique lactam/lactone interconversions on the flagpole carbons of a cyclohexane boat structure are reported. The syntheses of a novel dihydroxy-PCU-delta-lactone and two novel N-substituted PCU-delta-lactams are reported. Hydrolysis of some of the PCU-delta-lactam compounds produced delta-lactones, and reaction of the lactones with ammonia or primary amines again produced delta-lactams. Reaction mechanisms to account for the unusual interconversion reactions induced by transannular interactions are proposed.

  1. Oil risk in oil stocks

    NARCIS (Netherlands)

    Scholtens, Bert; Wang, L

    2008-01-01

    We assess the oil price sensitivities and oil risk premiums of NYSE listed oil & gas firms' returns by using a two-step regression analysis under two different arbitrage pricing models. Thus, we apply the Fama and French (1992) factor returns in a study of oil stocks. In all, we find that the return

  2. Oil risk in oil stocks

    NARCIS (Netherlands)

    Scholtens, Bert; Wang, L

    2008-01-01

    We assess the oil price sensitivities and oil risk premiums of NYSE listed oil & gas firms' returns by using a two-step regression analysis under two different arbitrage pricing models. Thus, we apply the Fama and French (1992) factor returns in a study of oil stocks. In all, we find that the return

  3. Nozzleless Fabrication of Oil-Core Biopolymeric Microcapsules by the Interfacial Gelation of Pickering Emulsion Templates.

    Science.gov (United States)

    Leong, Jun-Yee; Tey, Beng-Ti; Tan, Chin-Ping; Chan, Eng-Seng

    2015-08-05

    Ionotropic gelation has been an attractive method for the fabrication of biopolymeric oil-core microcapsules due to its safe and mild processing conditions. However, the mandatory use of a nozzle system to form the microcapsules restricts the process scalability and the production of small microcapsules (palm olein, cyclohexane, dichloromethane, and toluene). In addition, small microcapsules with a mean size smaller than 100 μm can be produced by selecting the appropriate conventional emulsification methods available to prepare the Pickering emulsion. The simplicity and versatility of this method allows biopolymeric microcapsules to be fabricated with ease by ionotropic gelation for numerous applications.

  4. Chemical Composition of Vegetative Parts and Flowers Essential Oils of Wild Anvillea garcinii Grown in Saudi Arabia

    Directory of Open Access Journals (Sweden)

    Merajuddin Khan

    2016-03-01

    Full Text Available The flowers and vegetative parts essential oils of Anvillea garcinii were analyzed by GC-FID and GC-MS using polar and nonpolar columns which led to the identification of total 140 compounds from both oils, among which 130 compounds were identified for the first time in the genus Anvillea. In the flowers oil 126 compounds were identified, whereas 119 compounds were identified in the vegetative parts oil of A. garcinii representing 95.7% and 94.9% of the total oil composition, respectively. The major components in the flowers oil were bornyl acetate (33.7%, cis-nerolidol (7.3% and camphene (6.1%. In contrast, the major compounds in the vegetative parts oil were cis-nerolidol (16.0%, terpine n-4-ol (10.4% and cabreuva oxide B (6.4%.

  5. Kinetic and fluid descriptions of charged particle swarms in gases and nonpolar fluids: Theory and applications

    Science.gov (United States)

    Dujko, Sasa

    2016-09-01

    In this work we review the progress achieved over the last few decades in the fundamental kinetic theory of charged particle swarms with the focus on numerical techniques for the solution of Boltzmann's equation for electrons, as well as on the development of fluid models. We present a time-dependent multi term solution of Boltzmann's equation valid for electrons and positrons in varying configurations of electric and magnetic fields. The capacity of a theory and associated computer code will be illustrated by considering the heating mechanisms for electrons in radio-frequency electric and magnetic fields in a collision-dominated regime under conditions when electron transport is greatly affected by non-conservative collisions. The kinetic theory for solving the Boltzmann equation will be followed by a fluid equation description of charged particle swarms in both the hydrodynamic and non-hydrodynamic regimes, highlighting (i) the utility of momentum transfer theory for evaluating collisional terms in the balance equations and (ii) closure assumptions and approximations. The applications of this theory are split into three sections. First, we will present our 1.5D model of Resistive Plate Chambers (RPCs) which are used for timing and triggering purposes in many high energy physics experiments. The model is employed to study the avalanche to streamer transition in RPCs under the influence of space charge effects and photoionization. Second, we will discuss our high-order fluid model for streamer discharges. Particular emphases will be placed on the correct implementation of transport data in streamer models as well as on the evaluation of the mean-energy-dependent collision rates for electrons required as an input in the high-order fluid model. In the last segment of this work, we will present our model to study the avalanche to streamer transition in non-polar fluids. Using a Monte Carlo simulation technique we have calculated transport coefficients for electrons in

  6. White light-emitting diodes based on nonpolar and semipolar gallium nitride orientations

    Science.gov (United States)

    Demille, Natalie Fellows

    Gallium nitride has become one of the key components when fabricating white light-emitting diodes. Its use as the blue source in conjunction with a wavelength converter such as the yellow emitting phosphor YAG:Ce 3+ is a technology that is commercially available and usable for solid state lighting applications. Currently available white phosphor-based LEDs (pcLEDs) use the basal plane of wurtzite GaN as their source. Although research over the past couple decades has developed this technology into devices with good photometric performance and high reliability, the introduction of nonbasal plane wurtzite GaN orientations have benefits over basal plane GaN that can be incorporated into the white LED. The focus of this research deals with exploring white illumination on nonpolar and semipolar planes of GaN. Light extraction techniques will be described that allowed for high output powers and efficiencies on the c-plane as well as the (1100), (10 11), and (1122) planes of GaN. With higher performing devices, white pcLEDs were fabricated on c-plane, m-plane, and the (1011) semipolar plane. The novelty in the present research is producing white LEDs with nonbasal plane diodes which exhibit optical polarization anisotropy. This feature, absent on the basal plane, allows for tuning photometric quantities both electrically and optically. This is demonstrated on pcLEDs as well as dichromatic LEDs comprised solely of InGaN diodes. As a consequence of these measurements, an apparent optical polarization was seen to be occurring in the luminescence of the YAG:Ce3+ when the system absorbed linearly polarized light. Polarized emission in YAG:Ce3+ was explored by obtaining single crystals of YAG:Ce3+ with different planar orientations. The experiments led to the conclusion that crystal orientation plays no part in the optical polarization. It is suggested that the cause is a result of electric dipole transitions given by various selection rules between the Ce 3+ ion's 4f and 5d

  7. Effects of {beta}-polynitration on the catalytic efficiency of ruthenium porphyrins in cyclohexane oxidation; Efeitos da {beta}-polinitracao na eficiencia catalitica de rutenioporfirinas em reacoes de oxidacao de cicloexano

    Energy Technology Data Exchange (ETDEWEB)

    Guimaraes, Christian Alexander; Santos, Mirian Cristina dos; Moraes, Margarida de [Sao Carlos Univ., SP (Brazil). Dept. de Quimica]. E-mail: marga@dq.ufscar.br

    2004-04-01

    Ruthenium porphyrins, especially with several nitro groups in b-positions, were used in the cyclohexane oxidation in the presence of iodosylbenzene, hydrogen peroxide and sodium hypochlorite as oxygen donors, under mild conditions. The b-polynitrated complexes were able to promote the catalytic cyclohexane oxidation. They show an exceptionally high catalytic efficiency and resistance to attack by strong oxidizing agents. The cyclohexane oxidation was monitored by gas chromatography and the results showed that the b-polynitrated ruthenium porphyrins are better catalysts when compared to other complexes not b-polynitrated. In all cases, the 2-phenyl substituted complexes were more efficient than 4-phenyl substituted complexes. The importance of the ortho effect to oxidation was shown. (author)

  8. New Vistas on the Anionic Polymerization of Styrene in Non-Polar Solvents by Means of Density Functional Theory

    Directory of Open Access Journals (Sweden)

    Hideo Morita

    2016-10-01

    Full Text Available The elementary processes of anionic styrene polymerization in the gas phase and in cyclohexane were studied using M062X (a recently developed density functional theory (DFT method combined with the 6-31+G(d basis sets, in order to clarify the complicated phenomena caused by the association of the active chain-ends and elucidate the details of the polymerization mechanism. Three types of HSt2Li (a model structure of polystyryllithium chain-ends were obtained; the well-known first structure in which Li is coordinated to the side chain, the second structure in which Li is coordinated to the phenyl ring, (both without the penultimate unit coordination, and the third structure in which Li is coordinated to both the chain-end unit and the penultimate styrene unit. Although the third HSt2Li is the most stable as expected, the free energy for the transition state of its reaction with styrene is higher than those for the other two transition states due to its steric hindrance. The free energy for the transition state of the reaction of the second HSt2Li with styrene is the lowest, suggesting that the route through it is the predominant reaction path. The penultimate unit effect, slower addition of styrene to HSt2Li than to HStLi, is attributed to coordination of the penultimate styrene units of the polystyryllithium dimer (one of the starting materials to its Li atoms. The calculated enthalpy for the reaction barrier of the second HSt2Li with styrene in cyclohexane was found to agree with the observed apparent activation energy in benzene.

  9. Electrically induced displacement transport of immiscible oil in saline sediments.

    Science.gov (United States)

    Pamukcu, Sibel; Shrestha, Reena A; Ribeiro, Alexandra B; Mateus, Eduardo P

    2016-08-01

    Electrically assisted mitigation of coastal sediment oil pollution was simulated in floor-scale laboratory experiments using light crude oil and saline water at approximately 1/10 oil/water (O/W) mass ratio in pore fluid. The mass transport of the immiscible liquid phases was induced under constant direct current density of 2A/m(2), without water flooding. The transient pore water pressures (PWP) and the voltage differences (V) at and in between consecutive ports lined along the test specimen cell were measured over 90days. The oil phase transport occurred towards the anode half of the test specimen where the O/W volume ratio increased by 50% over its initial value within that half-length of the specimen. In contrast, the O/W ratio decreased within the cathode side half of the specimen. During this time, the PWP decreased systematically at the anode side with oil bank accumulation. PWP increased at the cathode side of the specimen, signaling increased concentration of water there as it replaced oil in the pore space. Electrically induced transport of the non-polar, non-conductive oil was accomplished in the opposing direction of flow by displacement in absence of viscous coupling of oil-water phases.

  10. Free ion yields for nonpolar liquids exposed to 1.6-3.5 keV X-rays

    CERN Document Server

    Holroyd, R A

    1998-01-01

    The yields of free ions formed following absorption of 1.6-3.5 keV X-rays were determined for several nonpolar liquids using a conductivity technique. The yields are much less for X-rays than for gamma rays; this effect is largest for branched hydrocarbons. A minimum in yield is observed around 2 keV. The dependence of G sub f sub i sup o on X-ray energy is in good agreement with computer simulations. For tetramethylsilane a sharp dip in ion yield is observed at the Si ls -> sigma sup * resonance, indicating that the free electron yield is even less at this energy.

  11. Fluorescence and room temperature phosphorescence of 6-bromo-2-naphthol in {beta}-cyclodextrin solution and its selective molecular recognition for cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Zhai Yanqiang; Zhang Shuzhen; Xie Jianwei; Liu Changsong

    2003-10-08

    The room temperature phosphorescence (RTP) and fluorescence behavior of 6-bromo-2-naphthol (BN) in water and {beta}-cyclodextrin ({beta}-CD) aerated aqueous solution was investigated. The study of fluorescence behavior at different pH values indicated that three kinds of species of BN (protonated, uncharged and anionic species) formed 1:1 inclusion complexes with {beta}-CD, and RTP and fluorescence emission depended on the pH of the solution. The inclusion complex constants were 430{+-}25 l mol{sup -1} (pH 1.80), 840{+-}25 l mol{sup -1} (pH 5.80), 1850{+-}75 l mol{sup -1} (pH 11.50), respectively. Experimental results elucidated that RTP of the BN/{beta}-CD/cyclohexane solution came from the protonated and uncharged species of BN, but not from the anionic species, though the inclusion constant of the anionic species of BN with {beta}-CD was larger than that of the other two species of BN Selective molecular recognition of BN/{beta}-CD as an RTP sensor for 28 small organic molecules was studied, it was shown that BN/{beta}-CD could be develop as a new RTP sensor with high selectivity molecular recognition ability for cyclohexane.

  12. (2Z,2′Z,4E,4′E-4,4′-(Cyclohexane-1,2-diyldinitrilodipent-2-en-2-ol

    Directory of Open Access Journals (Sweden)

    Zhi-Rong Qu

    2008-05-01

    Full Text Available A new tetradentate chiral Schiff base ligand, C16H26N2O2, has been synthesized by the reaction of acetylacetone with (1R,2R-(−-1,2-diaminocyclohexane. Both of the molecules in the asymmetric unit are of the same chirality (R configuration, since the absolute configuration was determined by the starting reagent (1R,2R-(−-1,2-diaminocyclohexane. The six-membered cyclohexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclohexyl. At the ring substituents, large conjugated —C=N—CH=C—OH systems exist, resulting from the original ketone converted into the enol form. With H atoms excluded, the atoms of each substituent lie in the same plane. The two molecules in the asymmetric unit have almost the same structure, with slight differences in the torsion angles between the substituents and the cyclohexane ring; the corresponding N1—(C—C—Ccyclohexane torsion angles are −177.2 (3 and 179.3 (4° in one molecule and −176.5 (3 and 178.4 (4° in the other. Two intramolecular O—H...N hydrogen bonds exist in each molecule.

  13. Poly[hexa-aqua-(μ9-cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ato)trimanganese(II)].

    Science.gov (United States)

    Sun, Weixuan; Zang, Hu; Quan, Chengshi

    2013-01-01

    The asymmetric unit of the title compound, [Mn3(C12H6O12)(H2O)6] n , comprises one Mn(II) ion, one third of a cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ate anion and two aqua ligands. The anion is completed by application of a -3 axis. The Mn(II) ion is six-coordinated by six O atoms from two aqua ligands and three different cyclo-hexa-carboxyl-ate anions in an octa-hedral geometry. The six carboxyl-ate groups adopt a bridging bidentate mode to ligate the Mn(II) ions. Thus, each cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ate anion adopts a μ9-connected mode, ligating nine different Mn(II) ions and forming a three-dimensional framework. In the framework, there are strong O-H⋯O hydrogen-bonding inter-actions, which further stabilize the crystal structure.

  14. trans,cis,cis-bis(benzoato)dichlorido(cyclohexane-1R,2R-diamine)platinum(IV): a prodrug candidate for the treatment of oxaliplatin-refractory colorectal cancer.

    Science.gov (United States)

    Gandin, Valentina; Marzano, Cristina; Pelosi, Giorgio; Ravera, Mauro; Gabano, Elisabetta; Osella, Domenico

    2014-06-01

    The gold standard for the treatment of metastatic colorectal cancer consists of combination chemotherapy. Over time, however, the development of chemoresistant tumor clones leads to relapse. It may be possible to overcome oxaliplatin chemoresistance in colorectal cancer cells by exploiting a complex obtained from the insertion of the cyclohexane-1R,2R-diamine carrier ligand (the same diamine present in oxaliplatin) into an octahedral Pt(IV) scaffold with high lipophilicity conferred by two benzoate axial ligands. Herein we report the synthesis, characterization (including X-ray structure), biological activity, and cellular accumulation of trans,cis,cis-bis(benzoato)dichlorido(cyclohexane-1R,2R-diamine)platinum(IV) complex in a panel of several human cancer cell lines, including a colon carcinoma cell line resistant to oxaliplatin. The compound under investigation shows the best performance in terms of in vitro anti-proliferative activity and ability to overcome chemoresistance, with respect to oxaliplatin and some other Pt(II) reference complexes. This result is likely related to the high lipophilicity shown by the title compound that favors its cellular accumulation by passive diffusion. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Sign of the Casimir-Polder interaction between atoms and oil-water interfaces: Subtle dependence on dielectric properties

    CERN Document Server

    Boström, Mathias; Brevik, Iver; Parsons, Drew F; Sernelius, Bo E

    2012-01-01

    We demonstrate that Casimir-Polder energies between noble gas atoms (dissolved in water) and oil-water interfaces are highly surface specific. Both repulsion (e.g. hexane) and attraction (e.g. glycerol and cyclodecane) is found with different oils. For several intermediate oils (e.g. hexadecane, decane, and cyclohexane) both attraction and repulsion can be found in the same system. Near these oil-water interfaces the interaction is repulsive in the non-retarded limit and turns attractive at larger distances as retardation becomes important. These highly surface specific interactions may have a role to play in biological systems where the surface may be more or less accessible to dissolved atoms.

  16. Petroleum Oils

    Science.gov (United States)

    Different types of crude oil and refined product, of all different chemical compositions, have distinct physical properties. These properties affect the way oil spreads and breaks down, its hazard to marine and human life, and the likelihood of threat.

  17. Oil spills

    National Research Council Canada - National Science Library

    Moghissi, A.A

    1980-01-01

    Contents: Oil spills on land as potential sources of groundwater contamination / J.J. Duffy, E. Peake and M.F. Mohtadi -- Ecological effects of experimental oil spills in eastern coastal plain estuaries...

  18. Oil Shale

    Science.gov (United States)

    Birdwell, Justin E.

    2017-01-01

    Oil shales are fine-grained sedimentary rocks formed in many different depositional environments (terrestrial, lacustrine, marine) containing large quantities of thermally immature organic matter in the forms of kerogen and bitumen. If defined from an economic standpoint, a rock containing a sufficient concentration of oil-prone kerogen to generate economic quantities of synthetic crude oil upon heating to high temperatures (350–600 °C) in the absence of oxygen (pyrolysis) can be considered an oil shale.

  19. Vacuum-UV spectroscopy of interstellar ice analogs. II. Absorption cross-sections of nonpolar ice molecules

    CERN Document Server

    Cruz-Diaz, G A; Chen, Y -J; Yih, T -S

    2014-01-01

    Dust grains in cold circumstellar regions and dark-cloud interiors at 10-20 K are covered by ice mantles. A nonthermal desorption mechanism is invoked to explain the presence of gas-phase molecules in these environments, such as the photodesorption induced by irradiation of ice due to secondary ultraviolet photons. To quantify the effects of ice photoprocessing, an estimate of the photon absorption in ice mantles is required. In a recent work, we reported the vacuum-ultraviolet (VUV) absorption cross sections of nonpolar molecules in the solid phase. The aim was to estimate the VUV-absorption cross sections of nonpolar molecular ice components, including CH4, CO2, N2, and O2. The column densities of the ice samples deposited at 8 K were measured in situ by infrared spectroscopy in transmittance. VUV spectra of the ice samples were collected in the 120-160 nm (10.33-7.74 eV) range using a commercial microwave-discharged hydrogen flow lamp. We found that, as expected, solid N2 has the lowest VUV-absorption cros...

  20. Radiative recombination mechanisms in polar and non-polar InGaN/GaN quantum well LED structures

    Science.gov (United States)

    Badcock, T. J.; Ali, M.; Zhu, T.; Pristovsek, M.; Oliver, R. A.; Shields, A. J.

    2016-10-01

    We study the photoluminescence internal quantum efficiency (IQE) and recombination dynamics in a pair of polar and non-polar InGaN/GaN quantum well (QW) light-emitting diode (LED) structures as a function of excess carrier density and temperature. In the polar LED at 293 K, the variation of radiative and non-radiative lifetimes is well described by a modified ABC type model which accounts for the background carrier concentration in the QWs due to unintentional doping. As the temperature is reduced, the sensitivity of the radiative lifetime to excess carrier density becomes progressively weaker. We attribute this behaviour to the reduced mobility of the localised electrons and holes at low temperatures, resulting in a more monomolecular like radiative process. Thus we propose that in polar QWs, the degree of carrier localisation determines the sensitivity of the radiative lifetime to the excess carrier density. In the non-polar LED, the radiative lifetime is independent of excitation density at room temperature, consistent with a wholly excitonic recombination mechanism. These findings have significance for the interpretation of LED efficiency data within the context of the ABC recombination model.

  1. Effects of growth temperature on nonpolar a-plane InN grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Rajpalke, Mohana K.; Bhat, Thirumaleshwara N.; Krupanidhi, S.B. [Materials Research Centre, Indian Institute of Science, Bangalore-560012 (India); Roul, Basanta [Materials Research Centre, Indian Institute of Science, Bangalore-560012 (India); Central Research Laboratory, Bharat Electronics, Bangalore-560013 (India); Kumar, Mahesh [Materials Research Centre, Indian Institute of Science, Bangalore-560012 (India); Centre of Excellence in Information and Communication Technology, Indian Institute of Technology, Jodhpur-342011 (India); Sinha, Neeraj [Office of Principal Scientific Advisor, Government of India, New Delhi 110011 (India); Department of Materials Science, Gulbarga University, Gulbarga 585 106 (India); Jali, V.M. [Department of Physics, Gulbarga University, Gulbarga 585 106 (India)

    2014-04-15

    Nonpolar a-plane InN films were grown on r-plane sapphire substrate by plasma assisted molecular beam epitaxy with GaN underlayer. Effect of growth temperature on structural, morphological, and optical properties has been studied. The growth of nonpolar a-plane (1 1 -2 0) orientation was confirmed by high resolution X-ray diffraction study. The film grown at 500 C shows better crystallinity with the rocking curve FWHM 0.67 and 0.85 along [0 0 0 1] and [1 -1 0 0] directions, respectively. Scanning electron micrograph shows formation of Indium droplets at higher growth temperature. Room tem-perature absorption spectra show growth temperature dependent band gap variation from 0.74-0.81 eV, consistent with the expected Burstein-Moss effect. The rectifying behaviour of the I-V curve indicates the existence of Schottky barrier at the InN and GaN interface. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Chemically assisted ion beam etching of laser diode facets on nonpolar and semipolar orientations of GaN

    Science.gov (United States)

    Kuritzky, L. Y.; Becerra, D. L.; Saud Abbas, A.; Nedy, J.; Nakamura, S.; DenBaars, S. P.; Cohen, D. A.

    2016-07-01

    We demonstrate a vertical (beam etching (CAIBE) in Cl2 chemistry that is suitable for forming laser diode (LD) facets on nonpolar and semipolar oriented III-nitride devices. The etch profiles were achieved with photoresist masks and optimized CAIBE chamber conditions including the platen tilt angle and Cl2 flow rate. Co-loaded studies showed similar etch rates of ˜60 nm min-1 for (20\\bar{2}\\bar{1}),(20\\bar{2}1), and m-plane orientations. The etched surfaces of LD facets on these orientations are chemically dissimilar (Ga-rich versus N-rich), but were visually indistinguishable, thus confirming the negligible orientation dependence of the etch. Continuous-wave blue LDs were fabricated on the semipolar (20\\bar{2}\\bar{1}) plane to compare CAIBE and reactive ion etch (RIE) facet processes. The CAIBE process resulted in LDs with lower threshold current densities due to reduced parasitic mirror loss compared with the RIE process. The LER, degree of verticality, and model of the 1D vertical laser mode were used to calculate a maximum uncoated facet reflection of 17% (94% of the nominal) for the CAIBE facet. The results demonstrate the suitability of CAIBE for forming high quality facets for high performance nonpolar and semipolar III-N LDs.

  3. Effects of n-alkanes on compositions of cellular non-polar lipids in Aspergillus sp. isolated from soils

    Energy Technology Data Exchange (ETDEWEB)

    Miyazima, M.; Iida, M.; Iizuka, H.

    1985-01-01

    A strain of hydrocarbon-using filamentous fungi, Aspergillus sp. No. 250-2, was grown on n-alkanes (C/sub 11/ to C/sub 16/) and glucose as the sole carbon and energy sources, and the distribution of cellular non-polar lipids was determined. The non-polar lipids were examined by thin-layer chromatography; they were sterols, sterol esters, diglycerides, triglycerides, and free fatty acids, and the major lipids were free fatty acids and triglycerides on all substrates. Free fatty acids were mainly even-chain saturated acids on all substrates. When grown on n-C/sub 11/ to 15, the unsaturated fatty acids were mainly incorporated into triglyceride, but there were saturated fatty acids with n-C/sub 16/ and glucose. The proportion of C/sub 16/.0 acid was increased markedly in n-C/sub 16/-grown cells, but C18:0 acid was increased in glucose-grown cells. Compositions of odd-chain fatty acids were slightly increased in both free fatty acids and triglycerides from n-C/sub 15/-grown cells. It is suggested that n-alkanes as substrates influenced the incorporation of fatty acids into triglyceride.

  4. Mechanism and energetics of O and O2 adsorption on polar and non-polar ZnO surfaces

    Science.gov (United States)

    Gorai, Prashun; Seebauer, Edmund G.; Ertekin, Elif

    2016-05-01

    Polar surfaces of semiconducting metal oxides can exhibit structures and chemical reactivities that are distinct from their non-polar surfaces. Using first-principles calculations, we examine O adatom and O2 molecule adsorption on 8 different known ZnO reconstructions including Zn-terminated (Zn-ZnO) and O-terminated (O-ZnO) polar surfaces, and non-polar surfaces. We find that adsorption tendencies are largely governed by the thermodynamic environment, but exhibit variations due to the different surface chemistries of various reconstructions. The Zn-ZnO surface reconstructions which appear under O-rich and H-poor environments are found to be most amenable to O and O2 adsorption. We attribute this to the fact that on Zn-ZnO, the O-rich environments that promote O adsorption also simultaneously favor reconstructions that involve adsorbed O species. On these Zn-ZnO surfaces, O2 dissociatively adsorbs to form O adatoms. By contrast, on O-ZnO surfaces, the O-rich conditions required for O or O2 adsorption tend to promote reconstructions involving adsorbed H species, making further O species adsorption more difficult. These insights about O2 adsorption on ZnO surfaces suggest possible design rules to understand the adsorption properties of semiconductor polar surfaces.

  5. Mineral oils

    Science.gov (United States)

    Furby, N. W.

    1973-01-01

    The characteristics of lubricants made from mineral oils are discussed. Types and compositions of base stocks are reviewed and the product demands and compositions of typical products are outlined. Processes for commercial production of mineral oils are examined. Tables of data are included to show examples of product types and requirements. A chemical analysis of three types of mineral oils is reported.

  6. Oil biodegradation

    NARCIS (Netherlands)

    Rahsepar, Shokouhalsadat; Langenhoff, Alette A.M.; Smit, Martijn P.J.; Eenennaam, van Justine S.; Murk, Tinka; Rijnaarts, Huub H.M.

    2017-01-01

    During the Deepwater Horizon (DwH) oil spill, interactions between oil, clay particles and marine snow lead to the formation of aggregates. Interactions between these components play an important, but yet not well understood, role in biodegradation of oil in the ocean water. The aim of this study

  7. Formation and identification of unresolved complex mixtures in lacustrine biodegraded oil from Nanxiang Basin, China.

    Science.gov (United States)

    Guo, Pengfei; He, Sheng; Zhu, Shukui; Chai, Derong; Yin, Shiyan; Dai, Wei; Zhang, Wanfeng

    2014-01-01

    A comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC × GC/TOFMS) method has been developed for the formation and identification of unresolved complex mixtures (UCMs) in lacustrine biodegraded oils that with the same source rock, similar maturity, and increasing degradation rank from Nanxiang Basin, China. Normal alkanes, light hydrocarbons, isoprenoids, steranes, and terpanes are degraded gradually from oil B330 to oil G574. The compounds in biodegraded oil (oil G574) have fewer types, the polarity difference of compounds in different types is minor, and the relative content of individual compounds is similar. All the features make the compounds in biodegraded oil coelute in GC analysis and form the raised "baseline hump" named UCMs. By injecting standard materials and analyzing mass spectrums of target compounds, it is shown that cyclic alkanes with one to five rings are the major components of UCMs. Furthermore, UCMs were divided into six classes. Classes I and II, composed of alkyl-cyclohexanes, alkyl-naphthanes, and their isomers, are originated from the enrichment of hydrocarbons resistant to degradation in normal oils. Classes III ~ VI, composed of sesquiterpenoids, tricyclic terpanes, low molecular steranes, diasteranes, norhopanes, and their isomers, are probably from some newly formed compounds during the microbial transformation of oil.

  8. Formation and Identification of Unresolved Complex Mixtures in Lacustrine Biodegraded Oil from Nanxiang Basin, China

    Directory of Open Access Journals (Sweden)

    Pengfei Guo

    2014-01-01

    Full Text Available A comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC × GC/TOFMS method has been developed for the formation and identification of unresolved complex mixtures (UCMs in lacustrine biodegraded oils that with the same source rock, similar maturity, and increasing degradation rank from Nanxiang Basin, China. Normal alkanes, light hydrocarbons, isoprenoids, steranes, and terpanes are degraded gradually from oil B330 to oil G574. The compounds in biodegraded oil (oil G574 have fewer types, the polarity difference of compounds in different types is minor, and the relative content of individual compounds is similar. All the features make the compounds in biodegraded oil coelute in GC analysis and form the raised “baseline hump” named UCMs. By injecting standard materials and analyzing mass spectrums of target compounds, it is shown that cyclic alkanes with one to five rings are the major components of UCMs. Furthermore, UCMs were divided into six classes. Classes I and II, composed of alkyl-cyclohexanes, alkyl-naphthanes, and their isomers, are originated from the enrichment of hydrocarbons resistant to degradation in normal oils. Classes III ~ VI, composed of sesquiterpenoids, tricyclic terpanes, low molecular steranes, diasteranes, norhopanes, and their isomers, are probably from some newly formed compounds during the microbial transformation of oil.

  9. Structural stability of scandium on nonpolar GaN (112{sup ¯}0) and (101{sup ¯}0) surfaces: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    González-Hernández, Rafael, E-mail: rhernandezj@uninorte.edu.co [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia); Martínez, Gustavo; López-Perez, William [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia); Rodriguez, Jairo Arbey [Grupo de Estudio de Materiales, Departamento de Física, Universidad Nacional de Colombia, Bogotá (Colombia)

    2014-01-01

    First-principles calculations based on density-functional theory have been implemented to study the scandium (Sc) adsorption and incorporation on nonpolar GaN (112{sup ¯}0) and (101{sup ¯}0) surfaces. It is found that Sc adatom prefers to reside at bridge positions, between the hollow and top sites, on both GaN nonpolar surfaces. In addition, calculating the relative surface energy of several Sc configurations, we constructed a phase diagram showing the energetically most stable surfaces as a function of the Ga chemical potentials. Based on these results, we have found that incorporation of Sc adatoms in the Ga-substitutional site is energetically more favorable compared with the adsorption on the top layers. This effect leads to the formation of ScN interlayers on nonpolar GaN (112{sup ¯}0) and (101{sup ¯}0) surfaces, which reduces the dislocation densities between GaN and ScN.

  10. Stable nonpolar solvent droplet generation using a poly(dimethylsiloxane) microfluidic channel coated with poly-p-xylylene for a nanoparticle growth.

    Science.gov (United States)

    Lim, Heejin; Moon, SangJun

    2015-08-01

    Applications of microfluidic devices fabricated in poly(dimethylsiloxane) (PDMS) have been limited to water-based analysis rather than nonpolar solvent based chemistry due to a PDMS swelling problem that occurs by the absorption of the solvents. The absorption and swelling causes PDMS channel deformation in shape, and changes the cross sectional area making it difficult to control the flow rate and concentrations of solution in PDMS microfluidic channels. We propose that poly-p-xylylene polymers (parylenes) are chemical vapors deposited on the surfaces of PDMS channels that alleviate the effect of solvents on the absorption and swelling. The parylene coated surface sustains 3 h with a small volumetric change (less than 22 % of PDMS swelling ratio). By generating an air-nonpolar solvent interface based on droplets in PDMS channel, we confirmed poly-p-xylylene coated PDMS microfluidic channels have the potential to be applicable to nanocrystal growth using nonpolar solvents.

  11. Effects of Si-doping on structural, electrical, and optical properties of polar and non-polar AlGaN epi-layers

    Science.gov (United States)

    Yang, Hongquan; Zhang, Xiong; Wang, Shuchang; Wang, Yi; Luan, Huakai; Dai, Qian; Wu, Zili; Zhao, Jianguo; Cui, Yiping

    2016-08-01

    The polar (0001)-oriented c-plane and non-polar (11 2 bar 0) -oriented a-plane wurtzite AlGaN epi-layers were successfully grown on polar (0001)-oriented c-plane and semi-polar (1 1 bar 02) -oriented r-plane sapphire substrates, respectively with various Si-doping levels in a low pressure metal organic chemical vapor deposition (MOCVD) system. The morphological, structural, electrical, and optical properties of the polar and non-polar AlGaN epi-layers were studied with scanning electron microscopy (SEM), X-ray diffraction (XRD), Hall effect, and Raman spectroscopy. The characterization results show that Si dopants incorporated into the polar and non-polar AlGaN films induced a relaxation of compressive residual strain and a generation of biaxial tensile strain on the surface in consequence of the dislocation climbing. In particular, it was found that the Si-induced compressive strain relaxation in the non-polar AlGaN samples can be promoted by the structural anisotropy as compared with the polar counterparts. The gradually increased relaxation of compressive residual strain in both polar and non-polar AlGaN samples with increasing Si-doping level was attributed to the Si-induced enhancement in the opportunity for the dislocations to interact and annihilate. This implies that the crystal quality for both polar and non-polar AlGaN epi-layers can be remarkably improved by Si-doping.

  12. Upgrading of Bio-Oil into High-Value Hydrocarbons via Hydrodeoxygenation

    Directory of Open Access Journals (Sweden)

    Murni M. Ahmad

    2010-01-01

    Full Text Available Problem statement: World energy consumption is forecasted to grow significantly for the foreseeable future with fossil fuel remains the governing energy source. The demand in the need to explore alternative fuel source was further triggered by the overwhelmingly inconsistent cost of gasoline. Bio-oil is an alternative energy source produced from pyrolysis of biomass. However it is undesirable as a ready alternative transportation fuel due to its unfavorable nature i.e., highly oxygenated and low octane number. To overcome these physicochemical issues, hydrodeoxygenation reaction is a possible upgrading method i.e., by partial or total elimination of oxygen and hydrogenation of chemical structures. Hence, this study aimed to investigate feasible routes and to develop the process route to upgrade the pyrolytic bio-oil from biomass into value-added chemicals for the production of transportation fuel, i.e., benzene and cyclohexane, via hydrodeoxygenation process via simulation in PETRONAS iCON software. Approach: In this study, hydrodeoxygenation of phenols and substituted phenols was used to represent the hydrodeoxygenation of the major oxygen compound in bio-oil due to their low reactivity in HDO. Results: By assuming the feedstock used was 1% of the total palm shell available in Malaysia, i.e., 2,587 kg h-1 bio-oil, the simulation predicted the production of 226 kg h-1 benzene, 236 kg h-1 cyclohexane and 7 kg h-1 cyclohexene, with the yield of 34, 81 and 3% respectively. The preliminary economic potential was calculated to be positive. It was also observed that hydrogen was the limiting reactant in the hydrogenation reaction. Conclusion/Recommendations: The simulation study indicated positive technical and economic feasibility of hydrodeoxygenation of pyrolytic bio-oil from biomass into benzene and cyclohexane for the transportation fuel industry. This potential can be explored in more details and further findings can promote the prospect of co

  13. An Analytic Equation of State Based on SAFT-CP for Binary Non-Polar Alkane Mixtures Across the Critical Point

    Institute of Scientific and Technical Information of China (English)

    周文来; 密建国; 贺刚; 于燕梅; 陈健

    2003-01-01

    The description using an analytic equation of state of thermodynamic properties near the critical points of fluids and their mixtures remains a challenging problem in the area of chemical engineering. Based on the statistical associating fluid theory across the critical point (SAFT-CP), an analytic equation of state is established in this work for non-polar mixtures. With two binary parameters, this equation of state can be used to calculate not only vapor-liquid equilibria but also critical properties of binary non-polar alkane mixtures with acceptable deviations.

  14. Antimalarial activity of the bisquinoline trans-N1,N2-bis (7- chloroquinolin-4-yl)cyclohexane-1,2-diamine: Comparison of two stereoisomers and detailed evaluation of the S,S enantiomer, Ro 47-7737

    NARCIS (Netherlands)

    Ridley, R.G.; Matile, H.; Jaquet, C.; Dorn, A.; Hofheinz, W.; Leupin, W.; Masciadri, R.; Theil, F.P.; Richter, W.F.; Girometta, M.A.; Guenzi, A.; Urwyler, H.; Gocke, E.; Potthast, J.M.; Csato, M.; Thomas, A.; Peters, W.

    1997-01-01

    The S,S enantiomer of the bisquinoline trans-N1,N2-bis(7- chloroquinolin-4-yl)cyclohexane-1,2-diamine, Ro 47-7737, is significantly more potent against chloroquine-resistant Plasmodium falciparum than the R,R enantiomer and the previously described racemate. Both the enantiomers and the racemate are

  15. 反应温度和气液比对环己烷氧化反应的影响%Effect of reaction temperature and gas to liquid ratio on cyclohexane oxidation

    Institute of Scientific and Technical Information of China (English)

    张晓辉; 李惠友

    2011-01-01

    在60 kt/a环己酮的环己烷液相无催化氧化装置上,探讨了反应温度和气液比对环己烷氧化反应的转化率及选择性的影响.结果表明:控制环己烷氧化反应温度164~168℃,1#~5#反应釜各釜温差3~5℃,气液比44 ~48,氧化反应转化率达5.5%时,反应选择性仍在90%以上;装置连续运行10d,生产稳定.%The effects of reaction temperature and gas to liquid ratio on the conversion rate and selectivity of cyclohexane oxidation were discussed on a 60 kt/a non-catalyst liquid-phase cyclohexane oxidation to cyclohexanone plant. The results showed that the selectivity was still above 90% when the conversion rate of cyclohexane oxidation achieved 5.5% under the conditions as followed; cyclohexane oxidation temperature 164 - 168 ℃ , temperature difference between the reactors 1# -5# within 3 -5 ℃, gas to liquid ratio of 44 -48. The plant can be assured to operate steadily for 10 d.

  16. Ultrasonic Removal of Mucilage for Pressurized Liquid Extraction of Omega-3 Rich Oil from Chia Seeds (Salvia hispanica L.).

    Science.gov (United States)

    Castejón, Natalia; Luna, Pilar; Señoráns, Francisco J

    2017-03-29

    Chia (Salvia hispanica L.) seeds contain an important amount of edible oil rich in omega-3 fatty acids. Fast and alternative extraction techniques based on polar solvents, such as ethanol or water, have become relevant for oil extraction in recent years. However, chia seeds also contain a large amount of soluble fiber or mucilage, which makes difficult an oil extraction process with polar solvents. For that reason, the aim of this study was to develop a gentle extraction method for mucilage in order to extract chia oil with polar solvents using pressurized liquids and compare with organic solvent extraction. The proposed mucilage extraction method, using an ultrasonic probe and only water, was optimized at mild conditions (50 °C and sonication 3 min) to guarantee the omega-3 oil quality. Chia oil extraction was performed using pressurized liquid extraction (PLE) with different solvents and their mixtures at five different extraction temperatures (60, 90, 120, 150, and 200 °C). Optimal PLE conditions were achieved with ethyl acetate or hexane at 90 °C in only 10 min of static extraction time (chia oil yield up to 30.93%). In addition, chia oils extracted with nonpolar and polar solvents by PLE were analyzed by gas chromatography-mass spectrometry (GC-MS) to evaluate fatty acid composition at different extraction conditions. Chia oil contained ∼65% of α-linolenic acid regardless of mucilage extraction method, solvent, or temperature used. Furthermore, tocopherols and tocotrienols were also analyzed by HPLC in the extracted chia oils. The mucilage removal allowed the subsequent extraction of the chia oil with polar or nonpolar solvents by PLE producing chia oil with the same fatty acid and tocopherol composition as traditional extraction.

  17. A detailed kinetic study of the direct ring opening of cyclohexane and methylcyclohexane over monofunctional Ir/Al{sub 2}O{sub 3} catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Hui; Gutierrez, O.Y.; Lercher, J.A. [Technische Univ. Muenchen (Germany). Catalysis Research Center

    2011-07-01

    The present study analyses a series of Al{sub 2}O{sub 3}-supported iridium catalysts with different pretreatments and addresses the kinetic features and structural requirements of direct ring opening of cyclohexane and methylcyclohexane catalyzed by Ir in absence of acid-catalyzed ring contraction. Mild reaction conditions and high H{sub 2}/hydrocarbon ratios (200-1000) were used to improve accuracy of kinetic measurements and to negate deactivation. Isomerization and dehydrogenation pathways were suppressed to low extents (1-5%) over the weakly acidic catalysts under the reaction conditions applied. Three main observations are shown: 1) initial selectivity to ring opening products (ROPs) increases with iridium dispersion; 2) optimal H{sub 2} pressures differ not only between primary and secondary products, but also among ROPs and fragments; 3) the air-calcination step before catalyst reduction imposes a significant impact on both activity and product distribution. (orig.)

  18. Zeolite-Y entrapped Ru(III and Fe(III complexes as heterogeneous catalysts for catalytic oxidation of cyclohexane reaction

    Directory of Open Access Journals (Sweden)

    Chetan K. Modi

    2017-02-01

    Full Text Available Catalysis is probably one of the greatest contributions of chemistry to both economic growth and environmental protection. Herein we report the catalytic behavior of zeolite-Y entrapped Ru(III and Fe(III complexes with general formulae [M(VTCH2·2H2O]+-Y and [M(VFCH2·2H2O]+-Y [where, VTCH = vanillin thiophene-2-carboxylic hydrazone and VFCH = vanillin furoic-2-carboxylic hydrazone] over the oxidation of cyclohexane forming cyclohexanone and cyclohexanol. The samples were corroborated by various physico-chemical techniques. These zeolite-Y based complexes are stable and recyclable under current reaction conditions. Amongst them, [Ru(VTCH2⋅2H2O]+-Y showed higher catalytic activity (41.1% with cyclohexanone (84.6% selectivity.

  19. (3Z,3′E-3,3′-[Cyclohexane-1,2-diylbis(azanylylidene]bis(indolin-2-one N,N-dimethylformamide monosolvate dihydrate

    Directory of Open Access Journals (Sweden)

    Shaghayegh Pezeshkpour

    2012-07-01

    Full Text Available In the Schiff base molecule of the title compound, C22H20N4O2·C3H7NO·2H2O, the cyclohexane ring adopts a chair conformation with the two imine groups linked at the equatorial positions. The two indolin-2-one ring systems make a dihedral angle of 65.63 (5°. In the crystal, the Schiff base molecules are connected through bifurcated N—H...(O,N hydrogen bonds, forming inversion dimers. The water molecules link the dimers and the dimethylformamide molecules via O—H...O, O—H...N and N—H...O hydrogen bonds. Together with C—H...π and π–π [centroid–centroid distance = 3.3889 (10 Å] interactions a three-dimensional supramolecular structure is formed.

  20. Cobalt complexes with pyrazole ligands as catalyst precursors for the peroxidative oxidation of cyclohexane: X-ray absorption spectroscopy studies and biological applications.

    Science.gov (United States)

    Silva, Telma F S; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Kuznetsov, Maxim L; Fernandes, Alexandra R; Silva, Ana; Pan, Chun-Jern; Lee, Jyh-Fu; Hwang, Bing-Joe; Pombeiro, Armando J L

    2014-04-01

    [CoCl(μ-Cl)(Hpz(Ph))3]2 (1) and [CoCl2(Hpz(Ph))4] (2) were obtained by reaction of CoCl2 with HC(pz(Ph))3 and Hpz(Ph), respectively (Hpz(Ph)=3-phenylpyrazole). The compounds were isolated as air-stable solids and fully characterized by IR and far-IR spectroscopy, MS(ESI+/-), elemental analysis, cyclic voltammetry (CV), controlled potential electrolysis, and single-crystal X-ray diffraction. Electrochemical studies showed that 1 and 2 undergo single-electron irreversible Co(II)→Co(III) oxidations and Co(II)→Co(I) reductions at potentials measured by CV, which also allowed, in the case of dinuclear complex 1, the detection of electronic communication between the Co centers through the chloride bridging ligands. The electrochemical behavior of models of 1 and 2 were also investigated by density functional theory (DFT) methods, which indicated that the vertical oxidation of 1 and 2 (that before structural relaxation) affects mostly the chloride and pyrazolyl ligands, whereas adiabatic oxidation (that after the geometry relaxation) and reduction are mostly metal centered. Compounds 1 and 2 and, for comparative purposes, other related scorpionate and pyrazole cobalt complexes, exhibit catalytic activity for the peroxidative oxidation of cyclohexane to cyclohexanol and cyclohexanone under mild conditions (room temperature, aqueous H2O2). In situ X-ray absorption spectroscopy studies indicated that the species derived from complexes 1 and 2 during the oxidation of cyclohexane (i.e., Ox-1 and Ox-2, respectively) are analogous and contain a Co(III) site. Complex 2 showed low in vitro cytotoxicity toward the HCT116 colorectal carcinoma and MCF7 breast adenocarcinoma cell lines.

  1. Microstructure of non-polar GaN on LiGaO2 grown by plasma-assisted MBE.

    Science.gov (United States)

    Shih, Cheng-Hung; Huang, Teng-Hsing; Schuber, Ralf; Chen, Yen-Liang; Chang, Liuwen; Lo, Ikai; Chou, Mitch Mc; Schaadt, Daniel M

    2011-06-15

    We have investigated the structure of non-polar GaN, both on the M - and A-plane, grown on LiGaO2 by plasma-assisted molecular beam epitaxy. The epitaxial relationship and the microstructure of the GaN films are investigated by transmission electron microscopy (TEM). The already reported epi-taxial relationship and for M -plane GaN is confirmed. The main defects are threading dislocations and stacking faults in both samples. For the M -plane sample, the density of threading dislocations is around 1 × 1011 cm-2 and the stacking fault density amounts to approximately 2 × 105 cm-1. In the A-plane sample, a threading dislocation density in the same order was found, while the stacking fault density is much lower than in the M -plane sample.

  2. Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

    Science.gov (United States)

    Smirnov, A. M.; Young, E. C.; Bougrov, V. E.; Speck, J. S.; Romanov, A. E.

    2016-01-01

    We calculate the critical thickness for misfit dislocation (MD) formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs). It has been shown that there is a switch of stress relaxation modes from generation of basal slip originated MDs to PSMDs after the angle between c-axis in wurtzite crystal structure and the direction of semipolar growth reaches a particular value, e.g., ˜70° for Al0.13Ga0.87N/GaN ( h 0 h ¯ 1 ) semipolar heterostructures. This means that for some semipolar growth orientations of III-nitride heterostructures biaxial relaxation of misfit stress can be realized. The results of modeling are compared to experimental data on the onset of plastic relaxation in AlxGa1-xN/GaN heterostructures.

  3. Efficient Extraction of Astaxanthin from Phaffia rhodozyma with Polar and Non-polar Solvents after Acid Washing

    Institute of Scientific and Technical Information of China (English)

    YIN Chunhua; YANG Shuzhen; LIU Xiaolu; YAN Hai

    2013-01-01

    method of extracting astaxanthin from Phaffia rhodozyma with various solvents after acid washing was investigated.The extraction efficiency was distinctly increased after acid washing of P.rhodozyma cells.When the concentration of HCl was 0.4 mol·L-,the highest extraction efficiency of astaxanthin was achieved which was about three times higher than the control.Acetone or benzene as single polar or non-polar solvent was the most effective solvent in our research.With a combination of isopropanol and n-hexane (volume ratio of 2 ∶ 1),the maximal extraction efficiency was achieved,approximately 60% higher than that obtained with a single solvent.The liquid-solid ratio and the extracting time were also optimized.Under the optimum extraction conditions,the extraction yield of astaxanthin exceeded 98%.

  4. Simultaneous analysis method for polar and non-polar ginsenosides in red ginseng by reversed-phase HPLC-PAD.

    Science.gov (United States)

    Lee, Sa-Im; Kwon, Ha-Jeong; Lee, Yong-Moon; Lee, Je-Hyun; Hong, Seon-Pyo

    2012-02-23

    The paper describes the development of a simultaneous determination method for polar and non-polar ginsenosides in red ginseng with a reversed-phase high-performance liquid chromatography-pulsed amperometric detection method. This method could be applied directly without any pretreatment steps and enabled the performance of highly sensitive analysis within 1h. The detection (S/N=3) and quantification (S/N=10) limits for the ginsenosides ranged 0.02-0.10 ng and 0.1-0.3 ng, respectively. The linear regression coefficients ranged 0.9975-0.9998. Intra- and inter-day precisions were <9.91%. The mean recoveries ranged 98.08-103.06%. The total amount of ginsenosides in the hairy root of red ginseng was higher than that in the main root.

  5. Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

    KAUST Repository

    Smirnov, A. M.

    2016-01-20

    We calculate the critical thickness for misfit dislocation (MD) formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs). It has been shown that there is a switch of stress relaxation modes from generation of basal slip originated MDs to PSMDs after the angle between c-axis in wurtzite crystal structure and the direction of semipolar growth reaches a particular value, e.g., ∼70° for Al0.13Ga0.87N/GaN (h0h̄ 1) semipolar heterostructures. This means that for some semipolar growth orientations of III-nitride heterostructures biaxial relaxation of misfit stress can be realized. The results of modeling are compared to experimental data on the onset of plastic relaxation in AlxGa1−xN/GaN heterostructures.

  6. Interaction of Polar and Nonpolar Organic Pollutants with Soil Organic Matter: Sorption Experiments and Molecular Dynamics Simulation

    CERN Document Server

    Ahmed, Ashour A; Aziz, Saadullah G; Hilal, Rifaat H; Elroby, Shaaban A; Al-Youbi, Abdulrahman O; Leinweber, Peter; Kühn, Oliver

    2014-01-01

    The fate of organic pollutants in the environment is influenced by several factors including the type and strength of their interactions with soil components especially SOM. However, a molecular level answer to the question How organic pollutants interact with SOM? is lacking. In order to explore mechanisms of this interaction, we have developed a new SOM model followed by carrying out molecular dynamics (MD) simulations in parallel with sorption experiments. The new SOM model comprises free SOM functional groups (carboxylic acid and naphthalene) as well as SOM cavities (with two different sizes), representing the soil voids, containing the same SOM functional groups. To examine the effect of the hydrophobicity on the interaction, the organic pollutants hexachlorobenzene (HCB, non-polar) and sulfanilamide (SAA, polar) were considered. The experimental and the theoretical outcomes explored four major points regarding sorption of SAA and HCB on soil. 1. The interaction depends on the SOM chemical composition mo...

  7. Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

    Directory of Open Access Journals (Sweden)

    A. M. Smirnov

    2016-01-01

    Full Text Available We calculate the critical thickness for misfit dislocation (MD formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs. It has been shown that there is a switch of stress relaxation modes from generation of basal slip originated MDs to PSMDs after the angle between c-axis in wurtzite crystal structure and the direction of semipolar growth reaches a particular value, e.g., ∼70° for Al0.13Ga0.87N/GaN ( h 0 h ̄ 1 semipolar heterostructures. This means that for some semipolar growth orientations of III-nitride heterostructures biaxial relaxation of misfit stress can be realized. The results of modeling are compared to experimental data on the onset of plastic relaxation in AlxGa1−xN/GaN heterostructures.

  8. Characteristics of blackberry and raspberry seeds and oils

    Directory of Open Access Journals (Sweden)

    Dimić Etelka B.

    2012-01-01

    Full Text Available This study is concerned with the determination of technological quality characteristics of dried pomaces, i.e. blackberry and raspberry seeds, along with the quality parameters, content of total carotenoids and chlorophyl and transparency of crude extracted oil (using organic solvent. Blackberry seeds (Rubus fruticosus L. were obtained from a domestic variety Čačanska bestrna, while the raspberry seeds (Rubus idaeus L. were of the variety Willamette. Oil content of the blackberry pomace was 13.97 and 14.34%, while the oil content of the raspberry pomace was 13.44 and 14.33% on dry basis (d.b.. In regard to technological characteristics of the pomaces, i.e. volumetric and specific weight, no considerably difference was found. However, a weight test for 1000 seeds showed a significant difference in weight: 3.5 g (d.b. for the blackberry pomace and 1.5 g for the raspberry pomace (d.b.. Proximate analysis of blackberry seed oil showed that this oil had better quality since the FFA value was 3.43% (sample B1 and 3.53% (sample B2, while the peroxide value was 8.89 and 11.16 mmol/kg, respectively. Raspberry seed oil had higher FFA (8.59 and 8.83% for sample R1 and R2 and peroxide values (13.99 and 13.84 for sample R1 and R2 than the blackberry seed oil. Crude extracted blackberry seed oil had a brown-greenish color due to the high total chlorophyll content (around 3000 mg/kg dissolved in cyclohexane. Raspberry seed oil had a dark yellowishorange color, due to lower chlorophyll content (around 200 mg/kg compared to the blackberry seed oil, while the content of total carotenoids was slightly higher in this oil (around 40 mg/kg compared to the blackberry seed oil (33 mg/kg. [Projekat Ministarstva nauke Republike Srbije, br. TR 31014: Development of the new functional confectionery products based on oil crops

  9. Modeling the structure and absorption spectra of stilbazolium merocyanine in polar and nonpolar solvents using hybrid QM/MM techniques.

    Science.gov (United States)

    Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Aidas, Kestutis; Ågren, Hans

    2010-10-28

    We have performed Car-Parrinello mixed quantum mechanics/molecular mechanics (CP-QM/MM) calculations for stilbazolium merocyanine (SM) in polar and nonpolar solvents in order to explore the role of solute molecular geometry, solvation shell structure, and different interaction mechanisms on the absorption spectra and its dependence on solvent polarity. On the basis of the average bond length values and group charge distributions, we find that the SM molecule remains in a neutral quinonoid form in chloroform (a nonpolar solvent) while it transforms to a charge-separated benzenoid form in water (a polar solvent). Based on a quantum mechanical/molecular mechanical response technique, with different MM descriptions for the water environment, absorption spectra were obtained as averages over configurations derived from the CP-QM/MM simulations. We show that for SM in water the solute polarization plays a major role in predictions of the λ(max) and solvatochromic shift and that once this effect is included the contributions from solvent polarization and intermolecular charge transfer become less important. For SM in chloroform and water solvents, we have also performed absorption spectra calculations using a polarizable continuum model in order to address its relative performance compared to the QM/MM response technique. In the case of SM in water, our study supports the notion that, in order to predict accurate absorption spectra and solvatochromic shifts, it is important to use a discrete description of the solvent when it, as in water, is involved in site-specific interaction with the solute molecule. The technique is thus shown to outperform the more conventional polarizable continuum model in predicting the solvatochromic shift.

  10. Vacuum-UV spectroscopy of interstellar ice analogs. II. Absorption cross-sections of nonpolar ice molecules

    Science.gov (United States)

    Cruz-Diaz, G. A.; Muñoz Caro, G. M.; Chen, Y.-J.; Yih, T.-S.

    2014-02-01

    Context. Dust grains in cold circumstellar regions and dark-cloud interiors at 10-20 K are covered by ice mantles. A nonthermal desorption mechanism is invoked to explain the presence of gas-phase molecules in these environments, such as the photodesorption induced by irradiation of ice due to secondary ultraviolet photons. To quantify the effects of ice photoprocessing, an estimate of the photon absorption in ice mantles is required. In a recent work, we reported the vacuum-ultraviolet (VUV) absorption cross sections of nonpolar molecules in the solid phase. Aims: The aim was to estimate the VUV-absorption cross sections of nonpolar molecular ice components, including CH4, CO2, N2, and O2. Methods: The column densities of the ice samples deposited at 8 K were measured in situ by infrared spectroscopy in transmittance. VUV spectra of the ice samples were collected in the 120-160 nm (10.33-7.74 eV) range using a commercial microwave-discharged hydrogen flow lamp. Results: We found that, as expected, solid N2 has the lowest VUV-absorption cross section, which about three orders of magnitude lower than that of other species such as O2, which is also homonuclear. Methane (CH4) ice presents a high absorption near Ly-α (121.6 nm) and does not absorb below 148 nm. Estimating the ice absorption cross sections is essential for models of ice photoprocessing and allows estimating the ice photodesorption rates as the number of photodesorbed molecules per absorbed photon in the ice. Data can be found at http://ghosst.osug.fr/

  11. Differences between Lipids Extracted from Five Species Are Not Sufficient To Explain Biomagnification of Nonpolar Organic Chemicals

    DEFF Research Database (Denmark)

    Jahnke, Annika; Holmbäck, Jan; Andersson, Rina Argelia

    2015-01-01

    headspace from spiked olive oil to determine their sorptive capacities. Lipids from seal blubber and pork bacon solely composed of triglycerides had capacities similar to that of olive oil; lipids from mussels, herring, and guillemot egg had quantifiable fractions of phospholipids and cholesterol and showed...... capacities reduced by factors of up to 2.3-fold. Generally, the sorptive capacities of the lipids were not elevated relative to the olive oil controls and are unlikely to explain a substantial part of biomagnification....

  12. Indium incorporation in semipolar (20 2 ̅ 1) and nonpolar (10 1 ̅ 0) InGaN grown by plasma assisted molecular beam epitaxy

    Science.gov (United States)

    Sawicka, M.; Feduniewicz-Żmuda, A.; Kryśko, M.; Turski, H.; Muziol, G.; Siekacz, M.; Wolny, P.; Skierbiszewski, C.

    2017-02-01

    Semipolar (20 2 ̅ 1) , nonpolar m-plane (10 1 ̅ 0) and polar c-plane (0001) GaN and InGaN layers were grown by plasma-assisted molecular beam epitaxy. The surface of semipolar and nonpolar GaN grown under Ga-rich conditions is very smooth. The indium incorporation efficiency in InGaN layers grown under In-rich growth conditions is studied on three surface orientations (i) as a function of temperature from 570 to 650 °C and (ii) for varied active nitrogen flux from 0.41 to 2.03 μm/h. The In content follows the relation (10 1 ̅ 0) experiments. Indium composition in InGaN layers can be increased (i) by the decrease of the growth temperature and (ii) increase of the applied nitrogen flux for all studied surface orientations. Additionally, surface morphology of semipolar, nonpolar and c-polar InGaN layers grown at 650, 640 and 620 °C is compared. No increase in surface roughness for semipolar and nonpolar InGaN was observed in contrast to c-plane counterparts.

  13. Non-polar In x Ga1-x N/GaN quantum dots: impact of dot size and shape anisotropies on excitonic and biexcitonic properties

    Science.gov (United States)

    Kanta Patra, Saroj; Schulz, Stefan

    2017-01-01

    In this work, we present a theoretical analysis of the built-in potential, the excitonic and biexcitonic properties of non-polar InGaN/GaN quantum dots by means of self-consistent Hartree calculations using \\mathbf{k}\\centerdot \\mathbf{p} theory. Special attention is paid to the impact of dot size and shape anisotropies on the results. Our calculations reveal that even though non-polar InGaN/GaN quantum dots exhibit strongly reduced built-in fields when compared to c-plane dots, the excitonic and biexcitonic properties are significantly affected by these residual fields. Furthermore, changes in the built-in field when the geometrical dot features are modified, result in an unusual variation of the exciton binding energy. All these findings highlight that the dot geometry significantly affects electronic and optical properties of non-polar InGaN/GaN systems. This is further supported by comparing our theoretical data with experimental literature results. Here, we analyze also trends in exciton and biexciton binding energies and discuss the potential use of non-polar InGaN/GaN dots for entangled photon emission via the time reordering scheme.

  14. Defensive Armor of Potato Tubers: Nonpolar Metabolite Profiling, Antioxidant Assessment, and Solid-State NMR Compositional Analysis of Suberin-Enriched Wound-Healing Tissues.

    Science.gov (United States)

    Dastmalchi, Keyvan; Kallash, Linda; Wang, Isabel; Phan, Van C; Huang, Wenlin; Serra, Olga; Stark, Ruth E

    2015-08-05

    The cultivation, storage, and distribution of potato tubers are compromised by mechanical damage and suboptimal healing. To investigate wound-healing progress in cultivars with contrasting russeting patterns, metabolite profiles reported previously for polar tissue extracts were complemented by GC/MS measurements for nonpolar extracts and quantitative (13)C NMR of interfacial solid suspensions. Potential marker compounds that distinguish cultivar type and wound-healing time point included fatty acids, fatty alcohols, alkanes, glyceryl esters, α,ω-fatty diacids, and hydroxyfatty acids. The abundant long-chain fatty acids in nonpolar extracts and solids from the smooth-skinned Yukon Gold cultivar suggested extensive suberin biopolymer formation; this hypothesis was supported by high proportions of arenes, alkenes, and carbonyl groups in the solid and among the polar markers. The absence of many potential marker classes in nonpolar Atlantic extracts and interfacial solids suggested a limited extent of suberization. Modest scavenging activities of all nonpolar extracts indicate that the majority of antioxidants produced in response to wounding are polar.

  15. 异丙醇-环己烷混合溶剂浸出菜籽饼溶剂的分离回收工艺研究%Separation and recovery of mixed solvents from rapeseed cake leached by isopropanol and cyclohexane

    Institute of Scientific and Technical Information of China (English)

    刘大良; 张韩芳; 魏冰; 杨帆; 孟橘

    2013-01-01

    On the basis of oil extraction from rapeseed cake by mixed solvents of isopropanol and cyclohexane, extraction conditions of rapeseed cake, removal of impurities (polysaccharide) from miscella, separation and recovery of mixed solvents and desolventizing of wet meal and miscella were studied. The optimal conditions were obtained as follows:moisture content of rapeseed cake less than 10% ,leaching temperature 62℃,ratio of liquid to solid 3:1,mixed solvents 95% isopropanol and cyclohexane(3:1) , washing temperature of miscella 60℃, dosage of hot water 0.8-1 times of 95% isopropanol,evaporation temperature of isopropanol water solution 100℃, mass fraction of potassium carbonate solution in salting -out extraction 50% , volume ratio of 50% potassium carbonate solution to 95% isopropanol 2:1 and evaporation temperature of potassium carbonate solution 59℃under vacuum of 0.095 MPa.%在异丙醇-环己烷混合溶剂浸出菜籽饼工艺研究的基础上,进一步对浸出菜籽饼的浸出条件、混合油中多糖类杂质的脱除、混合溶剂的分离回收、湿粕的脱溶、混合油的脱溶等进行研究.得出适宜的工艺条件为:菜籽饼水分含量小于10%,浸出温度62℃,液料比3∶1,浸出溶剂95%异丙醇-环己烷(3∶1);混合油水洗温度60℃,热水加入量0.8~1倍95%异丙醇;异丙醇水溶液蒸发温度100℃,盐效萃取中碳酸钾溶液的质量分数50%,50%碳酸钾溶液与95%异丙醇体积比2∶1;碳酸钾溶液的蒸发温度59℃,真空度0.095 MPa.

  16. Antidiabetic oils.

    Science.gov (United States)

    Berraaouan, Ali; Abid, Sanae; Bnouham, Mohamed

    2013-11-01

    Many studies have demonstrated evidence of the health benefits of natural products. Plant extracts have been tested on a variety of physiological disorders, including diabetes mellitus. Studies have tested aqueous extracts, plant fractions extracts, families of active of compounds, and specific active compounds. In this review, we describe the antidiabetic effects of vegetable oils. Information was collected from ScienceDirect and PubMed databases using the following key words: Diabetes mellitus, Oils, Vegetable oils, Type 1 diabetes, type 2 diabetes, antidiabetic effect, antihyperglycemic, antidiabetic oil. We have compiled approximately ten vegetable oils with including experimental studies that have demonstrated benefits on diabetes mellitus. There are soybean, argan, olive, palm, walnut, black cumin, safflower, Colocynth, Black seed, Rice bran, Cinnamom, and Rocket oils. For each vegetable oil, we investigated on the plant's traditional uses, their pharmacological activities and their antidiabetic effects. It seems that many vegetable oils are really interesting and can be used in the improvement of human health, particularly, to prevent or to treat diabetes mellitus complications.

  17. Coconut Oil

    Science.gov (United States)

    ... immune system. Despite coconut oil's high calorie and saturated fat content, some people use it by mouth to ... Coconut oil is high in a saturated fat called medium chain triglycerides. These fats work differently than other types of saturated fat in the body. However, research on the effects ...

  18. 金属卟啉催化氧化环己烷反应的研究进展%Kesearch Progress of Cyclohexane Oxidation Catalyzed by Metalloporphyrins

    Institute of Scientific and Technical Information of China (English)

    沈阳; 杨晓杰; 孙巍; 张莹; 谭伶玉; 唐丽华

    2011-01-01

    In order to select a excellent catalyst for biomimetic catalytic oxidation of cyclohexane, some literatures at home and abroad on metalporphyrin biomimetic catalytis oxidation of hydrocarbons is summarized in this paper. The focus is the types and varieties of metalloporphyrin compounds used in catalytic oxidation of cyclohexane. Among these metalloporphyrin catalysts, the and its derivatives metal complexes are researched most actively. The main metals complexed are the transition metals such as Fe, Mn, Co. The single metalporphyrins, dual-core metalporphyrins and immobilized metalporphyrins are the main types of metalloporphyrin biomimetic catalysts. The single metalporphyrin catalysts are studied more maturely, and the catalytic activity of the metalloporphyrin is higher than others which benzene ring is substituted by electron-withdrawing groups.%为了筛选仿生催化氧化环己烷反应的优异催化剂,查阅了国内外有关金属卟啉仿生催化氧化烃类的一些文献资料,重点归纳总结了用作仿生催化空气氧化环己烷反应的金属卟啉化合物的类型和种类。其中,研究最为活跃的是中位取代四苯基卟啉及其衍生物的金属配合物,络合的金属主要是过渡金属Fe、Mn、Co。金属卟啉仿酶催化剂品种中,主要有单金属卟啉、双核金属卟啉和固载金属睡卜啉等三种类型,其中研究较为成熟的是单金属卟啉催化剂,且苯环上取代吸电子基团的金属卟啉仿酶催化剂的催化活性较高。

  19. Oil Spills

    Science.gov (United States)

    ... Deepwater Horizon well blowout in the Gulf of Mexico. See a map showing the largest oil spills ... Hurricane Season Meet the New CAMEO Chemicals Mobile App Revised: Sep 25, 2017 10:35pm | Site Map | ...

  20. Can Nonpolar Polyisobutylenes be Measured by Electrospray Ionization Mass Spectrometry? Anion-Attachment Proved to be an Appropriate Method

    Science.gov (United States)

    Nagy, Lajos; Nagy, Tibor; Deák, György; Kuki, Ákos; Purgel, Mihály; Narmandakh, Mijid; Iván, Béla; Zsuga, Miklós; Kéki, Sándor

    2016-03-01

    Polyisobutylenes (PIBs) with different end-groups including chlorine, exo-olefin, hydroxyl, and methyl prepared from aliphatic and aromatic initiators were studied by electrospray ionization mass spectrometry (ESI-MS). Independently of the end-groups, presence or absence of aromatic initiator moiety, these PIB derivatives were capable of forming adduct ions with NO3 - and Cl- ions, thus allowing the direct characterization of these compounds in the negative ion mode of ESI-MS. To obtain [PIB + NO3]- and [PIB + Cl]- adduct ions with appreciable intensities, addition of polar solvents such as acetone, 2-propanol, or ethanol to the dichloromethane solution of PIBs was necessary. Furthermore, increasing both the polarity (by increasing the acetone content) and the ion-source temperature give rise to enhanced intensities for both [PIB + NO3]- and [PIB + Cl]- ions. Energy-dependent collision induced dissociation studies (CID) revealed that increasing the collision voltages resulted in the shift of the apparent molecular masses to higher ones. CID studies also showed that dissociation of the [PIB + Cl]- ions requires higher collision energy than that of [PIB + NO3]-. In addition, Density Functional Theory calculations were performed to gain insights into the nature of the interactions between the highly non-polar PIB chains and anions NO3 - and Cl- as well as to determine the zero-point corrected electronic energies for the formation of [PIB + NO3]- and [PIB + Cl]- adduct ions.

  1. Atomistic simulation studies on the dynamics and thermodynamics of nonpolar molecules within the zeolite imidazolate framework-8.

    Science.gov (United States)

    Pantatosaki, Evangelia; Pazzona, Federico G; Megariotis, Gregory; Papadopoulos, George K

    2010-02-25

    Statistical-mechanics-based simulation studies at the atomistic level of argon (Ar), methane (CH(4)), and hydrogen (H(2)) sorbed in the zeolite imidazolate framework-8 (ZIF-8) are reported. ZIF-8 is a product of a special kind of chemical process, recently termed as reticular synthesis, which has generated a class of materials of critical importance as molecular binders. In this work, we explore the mechanisms that govern the sorption thermodynamics and kinetics of nonpolar sorbates possessing different sizes and strength of interactions with the metal-organic framework to understand the outstanding properties of this novel class of sorbents, as revealed by experiments published elsewhere. For this purpose, we have developed an in-house modeling procedure involving calculations of sorption isotherms, partial internal energies, various probability density functions, and molecular dynamics for the simulation of the sorbed phase over a wide range of occupancies and temperatures within a digitally reconstructed unit cell of ZIF-8. The results showed that sorbates perceive a marked energetic inhomogeneity within the atomic framework of the metal-organic material under study, resulting in free energy barriers that give rise to inflections in the sorption isotherms and guide the dynamics of guest molecules.

  2. Non-polar Extraction Effect Analysis of Mimusops elengi (L. bark to Larvae of Aedes aegypti (L.

    Directory of Open Access Journals (Sweden)

    Mutiara Widawati

    2012-11-01

    Full Text Available Tanjung or Mimusops elengi is one of a tree that has many therapeutic effects and has been widely studied as an alternative drug like anti-inflammatory agent, diarrhea, and asthma. This study tested the larvicidal ability of Tanjung bark extract for larvae of Aedes aegypti. The solvent that will be used for Mimusops elengi stem extraction in this research is semi-polar and non-polar solvent, which is ethyl acetate and hexane. The method used in this research was reflux extraction and proceed further with fractionation that has been analyzed by thin layer chromatography. The larvicidal activity of Mimusops elengi extract was tested using a bioassay method that has been established by WHO to determine LC50 and LC9O which can be processed further in order to compare the ejjicacy ofsolvent used. The LC50 value of the extract 1,2 and 3, were each 59.36 ppm, 82.53 ppm, and 110.42 ppm. The experimental results showed that hexane has the most powerful larvicidal ability compared to other extracts.

  3. Relaxation phenomena of polar non-polar liquid mixtures under low and high frequency electric field

    Indian Academy of Sciences (India)

    K Dutta; S K Sit; S Acharyya

    2003-10-01

    Simultaneous calculation of the dipole moment and the relaxation time of a certain number of non-spherical rigid aliphatic polar liquid molecules () in non-polar solvents () under 9.8 GHz electric field is possible from real $'$ and imaginary $''$ parts of the complex relative permittivity $^{*}_{}$. The low frequency and infinite frequency permittivities 0 and ∞ measured by Purohit et al [1,2] and Srivastava and Srivastava [3] at 25, 35 and 30°C respectively are used to obtain static . The ratio of the individual slopes of imaginary and real $'$ parts of high frequency (hf) complex conductivity $^{*}_{}$ with weight fractions at → 0 and the slopes of $''_{}-'_{}$ curves for different s [4] are employed to obtain s. The former method is better in comparison to the existing one as it eliminates polar–polar interaction. The hf s in Coulomb metre (C m) when compared with static and reported s indicate that ss favour the monomer formations which combine to form dimers in the hf electric field. The comparison among s shows that a part of the molecule is rotating under X-band electric field [5]. The theoretical theos from available bond angles and bond moments of the substituent polar groups attached to the parent molecules differ from the measured s and s to establish the possible existence of mesomeric, inductive and electromeric effects in polar liquid molecules.

  4. Temperature dependence of the positronium yields in polar and nonpolar pure liquids; an experimental test of a phenomenological model

    Energy Technology Data Exchange (ETDEWEB)

    Levay, B

    2004-08-02

    A phenomenological model describing the temperature dependence of the positronium yields (I{sub Ps}, %) was tested in pure liquids of different polarity. The investigated solvents were: m-xylene (m-Xy) and iso-octane (i-C8) as aromatic and aliphatic nonpolar hydrocarbons, methanol (MeOH), water and dimethyl formamide as polar solvents with and without OH group. Arrhenius type linear relationship predicted by the model for the lnQ vs 1/T function, where Q=(100/I{sub Ps}-1), was found to be valid in all cases. The slopes of the lines correspond to the activation energy differences ({delta}E{sup *}=E{sub rec}-E{sub Ps}) between the two main competing reaction pathways in the positron spur, i.e., solvent recombination (e{sup -} + M{sup +}) and positronium formation (e{sup -} + e{sup +}). The slopes were positive, i.e., {delta}E{sup *}<0 and E{sub rec}

  5. Molecular Dynamics Simulations on Parallel Computers: a Study of Polar Versus Nonpolar Media Effects in Small Molecule Solvation.

    Science.gov (United States)

    Debolt, Stephen Edward

    Solvent effects were studied and described via molecular dynamics (MD) and free energy perturbation (FEP) simulations using the molecular mechanics program AMBER. The following specific topics were explored:. Polar solvents cause a blue shift of the rm nto pi^* transition band of simple alkyl carbonyl compounds. The ground- versus excited-state solvation effects responsible for the observed solvatochromism are described in terms of the molecular level details of solute-solvent interactions in several modeled solvents spanning the range from polar to nonpolar, including water, methanol, and carbon tetrachloride. The structure and dynamics of octanol media were studied to explore the question: "why is octanol/water media such a good biophase analog?". The formation of linear and cyclic polymers of hydrogen-bonded solvent molecules, micelle-like clusters, and the effects of saturating waters are described. Two small drug-sized molecules, benzene and phenol, were solvated in water-saturated octanol. The solute-solvent structure and dynamics were analysed. The difference in their partitioning free energies was calculated. MD and FEP calculations were adapted for parallel computation, increasing their "speed" or the time span accessible by a simulation. The non-cyclic polyether ionophore salinomycin was studied in methanol solvent via parallel FEP. The path of binding and release for a potassium ion was investigated by calculating the potential of mean force along the "exit vector".

  6. Short-wavelength, mid- and far-infrared intersubband absorption in nonpolar GaN/Al(Ga)N heterostructures

    Science.gov (United States)

    Lim, Caroline B.; Beeler, Mark; Ajay, Akhil; Lähnemann, Jonas; Bellet-Amalric, Edith; Bougerol, Catherine; Schörmann, Jörg; Eickhoff, Martin; Monroy, Eva

    2016-05-01

    This paper assesses nonpolar m-oriented GaN:Si/Al(Ga)N heterostructures grown on free-standing GaN for intersubband optoelectronics in the short-wavelength, mid- and far-infrared ranges. Characterization results are compared with reference c-plane samples and interpreted by correlation with self-consistent Schrödinger-Poisson calculations. In the near- and mid-infrared regions, we demonstrate m-GaN/Al(Ga)N multi-quantum-wells exhibiting room-temperature intersubband absorption tunable in the range of 1.5-5.8 µm (827-214 meV), the long wavelength limit being set by the second order of the Reststrahlen band in the GaN substrates. Extending the study to the far-infrared region, low-temperature intersubband transitions in the 1.5-9 THz range (6.3-37.4 meV) are observed in larger m-plane GaN/AlGaN multi-quantum-wells, covering most of the 7-10 THz band forbidden to GaAs-based technologies.

  7. Dielectric behaviour of some amides and formamides dissolved in nonpolar solvents under static electric field

    Indian Academy of Sciences (India)

    S Sahoo; S K Sit

    2011-08-01

    Structural and associational aspects of polar amides () like formamide, acetamide, Nmethyl acetamide (NMA), N,N-dimethyl formamide (DMF), N,N-dimethyl acetamide (DMA) and acetanilide dissolved in the nonpolar solvent () benzene or 1,4-dioxan have been estimated from the measured static relative permittivity 0 and high-frequency permittivity ∞ at different weight fractions s of polar solute at 35°C under static electric field using Debye model of polar liquid molecule. The static dipole moments s are compared with s reported from conductivity method and theoretical theos to get exact cal $\\cdot$ theos of the molecules are predicted from the available bond angles and bond moments where difference in electron affinity exists between two adjacent atoms of a polar group due to inductive, mesomeric and electromeric effects in them. Solute–solute molecular association for NMA in benzene and solute–solvent association for other amides are ascertained to arrive at their conformational structures.

  8. Photo-Stimulated Electron Detrapping and the Two-State Model for Electron Transport in Nonpolar Liquids

    CERN Document Server

    Shkrob, I A

    2004-01-01

    In common nonpolar liquids, such as saturated hydrocarbons, a dynamic equilibrium between trapped (localized) and quasifree (extended) states has been postulated for the excess electron (the two-state model). Using time-resolved dc conductivity, the effect of 1064 nm laser photoexcitation of trapped electrons on the charge transport has been observed in liquid n-hexane and methylcyclohexane. The light promotes the electron from the trap into the conduction band of the liquid, instantaneously increasing the conductivity by orders of magnitude. From the analysis of the two-pulse, two-color photoconductivity data, the residence time of the electrons in traps has been estimated as ca. 8.4 ps for n-hexane and ca. 13 ps for methylcyclohexane (at 295 K). The rate of detrapping decreases at lower temperature with an activation energy of ca. 200 meV (280-320 K); the lifetime-mobility product for quasifree electrons scales linearly with the temperature. We suggest that the properties of trapped electrons in hydrocarbon...

  9. Organic materials irradiated at very low temperature and at different stopping powers: examples of polyethylene and of cyclohexane molecules trapped in matrix; Materiaux organiques irradies a tres basse temperature et a differents pouvoirs d'arret: cas du polyethylene et des molecules de cyclohexane isolees en matrice

    Energy Technology Data Exchange (ETDEWEB)

    Melot, M

    2003-10-15

    This thesis concerns the formation mechanisms of defects created in organic materials during irradiation under vacuum, at very low temperature and at different electronic stopping powers. Analysis have been realised by infrared spectroscopy. The first part concerns polyethylene. Irradiating at 8 K allows to dissociate the direct irradiation effects (in cage reactions) and the radical recombination effects. According to the considered chemical groups, the radical mobility leads to very different changes for the formation radiochemical yields. The second part concerns the irradiation of cyclohexane molecules trapped in a solid argon matrix. We evaluate the contribution of intermolecular and intramolecular reactions. The intermolecular reactions have limited consequences when using low ionising radiations but are crucial for heavy ion irradiations. (author)

  10. Poly[[μ-1,4-bis(imidazol-1-ylmethylbenzene]bis(μ4-cyclohexane-1,4-dicarboxylatodinickel(II

    Directory of Open Access Journals (Sweden)

    Bing-Bing Li

    2009-08-01

    Full Text Available The structure of the polymeric title compound, [Ni2(C8H10O42(C14H14N4]n, features a five-coordinate NiII centre defined by four carboxylate O atoms from two different cyclohexane-1,4-dicarboxylate (chdc ligands and an N atom from one end of a 1,4-bis(imidazol-1-ylmethylbenzene (1,4-bix molecule. The NO4 coordination geometry is distorted square-pyramidal with the N atom in the apical position. Each end of the chdc ligand links pairs of NiII atoms into a paddle-wheel assembly, i.e. Ni2(O2CR′4. These are connected into rows owing to the bridging nature of the chdc ligands, and the rows are connected into a two-dimensional grid via the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions of equal occupancy were discerned for the –H2C(C6H4CH2– residue.

  11. Poly[[μ2-1,4-bis(imidazol-1-ylmethylbenzene]bis(μ4-cyclohexane-1,4-dicarboxylatodicobalt(II

    Directory of Open Access Journals (Sweden)

    Qun-Di Yu

    2009-10-01

    Full Text Available In the title compound, [Co2(C8H10O42(C14H14N4]n, the two CoII atoms are both five-coordinated by four carboxylate O atoms, derived from two different cyclohexane-1,4-dicarboxylate (chdc ligands, and an N atom, derived from one end of a 1,4-bis(imidazol-1-ylmethylbenzene molecule (1,4-bix, in a distorted square-pyramidal environment. Each end of the chdc ligand links pairs of CoII atoms into a paddle-wheel assembly, i.e. Co2(O2CR′4; these are connected into rows because of the bridging nature of the chdc ligands, and the rows are further connected into a two-dimensional layer through the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions were discerned for the –CH2(C6H4CH2– residue, with the major component having a site-occupancy factor of 0.512 (9.

  12. Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields

    Science.gov (United States)

    Kamath, Ganesh; Kurnikov, Igor; Fain, Boris; Leontyev, Igor; Illarionov, Alexey; Butin, Oleg; Olevanov, Michael; Pereyaslavets, Leonid

    2016-11-01

    We present the performance of blind predictions of water—cyclohexane distribution coefficients for 53 drug-like compounds in the SAMPL5 challenge by three methods currently in use within our group. Two of them utilize QMPFF3 and ARROW, polarizable force-fields of varying complexity, and the third uses the General Amber Force-Field (GAFF). The polarizable FF's are implemented in an in-house MD package, Arbalest. We find that when we had time to parametrize the functional groups with care (batch 0), the polarizable force-fields outperformed the non-polarizable one. Conversely, on the full set of 53 compounds, GAFF performed better than both QMPFF3 and ARROW. We also describe the torsion-restrain method we used to improve sampling of molecular conformational space and thus the overall accuracy of prediction. The SAMPL5 challenge highlighted several drawbacks of our force-fields, such as our significant systematic over-estimation of hydrophobic interactions, specifically for alkanes and aromatic rings.

  13. Chitosan-mediated synthesis of mesoporous α-Fe2O3 nanoparticles and their applications in catalyzing selective oxidation of cyclohexane

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    This paper reports the chitosan-mediated synthesis of porous hematite nanoparticles with FeCl3 as the precursor via a hydrothermal approach at 160℃.A series of porous chitosan/iron oxide hybrid nanoparticles were obtained via changing the ratio of chitosan to FeCl3,FeCl3 concentration and pH value of the reaction solution,and producing porous iron oxide nanoparticles after calcination.The as-prepared samples were characterized by means of X-ray diffraction,transmission electron microscopy,thermal gravimetric analysis,Fourier transform infrared,and N2 sorption.The particle sizes of these metal oxides were less than 100 nm,and the pore sizes were in the range of 2-16 nm.It was demonstrated that chitosan played a key role in the formation of the porous structures.The resultant α-Fe2O3 nanoparticles were used as the support to immobilize Au or Pd nanoparticles,producing Au/α-Fe2O3 or Pd/α-Fe2O3 nanoparticles.The as-prepared α-Fe2O3 nanocatalyst exhibited high selectivity towards cyclohexanone and cyclohexanol for catalyzing cyclohexane oxidation with O2 at 150℃.

  14. Synthesis, Structure and Luminescent Property of a Zinc(Ⅱ) Coordination Polymer Incorporating Flexible Cyclohexane- 1,2,3,4,5,6-hexacarboxylate Ligand

    Institute of Scientific and Technical Information of China (English)

    WANG Jing; LIU Zhao-qing; SU Ting-ting

    2011-01-01

    The hydrothermal reaction of Zn(NO3)2.4H20, cyclohexane-l,2,3,4,5,6-hexacarboxylic acid hydrate (H6LLH20, cis-conformation L1: a,e,a,e,a,e) and 2,21-bpy yielded a new coordination polymer [Zn2(H2L11)(2,21-bpy)]·2H20(trans-conformation L11: e,e,e,e,e,e), which was characterized by single-crystal X-ray diffraction, elemental analysis, IR and XRPD(X-ray powder diffraction). This complex crystallized in the triclinic system, with P1 space group and parameters a=0.66922(5) nm, b=0.97291(8) nm, c=1.22184(9) nm, a=99.0020(10)°, β=99.1300(10)°,γ=99.1910(10)°, V= 0.76176(10) nm3 and Z=2. The structure is a three-dimensional supramolecular network based on linear coordination chains through π-π stacking and hydrogen bonding interactions. The confromation of the starting ligand H6L1 transfromed to the H2LII. The complex emits strong luminescence at room temperature.

  15. Enhanced Reactivity in Hydrogen Atom Transfer from Tertiary Sites of Cyclohexanes and Decalins via Strain Release: Equatorial C-H Activation vs Axial C-H Deactivation.

    Science.gov (United States)

    Salamone, Michela; Ortega, Vanesa B; Bietti, Massimo

    2015-05-01

    Absolute rate constants for hydrogen atom transfer (HAT) from cycloalkanes and decalins to the cumyloxyl radical (CumO(•)) were measured by laser flash photolysis. Very similar reactivities were observed for the C-H bonds of cyclopentane and cyclohexane, while the tertiary C-H bond of methylcyclopentane was found to be 6 times more reactive than the tertiary axial C-H bond of methylcyclohexane, pointing toward a certain extent of tertiary axial C-H bond deactivation. Comparison between the cis and trans isomers of 1,2-dimethylcyclohexane, 1,4-dimethylcyclohexane and decalin provides a quantitative evaluation of the role played by strain release in these reactions. kH values for HAT from tertiary equatorial C-H bonds were found to be at least 1 order of magnitude higher than those for HAT from the corresponding tertiary axial C-H bonds (kH(eq)/kH(ax) = 10-14). The higher reactivity of tertiary equatorial C-H bonds was explained in terms of 1,3-diaxial strain release in the HAT transition state. Increase in torsional strain in the HAT transition state accounts instead for tertiary axial C-H bond deactivation. The results are compared with those obtained for the corresponding C-H functionalization reactions by dioxiranes and nonheme metal-oxo species indicating that CumO(•) can represent a convenient model for the reactivity patterns of these oxidants.

  16. Small-angle X-ray scattering study of self-assembling lipophilic guanines in organic solvents: G-quadruplex formation and cation effects in cyclohexane.

    Science.gov (United States)

    Gonnelli, A; Ortore, M G; Baldassarri, E J; Spada, G P; Pieraccini, S; Perone, R C; Funari, S S; Mariani, P

    2013-01-31

    Lipophilic guanilic derivatives (lipoGs) dissolved in organic solvents can undergo different self-assembly pathways based on different H-bonded motifs, e.g., the cyclic discrete G-quartet, which forms in the presence of alkali-metal ions, and the "infinite" tape-like G-ribbon observed in the absence of ions. Using in-solution small-angle X-ray scattering, we analyzed a series of lipoGs dissolved in cyclohexane in the presence of different salts. The formation of G-quartet based supramolecular aggregates has been confirmed, evidencing the coexistence equilibrium of octamers and noncovalent molecular nanowires (the so-called G-quadruplexes). By global fitting the scattering data, the concentration of the two kinds of particles as well as the nanowire length have been derived as a function of temperature for the different compounds and salts. The thermodynamic parameters show that the self-assembly aggregation process is enthalpy driven, while the observed enthalpy-entropy compensation suggests that similar stacking interactions control the self-assembly of the different compounds. However, the strength of the stacking interactions, and then the nanowire stability, depends on the nature of templating cations and on their capacity to fill the central cavity of quadruplexes, with the order Sr(+) < Na(+) ≲ K(+).

  17. Observation of mid-infrared intersubband absorption in non-polar m-plane AlGaN/GaN multiple quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Kotani, Teruhisa, E-mail: kotani.teruhisa@sharp.co.jp [Institute for Nano Quantum Information Electronics, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Institute of Industrial Science, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Life and Environment Laboratories, Sharp Corporation, 2613-1 Ichinomoto-cho, Tenri, Nara 632-8567 (Japan); Arita, Munetaka [Institute for Nano Quantum Information Electronics, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Arakawa, Yasuhiko [Institute for Nano Quantum Information Electronics, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Institute of Industrial Science, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8505 (Japan)

    2014-12-29

    Mid-infrared (4.20–4.84 μm) intersubband absorption in non-polar m-plane Al{sub 0.5}Ga{sub 0.5}N/GaN multiple-quantum wells is observed at room temperature. 10 period Al{sub 0.5}Ga{sub 0.5}N/GaN multiple-quantum wells were grown on free-standing m-plane GaN substrates by metalorganic chemical vapor deposition (MOCVD), and the high-quality structural and optical properties are revealed by x-ray diffraction and photoluminescence studies. Through this we have demonstrated that MOCVD grown non-polar m-plane AlGaN/GaN quantum wells are a promising material for mid-infrared intersubband devices.

  18. Use of liquid hydrocarbon and amide transfer data to estimate contributions to thermodynamic functions of protein folding from the removal of nonpolar and polar surface from water.

    Science.gov (United States)

    Spolar, R S; Livingstone, J R; Record, M T

    1992-04-28

    This extension of the liquid hydrocarbon model seeks to quantify the thermodynamic contributions to protein stability from the removal of nonpolar and polar surface from water. Thermodynamic data for the transfer of hydrocarbons and organic amides from water to the pure liquid phase are analyzed to obtain contributions to the thermodynamics of folding from the reduction in water-accessible surface area. Although the removal of nonpolar surface makes the dominant contribution to the standard heat capacity change of folding (delta C0fold), here we show that inclusion of the contribution from removal of polar surface allows a quantitative prediction of delta C0fold within the uncertainty of the calorimetrically determined value. Moreover, analysis of the contribution of polar surface area to the enthalpy of transfer of liquid amides provides a means of estimating the contributions from changes in nonpolar and polar surface area as well as other factors to the enthalpy of folding (delta H0fold). In addition to estimates of delta H0fold, this extension of the liquid hydrocarbon model provides a thermodynamic explanation for the observation [Privalov, P. L., & Khechinashvili, N. N. (1974) J. Mol. Biol. 86, 665-684] that the specific enthalpy of folding (cal g-1) of a number of globular proteins converges to a common value at approximately 383 K. Because amounts of nonpolar and polar surface area buried by these proteins upon folding are found to be linear functions of molar mass, estimates of both delta C0fold and delta H0fold may be obtained given only the molar mass of the protein of interest.(ABSTRACT TRUNCATED AT 250 WORDS)

  19. Characterization of nonpolar lipids and steroids by using laser-induced acoustic desorption/chemical ionization, atmospheric pressure chemical ionization, and electrospray ionization mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Z; Daiya, S; Kenttämaa, Hilkka I

    Laser-induced acoustic desorption (LIAD) combined with ClMn(H{sub 2}O){sup +} chemical ionization (CI) was tested for the analysis of nonpolar lipids and selected steroids in a Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR). The nonpolar lipids studied, cholesterol, 5α-cholestane, cholesta-3,5-diene, squalene, and β-carotene, were found to solely form the desired water replacement product (adduct-H{sub 2}O) upon reaction with the ClMn(H{sub 2}O){sup +} ions. The steroids, androsterone, dehydroepiandrosterone (DHEA), estrone, estradiol, and estriol, also form abundant adduct-H{sub 2}O ions, but less abundant adduct-2H{sub 2}O ions were also observed. Neither (+)APCI nor (+)ESI can ionize the saturated hydrocarbon lipid, cholestane. APCI successfully ionizes the unsaturated hydrocarbon lipids to form exclusively the intact protonated analytes. However, it causes extensive fragmentation for cholesterol and the steroids. The worst case is cholesterol that does not produce any stable protonated molecules. On the other hand, ESI cannot ionize any of the hydrocarbon analytes, saturated or unsaturated. However, ESI can be used to protonate the oxygen-containing analytes with substantially less fragmentation than for APCI in all cases except for cholesterol and estrone. In conclusion, LIAD/ClMn(H{sub 2}O){sup +} chemical ionization is superior over APCI and ESI for the mass spectrometric characterization of underivatized nonpolar lipids and steroids.

  20. Volatile-organic molecular characterization of shale-oil produced water from the Permian Basin

    Science.gov (United States)

    Khan, Naima A.; Engle, Mark A.; Dungan, Barry; Holguin, F. Omar; Xu, Pei; Carroll, Kenneth C.

    2016-01-01

    Growth in unconventional oil and gas has spurred concerns on environmental impact and interest in beneficial uses of produced water (PW), especially in arid regions such as the Permian Basin, the largest U.S. tight-oil producer. To evaluate environmental impact, treatment, and reuse potential, there is a need to characterize the compositional variability of PW. Although hydraulic fracturing has caused a significant increase in shale-oil production, there are no high-resolution organic composition data for the shale-oil PW from the Permian Basin or other shale-oil plays (Eagle Ford, Bakken, etc.). PW was collected from shale-oil wells in the Midland sub-basin of the Permian Basin. Molecular characterization was conducted using high-resolution solid phase micro extraction gas chromatography time-of-flight mass spectrometry. Approximately 1400 compounds were identified, and 327 compounds had a >70% library match. PW contained alkane, cyclohexane, cyclopentane, BTEX (benzene, toluene, ethylbenzene, and xylene), alkyl benzenes, propyl-benzene, and naphthalene. PW also contained heteroatomic compounds containing nitrogen, oxygen, and sulfur. 3D van Krevelen and double bond equivalence versus carbon number analyses were used to evaluate molecular variability. Source composition, as well as solubility, controlled the distribution of volatile compounds found in shale-oil PW. The salinity also increased with depth, ranging from 105 to 162 g/L total dissolved solids. These data fill a gap for shale-oil PW composition, the associated petroleomics plots provide a fingerprinting framework, and the results for the Permian shale-oil PW suggest that partial treatment of suspended solids and organics would support some beneficial uses such as onsite reuse and bio-energy production.

  1. Volatile-organic molecular characterization of shale-oil produced water from the Permian Basin.

    Science.gov (United States)

    Khan, Naima A; Engle, Mark; Dungan, Barry; Holguin, F Omar; Xu, Pei; Carroll, Kenneth C

    2016-04-01

    Growth in unconventional oil and gas has spurred concerns on environmental impact and interest in beneficial uses of produced water (PW), especially in arid regions such as the Permian Basin, the largest U.S. tight-oil producer. To evaluate environmental impact, treatment, and reuse potential, there is a need to characterize the compositional variability of PW. Although hydraulic fracturing has caused a significant increase in shale-oil production, there are no high-resolution organic composition data for the shale-oil PW from the Permian Basin or other shale-oil plays (Eagle Ford, Bakken, etc.). PW was collected from shale-oil wells in the Midland sub-basin of the Permian Basin. Molecular characterization was conducted using high-resolution solid phase micro extraction gas chromatography time-of-flight mass spectrometry. Approximately 1400 compounds were identified, and 327 compounds had a >70% library match. PW contained alkane, cyclohexane, cyclopentane, BTEX (benzene, toluene, ethylbenzene, and xylene), alkyl benzenes, propyl-benzene, and naphthalene. PW also contained heteroatomic compounds containing nitrogen, oxygen, and sulfur. 3D van Krevelen and double bond equivalence versus carbon number analyses were used to evaluate molecular variability. Source composition, as well as solubility, controlled the distribution of volatile compounds found in shale-oil PW. The salinity also increased with depth, ranging from 105 to 162 g/L total dissolved solids. These data fill a gap for shale-oil PW composition, the associated petroleomics plots provide a fingerprinting framework, and the results for the Permian shale-oil PW suggest that partial treatment of suspended solids and organics would support some beneficial uses such as onsite reuse and bio-energy production.

  2. Myristica oil poisoning

    Science.gov (United States)

    Nutmeg oil; Myristicin ... Myristica oil ( Myristica fragrans ) can be harmful. It comes from the seed of a nutmeg. ... Myristica oil is found in: Aromatherapy products Mace Nutmeg Other products may also contain myristica oil.

  3. All About Oils

    Science.gov (United States)

    ... in monounsaturated or polyunsaturated fats, and low in saturated fats. Oils from plant sources (vegetable and nut oils) ... oil, and palm kernel oil, are high in saturated fats and for nutritional purposes should be considered to ...

  4. Nonpolar III-nitride vertical-cavity surface-emitting laser with a photoelectrochemically etched air-gap aperture

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, J. T., E-mail: jtleona01@gmail.com; Yonkee, B. P.; Cohen, D. A.; Megalini, L.; Speck, J. S. [Materials Department, University of California, Santa Barbara, California 93106 (United States); Lee, S. [Department of Electrical and Computer Engineering, University of California, Santa Barbara, California 93106 (United States); DenBaars, S. P.; Nakamura, S. [Materials Department, University of California, Santa Barbara, California 93106 (United States); Department of Electrical and Computer Engineering, University of California, Santa Barbara, California 93106 (United States)

    2016-01-18

    We demonstrate a III-nitride nonpolar vertical-cavity surface-emitting laser (VCSEL) with a photoelectrochemically (PEC) etched aperture. The PEC lateral undercut etch is used to selectively remove the multi-quantum well (MQW) region outside the aperture area, defined by an opaque metal mask. This PEC aperture (PECA) creates an air-gap in the passive area of the device, allowing one to achieve efficient electrical confinement within the aperture, while simultaneously achieving a large index contrast between core of the device (the MQW within the aperture) and the lateral cladding of the device (the air-gap formed by the PEC etch), leading to strong lateral confinement. Scanning electron microscopy and focused ion-beam analysis is used to investigate the precision of the PEC etch technique in defining the aperture. The fabricated single mode PECA VCSEL shows a threshold current density of ∼22 kA/cm{sup 2} (25 mA), with a peak output power of ∼180 μW, at an emission wavelength of 417 nm. The near-field emission profile shows a clearly defined single linearly polarized (LP) mode profile (LP{sub 12,1}), which is in contrast to the filamentary lasing that is often observed in III-nitride VCSELs. 2D mode profile simulations, carried out using COMSOL, give insight into the different mode profiles that one would expect to be displayed in such a device. The experimentally observed single mode operation is proposed to be predominantly a result of poor current spreading in the device. This non-uniform current spreading results in a higher injected current at the periphery of the aperture, which favors LP modes with high intensities near the edge of the aperture.

  5. Nonpolar III-nitride vertical-cavity surface-emitting laser with a photoelectrochemically etched air-gap aperture

    Science.gov (United States)

    Leonard, J. T.; Yonkee, B. P.; Cohen, D. A.; Megalini, L.; Lee, S.; Speck, J. S.; DenBaars, S. P.; Nakamura, S.

    2016-01-01

    We demonstrate a III-nitride nonpolar vertical-cavity surface-emitting laser (VCSEL) with a photoelectrochemically (PEC) etched aperture. The PEC lateral undercut etch is used to selectively remove the multi-quantum well (MQW) region outside the aperture area, defined by an opaque metal mask. This PEC aperture (PECA) creates an air-gap in the passive area of the device, allowing one to achieve efficient electrical confinement within the aperture, while simultaneously achieving a large index contrast between core of the device (the MQW within the aperture) and the lateral cladding of the device (the air-gap formed by the PEC etch), leading to strong lateral confinement. Scanning electron microscopy and focused ion-beam analysis is used to investigate the precision of the PEC etch technique in defining the aperture. The fabricated single mode PECA VCSEL shows a threshold current density of ˜22 kA/cm2 (25 mA), with a peak output power of ˜180 μW, at an emission wavelength of 417 nm. The near-field emission profile shows a clearly defined single linearly polarized (LP) mode profile (LP12,1), which is in contrast to the filamentary lasing that is often observed in III-nitride VCSELs. 2D mode profile simulations, carried out using COMSOL, give insight into the different mode profiles that one would expect to be displayed in such a device. The experimentally observed single mode operation is proposed to be predominantly a result of poor current spreading in the device. This non-uniform current spreading results in a higher injected current at the periphery of the aperture, which favors LP modes with high intensities near the edge of the aperture.

  6. Comparison of nonpolar III-nitride vertical-cavity surface-emitting lasers with tunnel junction and ITO intracavity contacts

    Science.gov (United States)

    Leonard, J. T.; Young, E. C.; Yonkee, B. P.; Cohen, D. A.; Shen, C.; Margalith, T.; Ng, T. K.; DenBaars, S. P.; Ooi, B. S.; Speck, J. S.; Nakamura, S.

    2016-02-01

    We report on the lasing of III-nitride nonpolar, violet, vertical-cavity surface-emitting lasers (VCSELs) with IIInitride tunnel-junction (TJ) intracavity contacts and ion implanted apertures (IIAs). The TJ VCSELs are compared to similar VCSELs with tin-doped indium oxide (ITO) intracavity contacts. Prior to analyzing device results, we consider the relative advantages of III-nitride TJs for blue and green emitting VCSELs. The TJs are shown to be most advantageous for violet and UV VCSELs, operating near or above the absorption edge for ITO, as they significantly reduce the total internal loss in the cavity. However, for longer wavelength III-nitride VCSELs, TJs primarily offer the advantage of improved cavity design flexibility, allowing one to make the p-side thicker using a thick n-type III-nitride TJ intracavity contact. This offers improved lateral current spreading and lower loss, compare to using ITO and p-GaN, respectively. These aspects are particularly important for achieving high-power CW VCSELs, making TJs the ideal intracavity contact for any III-nitride VCSEL. A brief overview of III-nitride TJ growth methods is also given, highlighting the molecular-beam epitaxy (MBE) technique used here. Following this overview, we compare 12 μm aperture diameter, violet emitting, TJ and ITO VCSEL experimental results, which demonstrate the significant improvement in differential efficiency and peak power resulting from the reduced loss in the TJ design. Specifically, the TJ VCSEL shows a peak power of ~550 μW with a threshold current density of ~3.5 kA/cm2, while the ITO VCSELs show peak powers of ~80 μW and threshold current densities of ~7 kA/cm2.

  7. Non-polar organic compounds in marine aerosols over the northern South China Sea: Influence of continental outflow.

    Science.gov (United States)

    Zhao, Yan; Zhang, Yingyi; Fu, Pingqing; Ho, Steven Sai Hang; Ho, Kin Fai; Liu, Fobang; Zou, Shichun; Wang, Shan; Lai, Senchao

    2016-06-01

    Filter samples of total suspended particle (TSP) collected during a cruise campaign over the northern South China Sea (SCS) from September to October 2013 were analyzed for non-polar organic compounds (NPOCs) as well as organic carbon (OC), elemental carbon (EC) and water-soluble ions. A total of 115 NPOCs species in groups of n-alkanes, polycyclic aromatic hydrocarbons (PAHs), iso-/antiso-alkanes, hopanes, steranes, methylalkanes, branched alkanes, cycloalkanes, alkenes and phthalates were detected. The characteristics of NPOCs in marine TSP samples were investigated to understand the sources from the Asian continent and other regions. The concentrations of total NPOCs ranged from 19.8 to 288.2 ng/m(3) with an average of 87.9 ng/m(3), which accounted for 0.8-1.7% (average 1.0%) of organic matter (OM). n-Alkanes was the predominant group, accounting for 43.1-79.5%, followed by PAHs (5.5-44.4%) and hopanes (1.6-11.4%). We found that primary combustion (biomass burning/fossil fuel combustion) was the dominant source for the majority of NPOCs (89.1%). Biomass burning in southern/southeastern China via long-range transport was proposed to be a major contributor of NPOCs in marine aerosols over the northern SCS, suggested by the significant correlations between nss-K(+) and NPOCs groups as well as the analysis of air mass back-trajectory and fire spots. For the samples with strong continental influence, the strong enhancement in concentrations of n-alkanes, PAHs, hopanes and steranes were attributed to fossil fuel (coal/petroleum) combustion. In addition, terrestrial plants waxes were another contributor to NPOCs.

  8. Comparison of nonpolar III-nitride vertical-cavity surface-emitting lasers with tunnel junction and ITO intracavity contacts

    KAUST Repository

    Leonard, J. T.

    2016-03-01

    We report on the lasing of III-nitride nonpolar, violet, vertical-cavity surface-emitting lasers (VCSELs) with III-nitride tunnel-junction (TJ) intracavity contacts and ion implanted apertures (IIAs). The TJ VCSELs are compared to similar VCSELs with tin-doped indium oxide (ITO) intracavity contacts. Prior to analyzing device results, we consider the relative advantages of III-nitride TJs for blue and green emitting VCSELs. The TJs are shown to be most advantageous for violet and UV VCSELs, operating near or above the absorption edge for ITO, as they significantly reduce the total internal loss in the cavity. However, for longer wavelength III-nitride VCSELs, TJs primarily offer the advantage of improved cavity design flexibility, allowing one to make the p-side thicker using a thick n-type III-nitride TJ intracavity contact. This offers improved lateral current spreading and lower loss, compare to using ITO and p-GaN, respectively. These aspects are particularly important for achieving high-power CW VCSELs, making TJs the ideal intracavity contact for any III-nitride VCSEL. A brief overview of III-nitride TJ growth methods is also given, highlighting the molecular-beam epitaxy (MBE) technique used here. Following this overview, we compare 12 mu m aperture diameter, violet emitting, TJ and ITO VCSEL experimental results, which demonstrate the significant improvement in differential efficiency and peak power resulting from the reduced loss in the TJ design. Specifically, the TJ VCSEL shows a peak power of similar to 550 mu W with a threshold current density of similar to 3.5 kA/cm(2), while the ITO VCSELs show peak powers of similar to 80 mu W and threshold current densities of similar to 7 kA/cm

  9. Green solvents and technologies for oil extraction from oilseeds.

    Science.gov (United States)

    Kumar, S P Jeevan; Prasad, S Rajendra; Banerjee, Rintu; Agarwal, Dinesh K; Kulkarni, Kalyani S; Ramesh, K V

    2017-01-01

    Oilseeds are crucial for the nutritional security of the global population. The conventional technology used for oil extraction from oilseeds is by solvent extraction. In solvent extraction, n-hexane is used as a solvent for its attributes such as simple recovery, non-polar nature, low latent heat of vaporization (330 kJ/kg) and high selectivity to solvents. However, usage of hexane as a solvent has lead to several repercussions such as air pollution, toxicity and harmfulness that prompted to look for alternative options. To circumvent the problem, green solvents could be a promising approach to replace solvent extraction. In this review, green solvents and technology like aqueous assisted enzyme extraction are better solution for oil extraction from oilseeds. Enzyme mediated extraction is eco-friendly, can obtain higher yields, cost-effective and aids in obtaining co-products without any damage. Enzyme technology has great potential for oil extraction in oilseed industry. Similarly, green solvents such as terpenes and ionic liquids have tremendous solvent properties that enable to extract the oil in eco-friendly manner. These green solvents and technologies are considered green owing to the attributes of energy reduction, eco-friendliness, non-toxicity and non-harmfulness. Hence, the review is mainly focussed on the prospects and challenges of green solvents and technology as the best option to replace the conventional methods without compromising the quality of the extracted products.

  10. Vegetable Oils as Alternative Solvents for Green Oleo-Extraction, Purification and Formulation of Food and Natural Products.

    Science.gov (United States)

    Yara-Varón, Edinson; Li, Ying; Balcells, Mercè; Canela-Garayoa, Ramon; Fabiano-Tixier, Anne-Sylvie; Chemat, Farid

    2017-09-05

    Since solvents of petroleum origin are now strictly regulated worldwide, there is a growing demand for using greener, bio-based and renewable solvents for extraction, purification and formulation of natural and food products. The ideal alternative solvents are non-volatile organic compounds (VOCs) that have high dissolving power and flash point, together with low toxicity and less environmental impact. They should be obtained from renewable resources at a reasonable price and be easy to recycle. Based on the principles of Green Chemistry and Green Engineering, vegetable oils could become an ideal alternative solvent to extract compounds for purification, enrichment, or even pollution remediation. This review presents an overview of vegetable oils as solvents enriched with various bioactive compounds from natural resources, as well as the relationship between dissolving power of non-polar and polar bioactive components with the function of fatty acids and/or lipid classes in vegetable oils, and other minor components. A focus on simulation of solvent-solute interactions and a discussion of polar paradox theory propose a mechanism explaining the phenomena of dissolving polar and non-polar bioactive components in vegetable oils as green solvents with variable polarity.

  11. 钛硅分子筛的改性对环己烷氧化反应的影响%Effect of titanium silicalite modification on cyclohexane oxidation

    Institute of Scientific and Technical Information of China (English)

    宋厚杰; 齐骏鑫; 郭舒隽; 方嘉辉; 陈晓晖; 黄清明

    2016-01-01

    Hollow titanium silicalite( HTS ) was modified by different solutions of H2 SO4-H2 O2 , ( NH4 )2 CO3-H2 O2 ,( NH4 )HF2-H2 O2 and( NH4 )2 CO3 ﹢( NH4 )HF2-H2 O2 . The modified HTS samples were characterized by XRD,UV-Vis and Raman. The catalytic performance of HTS before and after modi-fication for cyclohexane selective oxidation were investigated. The results showed that the modification of HTS did not destroy its topological structure of MFI,improved the relative crystallinity of HTS,and partial anatase TiO2 was removed. Compared with the HTS,the selectivity to cyclohexanol and cyclohexanone, and the utilization rate of H2 O2 over modified HTS were improved obviously. HTS modified by the solution of( NH4 )2 CO3 ﹢( NH4 )HF2 -H2 O2 for cyclohexane selective oxidation exhibited optimal catalytic per-formance,and the selectivity to cyclohexanol and cyclohexanone was increased by 12. 78 percentage point,the utilization rate of H2 O2 was improved by 17. 33 percentage point;HTS modified by the solution of( NH4 )2 CO3 ﹢( NH4 )HF2-H2 O2 remarkably decreased H2 O2 dosage,which had good application pros-pect in the process of caprolactam production.%使用不同改性液H2 SO4-H2 O2、( NH4)2 CO3-H2 O2、( NH4)HF2-H2 O2和( NH4)2 CO3﹢( NH4)HF2-H2 O2混合溶液对中空钛硅分子筛进行改性。采用XRD、UV-Vis和拉曼光谱进行表征分析,考察改性前后钛硅分子筛在环己烷氧化反应的催化性能。结果表明,改性过程没有破坏钛硅分子筛的MFI拓扑结构,但提高了钛硅分子筛相对结晶度,并脱除了部分锐钛矿相TiO2;与未改性钛硅分子筛相比,环己醇和环己酮选择性及H2 O2有效利用率明显提高,以改性液( NH4)2 CO3﹢(NH4)HF2-H2O2改性钛硅分子筛效果最佳,醇酮选择性提高12.78个百分点,H2O2有效利用率提高17.33个百分点;( NH4)2 CO3﹢( NH4)HF2-H2 O2混合溶液改性钛硅分子筛显著降低H2 O2用量,在己内

  12. Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane.

    Science.gov (United States)

    Gruenwald, Katrin R; Kirillov, Alexander M; Haukka, Matti; Sanchiz, Joaquin; Pombeiro, Armando J L

    2009-03-28

    The new mononuclear [Cu(Hbdea)(2)].2Hdnba (), dinuclear [Cu(2)(mu-Hbdea)(2)(N(3))(2)] () and [Cu(2)(mu-Hbdea)(2)(pta)(2)].2H(2)O (), and 1D polymeric [Cu(2)(mu-Hbdea)(2)(mu-tpa)](n).2nH(2)O () copper(II) compounds have been prepared by self-assembly, in aqueous alkali medium and at ambient conditions, from Cu(II) acetate, N-butyldiethanolamine (H(2)bdea) and the corresponding auxiliary reagents, 3,5-dinitrobenzoic acid (Hdnba), sodium azide, p-toluic acid (Hpta) and terephthalic acid (H(2)tpa), respectively. They have been fully characterized by IR spectroscopy, FAB-MS(+), elemental and single-crystal X-ray diffraction analyses, the latter also revealing intensive intermolecular hydrogen bonding in , resulting in the extension of the structural motifs and generation of tetrameric aggregates (in ) and 1D (in ) or 2D (in ) supramolecular networks. All compounds constitute the first examples of Cu complexes derived from N-butyldiethanolamine, while represents also the first coordination polymer bearing this ligand. Magnetic susceptibility measurements reveal that compound follows the Curie-Weiss law, whereas follow the Bleaney-Bowers dinuclear model displaying antiferromagnetic coupling. Compounds act as valuable catalyst precursors for the mild peroxidative oxidation of cyclohexane, by aqueous H(2)O(2) in acidic MeCN medium, to cyclohexanol and cyclohexanone with overall yields up to 38%. The effects of various acid additives (promoters) have been studied, showing the preferable use of trifluoroacetic (TFA), nitric and hydrochloric acids.

  13. Substituent effect on the molecular stability,group interaction,detonation performance,and thermolysis mechanism of nitroamino-substituted cyclopentanes and cyclohexanes

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Density functional theory (DFT) method has been employed to study the effect of nitroamino group as a substituent in cyclopentane and cyclohexane, which usually construct the polycyclic or caged nitra-mines. Molecular structures were investigated at the B3LYP/6-31G** level, and isodesmic reactions were designed for calculating the group interactions. The results show that the group interactions ac-cord with the group additivity, increasing with the increasing number of nitroamino groups. The dis-tance between substituents influences the interactions. Detonation performances were evaluated by the Kamlet-Jacobs equations based on the predicted densities and heats of formation, while thermal stability and pyrolysis mechanism were studied by the computations of bond dissociation energy (BDE). It is found that the contributions of nitroamino groups to the detonation heat, detonation velocity, detonation pressure, and stability all deviate from the group additivity. Only 3a, 3b, and 9a-9c may be novel potential candidates of high energy density materials (HEDMs) according to the quantitative cri-teria of HEDM (ρ≈ 1.9 g/cm3, D ≈ 9.0 km/s, P ≈ 40.0 GPa). Stability decreases with the increasing number of N-NO2 groups, and homolysis of N-NO2 bond is the initial step in the thermolysis of the title com-pounds. Coupled with the demand of thermal stability (BDE > 20 kcal/mol), only 1,2,4-trinitrotriazacy-clohexane and 1,2,4,5-tetranitrotetraazacyclohexane are suggested as feasible energetic materials. These results may provide basic information for the molecular design of HEDMs.

  14. Investigation of the Binding Site of CCR2 using 4-Azetidinyl-1-aryl-cyclohexane Derivatives: A Membrane Modeling and Molecular Dynamics Study

    Energy Technology Data Exchange (ETDEWEB)

    Kothandan, Gugan; Gadhe, Changdev G.; Cho, Seung Joo [Chosun Univ., Gwangju (Korea, Republic of)

    2013-11-15

    Chemokine receptor (CCR2) is a G protein-coupled receptor that contains seven transmembrane helices. Recent pharmaceutical research has focused on the antagonism of CCR2 and candidate drugs are currently undergoing clinical studies for the treatment of diseases like arthritis, multiple sclerosis, and type 2 diabetes. In this study, we analyzed the time dependent behavior of CCR2 docked with a potent 4-azetidinyl-1-aryl-cyclohexane (4AAC) derivative using molecular dynamics simulations (MDS) for 20 nanoseconds (ns). Homology modeling of CCR2 was performed and the 4AAC derivative was docked into this binding site. The docked model of selected conformations was then utilized to study the dynamic behavior of the 4AAC enzyme complexes inside lipid membrane. MDS of CCR2-16b of 4AAC complexes allowed us to refine the system since binding of an inhibitor to a receptor is a dynamic process and identify stable structures and better binding modes. Structure activity relationships (SAR) for 4AAC derivatives were investigated and reasons for the activities were determined. Probable binding pose for some CCR2 antagonists were determined from the perspectives of binding site. Initial modeling showed that Tyr49, Trp98, Ser101, Glu291, and additional residues are crucial for 4AAC binding, but MDS analysis showed that Ser101 may not be vital. 4AAC moved away from Ser101 and the hydrogen bonding between 4AAC and Ser101 vanished. The results of this study provide useful information regarding the structure-based drug design of CCR2 antagonists and additionally suggest key residues for further study by mutagenesis.

  15. Potent antigen-specific immune response induced by infusion of spleen cells coupled with succinimidyl-4-(N-maleimidomethyl cyclohexane)-1-carboxylate (SMCC) conjugated antigens.

    Science.gov (United States)

    Guo, Yixian; Werbel, Tyler; Wan, Suigui; Wu, Haitao; Li, Yaohua; Clare-Salzler, Michael; Xia, Chang-Qing

    2016-02-01

    In the present study, we report our recently developed new approach to inducing antigen-specific immune response. We use two nucleophilic substitution "click" chemistry processes to successfully couple protein antigens or peptides to mouse spleen cells or T cells by a heterobifunctional crosslinker, succinimidyl-4-(N-maleimidomethyl cyclohexane)-1-carboxylate (SMCC) or sulfo-SMCC. SMCC and its water-soluble analog sulfo-SMCC contain N-hydroxysuccinimide (NHS) ester and maleimide groups, which allow stable covalent conjugation of amine- and sulfhydryl-containing molecules in trans. Protein coupling to cells relies on the free sulfhydryls (thiols) on cell surfaces and the free amines on protein antigens. Although the amount of protein coupled to cells is limited due to the limited number of cell surface thiols, the injection of spleen cells coupled with antigenic proteins, such as keyhole limpet hemocyanin (KLH) or ovalbumin (OVA), induces a potent antigen-specific immune response in vivo, which is even stronger than that induced by the injection of a large dose of protein plus adjuvants. In addition, short peptides coupled to purified splenic T cells also potently elicit peptide-specific T cell proliferation in vivo after injection. Further studies show that antigen-coupled spleen cell treatment leads to augmented IFN-γ-producing T cells. Our study provides a unique antigen delivery method that efficiently distributes antigen to the entire immune system, subsequently eliciting a potent antigen-specific immune response with enhanced IFN-γ production. The findings in the present study suggest that this antigen-cell coupling strategy could be employed in immunotherapy for cancers, infectious diseases as well as immune-mediated disorders.

  16. A combination of solvent extraction and freeze thaw for oil recovery from petroleum refinery wastewater treatment pond sludge.

    Science.gov (United States)

    Hu, Guangji; Li, Jianbing; Hou, Haobo

    2015-01-01

    A combination of solvent extraction and freeze thaw was examined for recovering oil from the high-moisture petroleum refinery wastewater treatment pond sludge. Five solvents including cyclohexane (CHX), dichloromethane (DCM), methyl ethyl ketone (MEK), ethyl acetate (EA), and 2-propanol (2-Pro) were examined. It was found that these solvents except 2-Pro showed a promising oil recovery rate of about 40%, but the recycling of DCM solvent after oil extraction was quite low. Three solvents (CHX, MEK and EA) were then selected for examining the effect of freeze/thaw treatment on improving the quality of recovered oil. This treatment increased the total petroleum hydrocarbon (TPH) content in recovered oil from about 40% to 60% for both MEK and EA extractions, but little effect was observed for CHX extraction. Although the solid residue after oil recovery had a significantly decreased TPH content, a high concentration of heavy metals was observed, indicating that this residue may require proper management. In general, the combination of solvent extraction with freeze/thaw is effective for high-moisture oily hazardous waste treatment.

  17. seed oils

    African Journals Online (AJOL)

    Timothy Ademakinwa

    processes, production of biodiesel, as lubricant and in deep-frying purposes. They could also be ..... during the domestic deep-frying and pan- frying of potatoes. Int J Food Sci Nutr. 53, ... commercial edible vegetable oils. JAOCS. 84, 31-36.

  18. ELECTRONS IN NONPOLAR LIQUIDS.

    Energy Technology Data Exchange (ETDEWEB)

    HOLROYD,R.A.

    2002-10-22

    Excess electrons can be introduced into liquids by absorption of high energy radiation, by photoionization, or by photoinjection from metal surfaces. The electron's chemical and physical properties can then be measured, but this requires that the electrons remain free. That is, the liquid must be sufficiently free of electron attaching impurities for these studies. The drift mobility as well as other transport properties of the electron are discussed here as well as electron reactions, free-ion yields and energy levels, Ionization processes typically produce electrons with excess kinetic energy. In liquids during thermalization, where this excess energy is lost to bath molecules, the electrons travel some distance from their geminate positive ions. In general the electrons at this point are still within the coulombic field of their geminate ions and a large fraction of the electrons recombine. However, some electrons escape recombination and the yield that escapes to become free electrons and ions is termed G{sub fi}. Reported values of G{sub fi} for molecular liquids range from 0.05 to 1.1 per 100 eV of energy absorbed. The reasons for this 20-fold range of yields are discussed here.

  19. Tandem mass spectrometry in food safety assessment: the determination of phthalates in olive oil.

    Science.gov (United States)

    Cavaliere, Brunella; Macchione, Barbara; Sindona, Giovanni; Tagarelli, Antonio

    2008-09-26

    A gas chromatography-tandem mass spectrometry (GC-MS/MS) method for the detection of six phthalates in olive oil was developed. A gel permeation chromatography (GPC) clean-up step with cyclohexane:dichoromethane 7:3 as mobile phase was employed to remove the high-molecular mass species present in oil. Two ionization methodologies, i.e. electron (EI) and isobutane-chemical ionization (CI), were compared, in MS/MS mode, to achieve better analytical performances. An overall evaluation of all analytical parameters shows that the EI-MS/MS approach provides satisfactory results and is to be preferred to CI-MS/MS, at least in the case of the examined analytes. The observed accuracies, ranging from 71.7% to 112.2%, and the RSD values less than 9.7%, confirm the effectiveness of the proposed method in the assay of phthalate content in such a complex matrix as olive oil. The proposed protocol for the identification and assay of phthalates in olive oil might be of interest for the implementation of the QS (quality assurance scheme) for residue monitoring in food safety assessment.

  20. Flowsheet Simulation and Parameter Analysis of Separating BenzeneCyclohexane by Batch Extractive Distillation%间歇萃取精馏分离苯-环己烷的流程模拟及参数分析

    Institute of Scientific and Technical Information of China (English)

    李文秀; 贾庆波; 张志刚; 连利燕; 刘雷

    2012-01-01

    In the chemical industry, benzene-cyclohexane mixture is very typical binary azeotrope. In this paper, dimethylsulfoxide(DMSO) and N-methylpyrrolidone(NMP) (DMSO : NMP=1 : 3) were used as the mixed solvent, based on previous experimental validation, a BatchFrac unit operation block in ASPEN PLUS 11.1 was adopted, simulation calculation of the batch extractive distillation for the separation of binary azeotropic benzene-cyclohexane mixture was carried out by choosing UNIFAC as the calculation method of physical property and by changing operation parameters. The simulation results show that the mass rate of overhead cyclohexane is up to 98%. The application of simulation calculation can provide a good theoretical basis for deep study and design reference.%苯和环己烷混合物是化工中非常典型的二元共沸物系.选用二甲基亚砜( DMSO)和N-甲基吡咯烷酮(NMP)的质量配比为DMSO∶NMP=1∶3作为混合溶剂,在前期实验验证基础上,采用ASPEN PLUS11.1化工模拟软件中的BatchFrac单元操作模块,采用UNIFAC物性计算方法,通过改变各操作参数,对苯和环己烷二元共沸物系的分离进行间歇萃取精馏模拟计算.模拟结果表明:常压操作条件下,塔顶环己烷质量分率可达到98%,模拟计算的运用能够为实验进一步研究提供很好的理论依据和设计参考.

  1. Turbine oil

    Energy Technology Data Exchange (ETDEWEB)

    Eminov, E.A.; Bogdanov, Sh.K.; Dovgopolyi, E.E.; Gryaznov, B.V.; Ivanov, V.S.; Ivanova, Z.M.; Kozlova, E.K.; Nikolaeva, N.M.; Rozhdestvenskaya, A.A.

    1981-03-10

    In the known turbine oil (TO), for the purpose of improving the anticorrosion and demulsifying properties, a polyoxypropylene glycol ether, ethylenediamine or propylene glycol or an alkylphenol are additionally introduced, where the C/sub 8/-C/sub 12/ alkyl has a molecular weight of 2000-10,000. The proportions of the components are: 2, 6-di-tert-butyl-4-methylphenol 0.2-1.0%, quinizarin 0.01-0.05%, an acid ester of an alkenylsuccinic acid 0.02-0.1%, a polyoxypropylene glycol ether 0.02-0.2%, polymethylsiloxane 0.003-0.005%, and petroleum oil the remainder. The TO is prepared by mixing the petroleum oil with the additives in any sequence at a temperature of 60-80/sup 0/ by mechanical stirring. On the five TO samples the antioxidative, demulsifying, and anticorrosion properties by comparison with the prototype were investigated. It was shown that the obtained TO possesses improved anticorrosion properties (time until the appearance of Kr (staining.), up to 60 h as against 35 on the prototype) and demulsifying properties (quantity of water separating on breaking the emulsion 10 mg/L as against 65 mg/L on the prototype) for an antioxidative stability equal to that of the analog. The TO is designated for use in various turbo-units, in the first place in marine steam turbine units, where there is the probability of contact of the TO with seawater. Use of the TO makes it possible to increase the service life of the mechanisms, to reduce the amount of oil mixable in the form of an emulsion (by a factor of 1.5 to 2), and to lower the operating expenses.

  2. Soft ionization of saturated hydrocarbons, alcohols and nonpolar compounds by negative-ion direct analysis in real-time mass spectrometry.

    Science.gov (United States)

    Cody, Robert B; Dane, A John

    2013-03-01

    Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾(•). No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.

  3. Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry

    Science.gov (United States)

    Cody, Robert B.; Dane, A. John

    2013-03-01

    Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.

  4. 5′-Methylsulfanyl-4′-oxo-7′-phenyl-3′,4′-dihydro-1′H-spiro[cyclohexane-1,2′-quinazoline]-8′-carbonitrile dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Xuan Liu

    2011-08-01

    Full Text Available In the title compound, C21H21N3OS·C3H7NO, the carbonitrile molecule is built up of two fused six-membered rings and one six-membered ring linked through a spiro C atom. The 1,3-diaza ring adopts an envelope conformation and the cyclohexane ring adopts a chair conformation. The dihedral angle between the aromatic rings is 46.7 (3°. In the crystal, the components are linked by N—H...O hydrogen bonds.

  5. Asymmetric transfer hydrogenation of ketones in aqueous solution catalyzed by Rhodium(III) complexes with C2-symmetric fluorene-ligands containing chiral (1R,2R)-cyclohexane-1,2-diamine

    Energy Technology Data Exchange (ETDEWEB)

    Montalvo-Gonzalez, Ruben [Universidad Autonoma de Nayarit, Tepic, Nay (Mexico). Unidad Academica de Ciencias Quimico Biologicas y Farmaceuticas; Chavez, Daniel; Aguirre, Gerardo; Parra-Hake, Miguel; Somanathan, Ratnasamy, E-mail: somanatha@sundown.sdsu.ed [Instituto Tecnologico de Tijuana, B.C. (Mexico). Centro de Graduados e Investigacion

    2010-07-01

    Two C{sub 2}-symmetric bis(sulfonamide) ligands containing fluorene-chiral (1R, 2R)-cyclohexane-1,2-diamine were complexed to Rh{sup III}(Cp{sup *}) and used as catalyst to reduce aromatic ketones. The corresponding chiral secondary alcohols were obtained in 87-100% ee and 85-99% yield, under asymmetric transfer hydrogenation (ATH) conditions using aqueous sodium formate as the hydride source. With acetophenone, 94% ee and 86-97% yield was achieved with substrate/catalyst (S/C) ratio of 10,000. (author)

  6. 环己烷氧化制备环己酮工艺技术及研究进展%Research progress of process for preparing cyclohexanone by cyclohexane oxidation

    Institute of Scientific and Technical Information of China (English)

    戚品豹; 孙永成; 陈英斌; 赵思远

    2012-01-01

    介绍了目前环己烷氧化制备环己酮的主要生产工艺和工艺改进情况;同时对最新环己酮合成方法进行了介绍,并对环己酮制备工艺的发展进行了展望.%The main process and technical improvement status of preparing cyclohexanone by cyclohexane oxidation are presented. The updating technology for cyclohexanone synthesis is described and the development of cyclohexanone synthesis technology is prospected.

  7. 5′-Methyl-4′-oxo-7′-phenyl-3′,4′-dihydro-1′H-spiro[cyclohexane-1,2′-quinazoline]-8′-carbonitrile

    Directory of Open Access Journals (Sweden)

    Jianhong Tang

    2011-07-01

    Full Text Available The title compound, C21H21N3O, was obtained by cyclocondensation of 3-amino-5-methyl-[1,1′-biphenyl]-2,4-dicarbonitrile with cyclohexanone. The six-membered 1,3-diaza ring assumes an envelope conformation [with the flap atom displaced by 0.511 (7 Å from the plane through the other ring atoms] and the cyclohexane ring displays a chair conformation. The dihedral angle between the aromatic rings is 42.61 (7°.In the crystal, the molecules form hydrogen-bonded bands along [011].

  8. Dimerization of pyramidalized 3,4,8,9-tetramethyltetracyclo [4.4.0.0(3,9).0(4,8)]dec-1(6)-ene to a hydrocarbon featuring four cyclohexane rings in boat conformations.

    Science.gov (United States)

    Rey-Carrizo, Matias; Barniol-Xicota, Marta; Font-Bardia, Mercè; Vázquez, Santiago

    2014-07-28

    The synthesis, chemical trapping, and dimerization of a highly pyramidalized alkene is reported. Its dimer is a unique nonacycle featuring three planar cyclobutane rings, four cyclopentane rings, and four cyclohexane rings in boat conformations. The X-ray diffraction analysis showed a H-H distance between the flagpole hydrogen atoms of 1.999 Å and a separation of 2.619 Å between the two flagpole carbon atoms. The three cyclobutane rings of the dimer were thermally stable.

  9. Harnessing oil sands microbial communities for use in ex situ naphthenic acid bioremediation.

    Science.gov (United States)

    Demeter, Marc A; Lemire, Joe; George, Iain; Yue, Gordon; Ceri, Howard; Turner, Raymond J

    2014-02-01

    The caustic hot water extraction process used to release bitumen from the Alberta oil sands generates large volumes of tailings waste, or oil sands process water (OSPW). OSPW contains several components of environmental concern including diluents, polyaromatic hydrocarbons, heavy metals, and naphthenic acids (NAs); the latter are of particular concern as they are acutely toxic to aquatic organisms and mammals. Studies have demonstrated that the naturally occurring OSPW bacteria are capable of metabolizing the NAs. However, this in situ process takes place over hundreds of years, and is incomplete, leaving a recalcitrant fraction of NAs intact. In this study we explore options for recovering and harnessing the naturally occurring OSPW bacteria for potential future use in an aerobic ex situ OSPW treatment system. Here we evaluate our recovered microbes on their ability to degrade two model NAs, cyclohexane carboxylic acid and cyclohexane acetic acid. Using OSPW as a source for a bacterial inoculum, we were able to compare single and multispecies OSPW cultures, grown as either a biofilm, or as a planktonic suspension. Furthermore, we examined the effect of available nutrients on the ability of these cultures to degrade NAs. All biofilms were grown using the Calgary Biofilm Device. GC-MS, and GC-FID reveal that multispecies biofilm and planktonic cultures are each capable of degrading both NAs; a trait not observed for single species cultures. Moreover, complementary carbon sources have a tangible effect on the ability of the cultures to initiate the degradation of the NAs. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Chemistry of oil shale

    Energy Technology Data Exchange (ETDEWEB)

    Iida, T.

    1974-01-01

    A review with several references covers the formation, distribution, and mining of oil shales of Fu-Shun colliery; retorting furnaces for oil shale; refining of crude shale oils; and components of oil from Fu-Shun oil shales including pyrolle, matrine, fatty acid anilides, 2,4,5-trimethylpyrrole, and middle-layer bases.

  11. A detailed study on chemical characterization of essential oil components of two Plectranthus species grown in Saudi Arabia

    Directory of Open Access Journals (Sweden)

    Merajuddin Khan

    2016-11-01

    Full Text Available The chemical composition of the essential oils of Plectranthus cylindraceus and Plectranthus arabicus grown in Saudi Arabia were analyzed using gas chromatography techniques (GC–MS, GC–FID, Co-GC, LRI determination, and database and literature searches using two different stationary phase columns (polar and nonpolar. The analysis led to the characterization of a total of 157 different compounds from both oils. In the oil derived from P. cylindraceus, 79 compounds were identified, whereas 132 compounds were identified in the oil derived from P. arabicus; these compounds account for 95.2% and 98.4% of the total oil compositions, respectively. The major constituents of P. cylindraceus oil were patchouli alcohol (55.5 ± 0.01%, 1,8-cineole (6.0 ± 0.01% and valerianol (3.8 ± 0.18%, whereas, the main compounds of the P. arabicus oil were 1,8-cineole (50.5 ± 1.37%, β-pinene (7.0 ± 0.08%, camphor (6.3 ± 0.19% and β-myrcene (4.1 ± 0.10%. To the best of our knowledge, patchouli alcohol found in high concentration in the P. cylindraceus oil has never been reported from the genus Plectranthus. Moreover, this is the first phytochemical study of P. arabicus.

  12. In vitro efficacy of essential oils and extracts of Schinus molle L. against Ctenocephalides felis felis.

    Science.gov (United States)

    Batista, Lilian C De S O; Cid, Yara P; De Almeida, Ana Paula; Prudêncio, Edlene R; Riger, Cristiano J; De Souza, Marco A A; Coumendouros, Katherine; Chaves, Douglas S A

    2016-04-01

    Extracts and essential oils from plants are important natural sources of pesticides. These compounds are considered an alternative to control ectoparasites of veterinary importance. Schinus molle, an endemic species of Brazil, produces a high level of essential oil and several other compounds. The aim of this work was to determinate the chemical composition of extracts and essential oils of S. molle and further to evaluate the activity against eggs and adults of Ctenocephalides felis felis, a predominant flea that infests dogs and cats in Brazil. In an in vitro assay, the non-polar (n-hexane) extract showed 100% efficacy (800 µg cm(-2); LD50 = 524·80 µg cm(-2)) at 24 and 48 h. Its major compound was lupenone (50·25%). Essential oils from fruits and leaves were evaluated, and had 100% efficacy against adult fleas at 800 µg cm(-2) (LD50 = 353·95 µg cm(-2)) and at 50 µg cm(-2) (LD50 = 12·02 µg cm(-2)), respectively. On the other hand, the essential oil from fruits and leaves was not active against flea eggs. This is the first study that reports the insecticidal effects of essential oils and extracts obtained from Schinus molle against Ctenocephalides felis felis.

  13. Exploring Oil Pollution

    Science.gov (United States)

    Rillo, Thomas J.

    1974-01-01

    Discusses damages of oil tanker spillage to the marine organisms and scientists' research in oil pollution removal techniques. Included is a list of learning activities concerning the causes and effects of oil pollution and methods of solving the problem. (CC)

  14. Rheology of Structured Oils

    Science.gov (United States)

    Kelbaliev, G. I.; Rasulov, S. R.; Rzaev, A. G.; Mustafaeva, G. R.

    2017-07-01

    Rheological models of structured oils are proposed and compared with available experimental data on oils from different deposits. It is shown that structured oils can possess properties of Bingham and power-law non-Newtonian fluids.

  15. Cedar leaf oil poisoning

    Science.gov (United States)

    Cedar leaf oil is made from some types of cedar trees. Cedar leaf oil poisoning occurs when someone swallows this substance. ... The substance in cedar leaf oil that can be harmful is thujone (a hydrocarbon).

  16. Mode Coupling between the Nonpolar K3 and Polar Γ2-Phonons as the Ferroelectricity Origin of Multiferroic h-LuMnO3

    Science.gov (United States)

    Song, Seungwoo; Heo, Seungyang; Jang, Hyun Myung

    2014-03-01

    LuMnO3 is expected to show the highest stability towards the hexagonal phase among 15 different lanthanide-based manganites. Currently, the most puzzling problem associated with the hexagonal LuMnO3 (h-LMO) is the observed large temperature-gap between the structural phase transition to the polar P63cm phase at ~ 1290 K and the emergence of the spontaneous polarization at a substantially reduced temperature, ~ 750 K. This anomalous temperature-gap has also been observed in h-YMnO3. To resolve this puzzling issue, we have carried out density-functional theory calculations and found that the structural phase transition to the polar P63 cm phase from the nonpolar P63/mmc phase is mediated by the freezing-in of the zone-boundary K3 phonon in h-LMO. However, the spontaneous ferroelectric polarization does not appear until the amplitude of K3 phonon becomes a certain critical value above which the coupling of the polar Γ2-mode with the nonpolar K3 mode is practically turned on. This mode-coupling-induced polarization, thus, elucidates the above puzzle.

  17. Growth of non-polar (11-20 InGaN quantum dots by metal organic vapour phase epitaxy using a two temperature method

    Directory of Open Access Journals (Sweden)

    J. T. Griffiths

    2014-12-01

    Full Text Available Non-polar (11-20 InGaN quantum dots (QDs were grown by metal organic vapour phase epitaxy. An InGaN epilayer was grown and subjected to a temperature ramp in a nitrogen and ammonia environment before the growth of the GaN capping layer. Uncapped structures with and without the temperature ramp were grown for reference and imaged by atomic force microscopy. Micro-photoluminescence studies reveal the presence of resolution limited peaks with a linewidth of less than ∼500 μeV at 4.2 K. This linewidth is significantly narrower than that of non-polar InGaN quantum dots grown by alternate methods and may be indicative of reduced spectral diffusion. Time resolved photoluminescence studies reveal a mono-exponential exciton decay with a lifetime of 533 ps at 2.70 eV. The excitonic lifetime is more than an order of magnitude shorter than that for previously studied polar quantum dots and suggests the suppression of the internal electric field. Cathodoluminescence studies show the spatial distribution of the quantum dots and resolution limited spectral peaks at 18 K.

  18. Fatty acid profiles of polar and non-polar lipids of Pleurotus ostreatus and P. cornucopiae var. 'citrino-pileatus' grown at different temperatures.

    Science.gov (United States)

    Pedneault, Karine; Angers, Paul; Avis, Tyler J; Gosselin, André; Tweddell, Russell J

    2007-10-01

    The application of fatty acid (FA) composition data has now extended to studies of physiology, chemotaxonomy, and intrageneric differentiation, as well as to studies of human nutrition. Environmental factors such as nutritional components, oxygen, and temperature are known to affect lipid content and composition in living organisms, including fungi. In the present study, the polar and non-polar lipid content of Pleurotus ostreatus and P. cornucopiae var. citrino-pileatus fruiting bodies produced at temperatures ranging from 12-27 degrees C and from 17-27 degrees C, respectively, were analysed to evaluate the effect of temperature on lipid composition in these mushrooms. Results showed that lowering the growth temperature below 17 degrees C generally provided an expected increase in FA unsaturation in polar and non-polar lipids of P. ostreatus. Although raising the temperature above 17 degrees C did not show any clear-cut tendency in FA unsaturation, it did reveal that growth temperature had a differential effect on the FA profiles in fruiting bodies of P. ostreatus and P. cornucopiae. This study suggests that care should be taken when using FA content and unsaturation data for physiological, chemotaxonomic, and intrageneric differentiation studies, and that it may be possible to manipulate lipid unsaturation in Pleurotus spp. through modified growth temperatures.

  19. Characterization of electron-beam recorded microdomain patterns on the nonpolar surface of LiNbO{sub 3} crystal by nondestructive methods

    Energy Technology Data Exchange (ETDEWEB)

    Kokhanchik, L. S. [Institute of Microelectronics Technology and High Purity Materials of the Russian Academy of Sciences, 142432 Chernogolovka, Moscow District (Russian Federation); Gainutdinov, R. V.; Volk, T. R., E-mail: volk@ns.crys.ras.ru [Institute of Crystallography of the Russian Academy of Sciences, 119333 Moscow (Russian Federation); Mishina, E. D.; Lavrov, S. D. [Moscow State Institute of Radio Engineering, Electronics and Automation, 119454 Moscow (Russian Federation)

    2014-10-06

    We report on characterization of the electron-beam fabricated planar domain gratings on the nonpolar (Y-) surface of LiNbO{sub 3} crystals performed with the use of AFM and confocal second harmonic generation (SHG) microscopy. The dependence of domain formation on the irradiation conditions was investigated. The relation of domain thicknesses to the electron penetration depth is experimentally proved. In particular, the possibility of controlling the thickness of planar domains by varying acceleration electron-beam voltages is demonstrated. The observed specificity of SHG is analyzed in the framework of the Kleinman-Boyd theory [G. D. Boyd and D. A. Kleinman, J. Appl. Phys. 39, 3597 (1968)] and Uesu approach [Kaneshiro et al., J. Appl. Phys. 104, 054112 (2008); Kaneshiro et al., J. Opt. Soc. Am. B 27, 888 (2010)] extended in our case to reflection geometry. The calculations performed predict the dependence of SHG conversion efficiency η on the domain thickness, which is in a qualitative agreement with the experiment. It is shown that planar domains on top of the nonpolar surface always enhance the value of η as compared with the bare surface.

  20. Characterization of electron-beam recorded microdomain patterns on the nonpolar surface of LiNbO3 crystal by nondestructive methods

    Science.gov (United States)

    Kokhanchik, L. S.; Gainutdinov, R. V.; Mishina, E. D.; Lavrov, S. D.; Volk, T. R.

    2014-10-01

    We report on characterization of the electron-beam fabricated planar domain gratings on the nonpolar (Y-) surface of LiNbO3 crystals performed with the use of AFM and confocal second harmonic generation (SHG) microscopy. The dependence of domain formation on the irradiation conditions was investigated. The relation of domain thicknesses to the electron penetration depth is experimentally proved. In particular, the possibility of controlling the thickness of planar domains by varying acceleration electron-beam voltages is demonstrated. The observed specificity of SHG is analyzed in the framework of the Kleinman-Boyd theory [G. D. Boyd and D. A. Kleinman, J. Appl. Phys. 39, 3597 (1968)] and Uesu approach [Kaneshiro et al., J. Appl. Phys. 104, 054112 (2008); Kaneshiro et al., J. Opt. Soc. Am. B 27, 888 (2010)] extended in our case to reflection geometry. The calculations performed predict the dependence of SHG conversion efficiency η on the domain thickness, which is in a qualitative agreement with the experiment. It is shown that planar domains on top of the nonpolar surface always enhance the value of η as compared with the bare surface.

  1. THE INFLUENCE OF POLAR AND NON-POLAR EMOLLIENTS ON THE STRUCTURE AND SKIN MOISTURIZING POTENTIAL OF THE EMULSIONS STABILIZED BY MIXED EMULSIFIER

    Directory of Open Access Journals (Sweden)

    Dragana Stojiljković

    2016-06-01

    Full Text Available The appropriate moisture content in the stratum corneum, as a superficial layer of the epidermis, provides softness and flexibility of the skin in different environmental conditions, and maintaining of skin humidity is very important in dermatology and dermocosmetology. In this paper, we investigated the skin moisturizing potential after a single application and structure of the emulsion of o/w type, stabilized by mixed emulsifier glycerylmonostearate self-emulsifying (GMSse, which contained polar emollients (PEG-7 glicerylcocoate and myristyl myristate and non-polar emollient (liquid paraffin, in a concentration of 10% (emulsions E1-E3, respectively. The emulsion structure was investigated by polarization microscopy, and the presence of different anisotropic structure was observed. The moisturizing potential after a single application and skin pH were investigated by skin bioengineering. Emulsions with polar emollients (E1 and E2 showed a statistically significant increase in skin moisture content after 30 minutes; 300 min after applications it did not exist; emulsion with a non-polar emollient (E3 showed significant moisturizing potential after 30 min and after 300 min probably as a consequence of occlusion. Nature and polarity of emollients affected the structure and properties of emulsions stabilized by anisotropic structures, and also the moisturizing level and pH of the skin immediately after their application.

  2. Current mapping of nonpolar a-plane and polar c-plane GaN films by conductive atomic force microscopy

    Science.gov (United States)

    Xu, Shengrui; Jiang, Teng; Lin, Zhiyu; Zhao, Ying; Yang, Linan; Zhang, Jincheng; Li, Peixian; Hao, Yue

    2016-10-01

    Nonpolar (11-20) a-plane GaN and polar (0001) c-plane GaN films have been grown by metal organic chemical vapor deposition on r-plane (1-102) and c-plane (0001) sapphire substrates, respectively. Conductive atomic force microscopy (C-AFM) has been used to investigate the local conductivity of the films. C-AFM shows enhanced current conduction within the etch pits of c-plane GaN and triangular pits of a-plane GaN. The results indicate that the off-axis planes are more electrically active than c-plane and a-plane. Surprisingly, the C-AFM values in triangular pit of the a-plane GaN are much smaller than that in etch pits of the c-plane GaN. The dislocations type related current leakage mechanism is revealed for polar c-plane and nonpolar a-plane GaN films.

  3. Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

    Science.gov (United States)

    Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

    2002-01-01

    The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

  4. Influence of the Oil Phase and Topical Formulation on the Wound Healing Ability of a Birch Bark Dry Extract.

    Science.gov (United States)

    Steinbrenner, Isabel; Houdek, Pia; Pollok, Simone; Brandner, Johanna M; Daniels, Rolf

    2016-01-01

    Triterpenes from the outer bark of birch are known for various pharmacological effects including enhanced wound healing (WH). A birch bark dry extract (TE) obtained by accelerated solvent extraction showed the ability to form oleogels when it is suspended in oils. Consistency of the oleogels and the dissolved amount of triterpenes varies largely with the used oil. Here we wanted to know to what extent different oils and formulations (oleogel versus o/w emulsion) influence WH. Looking at the plain oils, medium-chain triglycerides (MCT) enhanced WH (ca. 1.4-fold), while e.g. castor oil (ca.0.3-fold) or light liquid paraffin (LLP; ca. 0.5-fold) significantly decreased WH. Concerning the respective oleogels, TE-MCT showed no improvement although the solubility of the TE was high. In contrast, the oleogel of sunflower oil which alone showed a slight tendency to impair WH, enhanced WH significantly (ca. 1.6-fold). These results can be explained by release experiments where the release rate of betulin, the main component of TE, from MCT oleogels was significantly lower than from sunflower oil oleogels. LLP impaired WH as plain oil and even though it released betulin comparable to sunflower oil it still results in an overall negative effect of the oleogel on WH. As a further formulation option also surfactant free o/w emulsions were prepared using MCT, sunflower oil and LLP as a nonpolar oil phase. Depending on the preparation method (suspension or oleogel method) the distribution of the TE varied markedly and affected also release kinetics. However, the released betulin was clearly below the values measured with the respective oleogels. Consequently, none of the emulsions showed a significantly positive effect on WH. In conclusion, our data show that the oil used as a vehicle influences wound healing not only by affecting the release of the extract, but also by having its own vehicle effect on wound healing. This is also of importance for other applications where drugs

  5. Particles at Oil-Air Surfaces: Powdered Oil, Liquid Oil Marbles, and Oil Foam.

    Science.gov (United States)

    Binks, Bernard P; Johnston, Shaun K; Sekine, Tomoko; Tyowua, Andrew T

    2015-07-08

    The type of material stabilized by four kinds of fluorinated particles (sericite and bentonite platelet clays and spherical zinc oxide) in air-oil mixtures has been investigated. It depends on the particle wettability and the degree of shear. Upon vigorous agitation, oil dispersions are formed in all the oils containing relatively large bentonite particles and in oils of relatively low surface tension (γla cyclomethicone containing the other fluorinated particles. Particle-stabilized oil foams were obtained in oils having γla > 26 mN m(-1) where the advancing air-oil-solid contact angle θ lies between ca. 90° and 120°. Gentle shaking, however, gives oil-in-air liquid marbles with all the oil-particle systems except for cases where θ is 24 mN m(-1) with omniphobic zinc oxide and sericite particles for which advancing θ ≥ 90°, dry oil powders consisting of oil drops in air which do not leak oil could be made upon gentle agitation up to a critical oil:particle ratio (COPR). Above the COPR, catastrophic phase inversion of the dry oil powders to air-in-oil foams was observed. When sheared on a substrate, the dry oil powders containing at least 60 wt % of oil release the encapsulated oil, making these materials attractive formulations in the cosmetic and food industries.

  6. Photoreactions of 2-(furan-2-yl)-3-hydroxy-4H-chromen-4-one and 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one using cyclohexane and acetonitrile as solvents.

    Science.gov (United States)

    Kaur, Kulvir; Kaur, Ranbir; Tomar, Jyoti; Bansal, Manisha

    2017-08-09

    Photolysis of the titled chromenones was carried out at their longest absorption band (∼360 nm) using cyclohexane (CH) and acetonitrile (ACN) as solvents, in both aerated and de-aerated solutions. Different dimeric photoproducts were formed with both chromenones in aerated solutions. On photolysing 2-(furan-2-yl)-3-hydroxy-4H-chromen-4-one (FHC) in aerated cyclohexane, 2-(furan-2-yl)-2-{[2-(furan-2yl)-4-oxo-4H-chromen-3-yl]oxy}-2H-chromene-3,4-dione (a dehydrodimer) was formed, and on photolysing 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (THC) in aerated ACN, a different dimeric product was isolated and identified. The corresponding 3-aryl-3-hydroxy-1,2-indandiones were also detected with FHC in ACN and with THC in CH, in addition to the dimeric products in both cases. On the other hand, in the de-aerated solutions, only the corresponding 1,2-indandiones were detected. 3-(Furan-2-yl)isobenzofuran-1(3H)-one as a secondary product was also detected with FHC in both solvents. An attempt was made to isolate the spectra of the photoproducts in situ. Excited State Intramolecular Proton Transfer (ESIPT) and Excited State Intramolecular Charge Transfer (ESICT) processes complicate the photodynamics of the reaction, making it difficult to predict the mechanisms of the photoreactions. However, tentative mechanisms have been proposed for the formation of the photoproducts.

  7. Experimental and computational study of the structure and spectroscopic properties of 1‧,3‧-Dihydrospiro[cyclohexane-1,2‧-[2H]imidazo[4,5-b]pyridine

    Science.gov (United States)

    Vural, H.; Kara, M.; İdil, Ö.

    2016-12-01

    The optimized molecular geometry and vibrational frequencies of 1‧,3‧-Dihydrospiro[cyclohexane-1,2‧-[2H]imidazo[4,5-b]pyridine] were calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. The vibrational spectrum was experimentally recorded using Fourier Transform-Infrared (FT-IR). Gauge-independent atomic orbital (GIAO) 1H and 13C nuclear magnetic resonance (NMR) chemical shift values of the 1‧,3‧-Dihydrospiro[cyclohexane-1,2‧-[2H]imidazo[4,5-b]pyridine] were calculated using DFT/B3LYP/6-311G + (d, p). The electronic properties such as HOMO-LUMO energies, absorption wavelengths, and excitation energy were investigated by time dependent DFT (TD-DFT) method with integral equation formalism-polarized continuum model (IEF-PCM). The mulliken charges on the atoms and second-order interaction energies were derived from NBO analysis. The electric dipole moment, the mean polarizability and the mean first hyperpolarizability values were also computed by using the DFT method. The effect of the molecule on pBR322 plasmid DNA was monitored by agarose gel electrophoresis experiments. The antimicrobial activities were tested by using minimal inhibitory concentration method (MIC).

  8. Arsenolipids in oil from blue whiting Micromesistius poutassou – evidence for arsenic-containing esters

    Science.gov (United States)

    Taleshi, Mojtaba S.; Raber, Georg; Edmonds, John S.; Jensen, Kenneth B.; Francesconi, Kevin A.

    2014-01-01

    Arsenic-containing lipids in the oil from the blue whiting fish (Micromesistius poutassou) were separated into three broad polarity groups and investigated by HPLC and mass spectrometry. A total of 11 arsenolipids including 4 new compounds were identified. The polar lipid fraction constituting 24% of the total arsenolipid content (which totalled 2.16 μg As/g) contained four known dimethylarsinoyl fatty acids and three known dimethylarsinoyl hydrocarbons. The less polar fraction (ca 30% of the total arsenolipids) contained four new dimethylarsinoyl hydrocarbons with chain lengths 22–30 carbons, in addition to more complex arsenicals that hydrolysed to known dimethylarsinoyl fatty acids suggesting they were conjugated carboxylic acids, presumably esters. The rest of the lipid-soluble arsenic (ca 45% of the total) remained in the non-polar fraction together with the bulk of the fish oil lipids, a complex mixture of compounds that precluded identification of the small amounts of arsenolipids. PMID:25502848

  9. Determination of N-methylpyrrolidone in lubricating oil samples by g. c

    Energy Technology Data Exchange (ETDEWEB)

    Bhagat, S.D.; Aswal, D.S.; Badoni, R.P.

    1989-06-01

    A rapid gas chromatographic procedure has been developed for quantitative estimation of N-methyl-2-pyrrolidone (NMP) in extract and raffinate phases of lubricating oil extraction processes. Column backflush technique or lubricating oil trap devices were the two approaches used to avoid the interference of lube hydrocarbons with the normal analysis of NMP. The proposed method is based on an internal standardization technique applying tetralin as a reference compound. NMP content was determined from the calibration curve drawn with known weight ratios of NMP and tetralin against the corresponding area ratios. Carbowax 20 M was found to be the best analytical column for separation and quantitation work, whereas a non-polar phase OV-101 was used as lube retainer. FID and TCD systems were employed to cover a wide concentration range from traces to high percentages of NMP. 8 refs., 2 figs., 2 tabs.

  10. Biological activity of novel N-substituted amides of endo-3-(3-methylthio-1,2,4-triazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and N-substituted amides of 1-(5-methylthio-1,2,4-triazol-3-yl)cyclohexane-2-carboxylic acids.

    Science.gov (United States)

    Pachuta-Stec, Anna; Kosikowska, Urszula; Chodkowska, Anna; Pitucha, Monika; Malm, Anna; Jagiełło-Wójtowicz, Ewa

    2012-01-01

    N-Substituted amides of endo-3-(3-methylthio-1,2,4-triazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and 1-(5-methylthio-1,2,4-triazol-3-yl)cyclohexane-2-carboxylic acid were prepared by the condensation reaction of endo-S-methyl-N1-(bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl)isothiosemicarbazide and S-methyl-N1-(cyclohexane-2,3-dicarbonyl)isothiosemicarbazide with primary amines. The synthesized compounds were screened for their microbiological and pharmacological activities.

  11. Experimental and theoretical study of polarized photoluminescence caused by anisotropic strain relaxation in nonpolar a-plane textured ZnO grown by a low-pressure chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chih-Ming [Department of Electronic Engineering, Ming Chuan University, Taoyuan 333, Taiwan (China); Huang, Yu-En; Feng, Shih-Wei, E-mail: swfeng@nuk.edu.tw [Department of Applied Physics, National University of Kaohsiung, Kaohsiung 811, Taiwan (China); Kou, Kuang-Yang [Department of Traffic Science, Central Police University, Taoyuan 333, Taiwan (China); Chen, Chien-Hsun [Green Energy and Environment Research Labs, Industrial Technology Research Institute, Hsinchu 310, Taiwan (China); Tu, Li-Wei [Department of Physics and Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 804, Taiwan (China)

    2015-07-13

    Anisotropic strain relaxation and the resulting degree of polarization of photoluminescence (PL) in nonpolar a-plane textured ZnO are experimentally and theoretically studied. A thicker nonpolar a-plane textured ZnO film enhances the anisotropic in-plane strain relaxation, resulting in a larger degree of polarization of PL and better sample quality. Anisotropic in-plane strains, sample quality, and degree of polarization of PL in nonpolar a-plane ZnO are consequences of the degree of anisotropic in-plane strain relaxation. By the k·p perturbation approach, simulation results of the variation of the degree of polarization for the electronic transition upon anisotropic in-plane strain relaxation agree with experimental results.

  12. [MICROBIAL DESTRUCTION MINERAL (OIL) MOTOR OIL].

    Science.gov (United States)

    Homenko, L A; Nogina, T M

    2015-01-01

    In a review information is presented about composition of mineral motor oils and their negative impact on the environment and the ability of microorganisms, in particular actinobacteria, to assimilate hydrocarbon oil components. The role of bacteria is described in the process of cleaning up polluted environments motor oils and the prospect of their use in biotechnology, environmental clean-up of these pollutants.

  13. Non-Petroleum Oils

    Science.gov (United States)

    These include synthetics such as silicone fluids and tung oils, wood-derivative oils such as resin/rosin, animal fats/oil, and seed oils. Many have similar physical properties to petroleum-based, such as water insolubility and formation of slicks.

  14. Double relaxation phenomena of associated binary polar liquid mixture in non-polar solvent under high frequency electric field

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, S. [Department of Electronics and Instrumentation Engg (India)], E-mail: swapansit@yahoo.co.in; Sit, S.K. [Department of Physics, Dr. Meghnad Saha Institute of Technology, Debhog, Haldia, Purba Medinipore, West Bengal 721657 (India)

    2009-06-25

    Double relaxation times {tau}{sub 2} and {tau}{sub 1} due to whole molecular rotation and the flexible parts of the binary polar liquid mixture (jk) 3-bromoaniline and 1-propanol dissolved in non-polar solvent (i) benzene were estimated in terms of measured real {chi}{sup '}{sub ijk}, imaginary {chi}{sup ''}{sub ijk} parts of complex high frequency orientational susceptibility {chi}{sub ijk}{sup *} and {chi}{sub 0ijk} which is real at 20, 30, 40 and 47 deg. C experimental temperatures for 0.0, 0.25, 0.50,0.75 and 1.00 mole fractions x{sub j}'s of 1-propanol under 9.1 GHz electric field. The slopes {omega}({tau}{sub 2} + {tau}{sub 1}) and intercepts {omega}{sup 2}{tau}{sub 2}{tau}{sub 1} of the analytical straight line equations used to estimate {tau}{sub 2} and {tau}{sub 1} were derived from Bergmann's equation [U. Saha, S.K. Sit, R.C. Basak, S. Acharyya, J. Phys. D: Appl. Phys. 27 (1994) 596] based on two Debye type dispersion model of binary polar mixture. The systems 3-bromoaniline in C{sub 6}H{sub 6} and 1-propanol in C{sub 6}H{sub 6} show {tau}{sub 2} and {tau}{sub 1} only at 47 deg. C temperature like 3-bromoaniline + 1-propanol in C{sub 6}H{sub 6} at 20 and 47 deg. C temperatures for 0.25 and 0.50 mole fractions x{sub j}'s of 1-propanol. The binary polar mixture for x{sub j} = 0.75 of 1-propanol is an exception exhibiting double relaxation times at all the experimental temperatures. The relative contributions c{sub 1} and c{sub 2} due to {tau}{sub 1} and {tau}{sub 2} for eight non-rigid systems were calculated from Froehlich's equation as well as graphical plots of {chi}{sup '}{sub ijk}/{chi}{sub 0ijk}-w{sub jk} and {chi}{sup ''}{sub ijk}/{chi}{sub 0ijk}-w{sub jk} curve at w{sub jk}{yields}0. c{sub 1} and c{sub 2} are positive for Froehlich's method whereas most of the c{sub 2}'s are negative for graphical method. The dipole moments {mu}{sub 2} and {mu}{sub 1} for all the systems are calculated from

  15. Antiwear performance and mechanism of an oil-miscible ionic liquid as a lubricant additive.

    Science.gov (United States)

    Qu, Jun; Bansal, Dinesh G; Yu, Bo; Howe, Jane Y; Luo, Huimin; Dai, Sheng; Li, Huaqing; Blau, Peter J; Bunting, Bruce G; Mordukhovich, Gregory; Smolenski, Donald J

    2012-02-01

    An ionic liquid (IL) trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate has been investigated as a potential antiwear lubricant additive. Unlike most other ILs that have very low solubility in nonpolar fluids, this IL is fully miscible with various hydrocarbon oils. In addition, it is thermally stable up to 347 °C, showed no corrosive attack to cast iron in an ambient environment, and has excellent wettability on solid surfaces (e.g., contact angle on cast iron lubricating oils. For example, a 5 wt % addition into a synthetic base oil eliminated the scuffing failure experienced in neat oil and, as a result, reduced the friction coefficient by 60% and the wear rate by 3 orders of magnitude. A synergistic effect on wear protection was observed with the current antiwear additive when added into a fully formulated engine oil. Nanostructure examination and composition analysis revealed a tribo-boundary film and subsurface plastic deformation zone for the metallic surface lubricated by the IL-containing lubricants. This protective boundary film is believed to be responsible for the IL's antiscuffing and antiwear functionality.

  16. Oil Reserve Center Established

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Like other countries,China has started to grow its strategic oil reserve in case oil supplies are cut On December 18,2007,the National Development and Reform Commission(NDRC),China’s top economic planner,announced that the national oil reserve center has been officially launched.The supervisory system over the oil reserves has three levels: the energy department of the NDRC,the oil reserve center,and the reserve bases.

  17. Oil spill contingency planning

    Energy Technology Data Exchange (ETDEWEB)

    Kip, S.H. (Sarawak Shell Bhd/Saban Shell Petroleum Co. Ltd. (MY))

    1988-01-01

    Oil spill contingency planning is an essential feature required in present day activities involving oil and gas exploration, production and transportation. A well through out continency plan will not only eliminate or minimize the sense of panic, normally associated with oil spill emergency, but also can minimize damage and cost involved. Oil spill contingency planning is a process of predetermining a response to an oil spill emergency. The process of preparing a contingency plan is discussed in this paper.

  18. Developments in Oil Shale

    Science.gov (United States)

    2008-11-17

    demonstration (RD&D). The ongoing program will confirm whether an economically significant shale oil volume can be extracted under current operating...Petroleum Trade, [http://www.eia.doe.gov/emeu/mer/pdf/pages/sec1_15.pdf]. 2 Oil sands yield a bitumen substantially heavier most crude oils and shale oil. 3...hydrocarbon products that can be extracted from the shale. The most promising oil shales occur in the Green River formation that underlies 16,000 square

  19. Selective catalytic oxidation of cyclohexane over Cu/SBA-15 mesoporous catalyst%环己烷在Cu/SBA-15介孔催化剂上的选择性催化氧化

    Institute of Scientific and Technical Information of China (English)

    吕平; 孙尚屹; 包瑞新

    2013-01-01

    采用后嫁接法制备出了负载量为12%的Cu/SBA-15催化剂,借助N2吸附脱附、X射线衍射、透射扫描电子显微镜等分析检测方法表征了Cu/SBA-15催化剂的理化性质.在无任何有机溶剂及其他助剂的条件下,以空气为氧化剂使环己烷发生选择性氧化反应,评价了Cu/SBA-15催化剂的催化性能.结果表明,与SBA-15相比,Cu/SBA-15的比表面积、孔容等物理性能有所下降,能够很好地保持着SBA-15的介孔结构及长程有序性;SBA-15对环己烷的选择性氧化反应没有催化活性,Cu/SBA-15对环己烷的选择性氧化反应具有较强催化活性;使用Cu/SBA-15催化剂,环己烷转化率为41.72%,环己醇产率为14.12%,环己酮产率为27.6%.%Cu/SBA-15 (mass fraction of Cu 12%) supported catalyst was prepared by post-synthesis process and characterized by N2 adsorptiondesorption,X-ray diffraction and high resolution transmission electron microscopy.The behavior of the catalyst was evaluated through the selective catalytic oxidation of cyclohexane with air as oxidant in the absence of organic solvent and auxiliary agent.The results showed that Cu/SBA-15 maintained similar mesoporous structure and long-range order to SBA-15 and had lower specific surface area and pore volume compared to SBA-15.Cu/SBA-15 had higher catalytic activity and selectivity in the oxidation reaction of cyclohexane,but SBA-15 had no activity for the same reaction.In the presence of Cu/SBA-15,the conversion of cyclohexane was 41.72%,the yield of cyclohexanol was 14.12% and cyclohexanone 27.6%.

  20. Nonpolar m-plane GaN/AlGaN heterostructures with intersubband transitions in the 5-10 THz band.

    Science.gov (United States)

    Lim, C B; Ajay, A; Bougerol, C; Haas, B; Schörmann, J; Beeler, M; Lähnemann, J; Eickhoff, M; Monroy, E

    2015-10-30

    This paper assesses intersubband (ISB) transitions in the 1-10 THz frequency range in nonpolar m-plane GaN/AlGaN multi-quantum-wells deposited on free-standing semi-insulating GaN substrates. The quantum wells (QWs) were designed to contain two confined electronic levels, decoupled from the neighboring wells. Structural analysis reveals flat and regular QWs in the two perpendicular in-plane directions, with high-angle annular dark-field scanning transmission electron microscopy images showing inhomogeneities of the Al composition in the barriers along the growth axis. We do not observe extended structural defects (stacking faults or dislocations) introduced by the epitaxial process. Low-temperature ISB absorption from 1.5 to 9 THz (6.3-37.4 meV) is demonstrated, covering most of the 7-10 THz band forbidden to GaAs-based technologies.

  1. Band-edge optical transitions in a nonpolar-plane GaN substrate: exciton-phonon coupling and temperature effects

    Science.gov (United States)

    Wang, M. Z.; Xu, S. J.

    2016-09-01

    We present a detailed investigation of the band-edge optical transitions involving the interacting exciton-phonon system, especially first-order longitudinal optical (LO) phonon-assisted luminescence of bound and free excitons in m- and c-plane GaN substrates in a low temperature range from 4 K to 40 K. The main luminescence features of all of the three kinds of excitons can be well described by the theoretical models that take exciton-LO-phonon coupling into account. The effective Bohr radii of the excitons play a key role in determining the Huang-Rhys factor characterizing the exciton-LO-phonon coupling strength in GaN. An interesting oscillatory structure is found to appear in the low-temperature luminescence spectra of the nonpolar-plane GaN substrate, which needs to be clarified by further investigations.

  2. Morphology and composition controlled growth of polar c-axis and nonpolar m-axis well-aligned ternary III-nitride nanotube arrays

    Science.gov (United States)

    Li, Huijie; Zhao, Guijuan; Kong, Susu; Han, Dongyue; Wei, Hongyuan; Wang, Lianshan; Chen, Zhen; Yang, Shaoyan

    2015-10-01

    Control over the nanostructure morphology and growth orientation is in high demand for fundamental research and technological applications. Herein we report a general strategy to fabricate polar c-axis and nonpolar m-axis well-aligned III-nitride ternary nanotube arrays with controllable morphologies and compositions. By depositing AlN on the InN nanorod array templates and thermally removing the InN templates, InAlN nanotubes can be obtained. Polar c-axis and nonpolar m-axis nanotubes were formed on the c- and r-plane sapphire substrates, respectively. The nanotubes are single crystalline and highly ordered on the substrates, as revealed by X-ray diffraction, electron microscopy, and selected area electron microscopy characterization. It was found that the In droplets on top of the InN nanorods play a critical role in controlling the morphology of the nanotubes. By keeping or removing the In droplets, the obtained nanotubes exhibited both ends open or only one end open. And by varying the AlN deposition temperature, the In composition in the nanotubes can be changed from 0 to 0.29. The nanotube synthesis method is simple and can be applied to the formation of other III-nitride ternary (InGaN, and AlGaN) or quaternary (InAlGaN) alloy nanotube arrays.Control over the nanostructure morphology and growth orientation is in high demand for fundamental research and technological applications. Herein we report a general strategy to fabricate polar c-axis and nonpolar m-axis well-aligned III-nitride ternary nanotube arrays with controllable morphologies and compositions. By depositing AlN on the InN nanorod array templates and thermally removing the InN templates, InAlN nanotubes can be obtained. Polar c-axis and nonpolar m-axis nanotubes were formed on the c- and r-plane sapphire substrates, respectively. The nanotubes are single crystalline and highly ordered on the substrates, as revealed by X-ray diffraction, electron microscopy, and selected area electron microscopy

  3. Growth of polar and non-polar nitride semiconductor quasi-substrates by hydride vapor phase epitaxy for the development of optoelectronic devices by molecular beam epitaxy

    Science.gov (United States)

    Moldawer, Adam Lyle

    The family of nitride semiconductors has had a profound influence on the development of optoelectronics for a large variety of applications. However, as of yet there are no native substrates commercially available that are grown by liquid phase methods as with Si and GaAs. As a result, the majority of electronic and optoelectronic devices are grown heteroepitaxially on sapphire and SiC. This PhD research addresses both the development of polar and non-polar GaN and AIN templates by Hydride Vapor Phase Epitaxy (HVPE) on sapphire and SiC substrates, as well as the growth and characterization of optoelectronic devices on these templates by molecular beam epitaxy (MBE). Polar and non-polar GaN templates have been grown in a vertical HVPE reactor on the C- and R-planes of sapphire respectively. The growth conditions have been optimized to allow the formation for thick (50um) GaN templates without cracks. These templates were characterized structurally by studying their surface morphologies by SEM and AFM, and their structure through XRD and TEM. The polar C-plane GaN templates were found to be atomically smooth. However, the surface morphology of the non-polar GaN films grown on the R-plane of sapphire were found to have a facetted surface morphology, with the facets intersecting at 120° angles. This surface morphology reflects an equilibrium growth, since the A-plane of GaN grows faster than the M-planes of GaN due to the lower atomic density of the plane. For the development of deep-UV optoelectronics, it is required to grow AIGaN quantum wells on AIN templates. However, since AIN is a high melting point material, such templates have to be grown at higher temperatures, close to half the melting point of the material (1500 °C). As these temperatures cannot be easily obtained by traditional furnace heating, an HVPE reactor has been designed to heat the substrate inductively to these temperatures. This apparatus has been used to grow high-quality, transparent AIN films

  4. Doping dependent blue shift and linewidth broadening of intersubband absorption in non-polar m-plane AlGaN/GaN multiple quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Kotani, Teruhisa, E-mail: tkotani@iis.u-tokyo.ac.jp [Institute for Nano Quantum Information Electronics, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Advanced Technology Research Laboratories, Sharp Corporation, 2613-1 Ichinomoto-cho, Tenri, Nara 632-8567 (Japan); Arita, Munetaka [Institute for Nano Quantum Information Electronics, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Arakawa, Yasuhiko [Institute for Nano Quantum Information Electronics, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan)

    2015-09-14

    Blue shift and broadening of the absorption spectra of mid-infrared intersubband transition in non-polar m-plane AlGaN/GaN 10 quantum wells were observed with increasing doping density. As the doping density was increased from 6.6 × 10{sup 11} to 6.0 × 10{sup 12 }cm{sup −2} per a quantum well, the intersubband absorption peak energy shifted from 274.0 meV to 302.9 meV, and the full width at half maximum increased from 56.4 meV to 112.4 meV. Theoretical calculations reveal that the blue shift is due to many body effects, and the intersubband linewidth in doped AlGaN/GaN QW is mainly determined by scattering due to interface roughness, LO phonons, and ionized impurities.

  5. Forensic fingerprinting of oil-spill hydrocarbons in a methanogenic environment-Mandan, ND and Bemidji, MN

    Science.gov (United States)

    Hostettler, F.D.; Wang, Y.; Huang, Y.; Cao, W.; Bekins, B.A.; Rostad, C.E.; Kulpa, C.F.; Laursen, A.

    2007-01-01

    In recent decades forensic fingerprinting of oil-spill hydrocarbons has emerged as an important tool for correlating oils and for evaluating their source and character. Two long-term hydrocarbon spills, an off-road diesel spill (Mandan, ND) and a crude oil spill (Bemidji, MN) experiencing methanogenic biodegradation were previously shown to be undergoing an unexpected progression of homologous n-alkane and n-alkylated cyclohexane loss. Both exhibited degradative losses proceeding from the high-molecular-weight end of the distributions, along with transitory concentration increases of lower-molecular-weight homologs. Particularly in the case of the diesel fuel spill, these methanogenic degradative patterns can result in series distributions that mimic lower cut refinery fuels or admixture with lower cut fuels. Forensic fingerprinting in this long-term spill must therefore rely on more recalcitrant series, such as polycyclic aromatic hydrocarbon or drimane sesquiterpane profiles, to prove if the spilled oil is single-sourced or whether there is verifiable admixture with other extraneous refinery fuels. Degradation processes impacting n-alkanes and n-alkylated ring compounds, which make these compounds unsuitable for fingerprinting, nevertheless are of interest in understanding methanogenic biodegradation. Copyright ?? Taylor & Francis Group, LLC.

  6. Microalgae based biorefinery: evaluation of oil extraction methods in terms of efficiency, costs, toxicity and energy in lab-scale

    Directory of Open Access Journals (Sweden)

    Ángel Darío González-Delgado

    2013-06-01

    Full Text Available Several alternatives of microalgal metabolites extraction and transformation are being studied for achieving the total utilization of this energy crop of great interest worldwide. Microalgae oil extraction is a key stage in microalgal biodiesel production chains and their efficiency affects significantly the global process efficiency. In this study, a comparison of five oil extraction methods in lab-scale was made taking as additional parameters, besides extraction efficiency, the costs of method performing, energy requirements, and toxicity of solvents used, in order to elucidate the convenience of their incorporation to a microalgae-based topology of biorefinery. Methods analyzed were Solvent extraction assisted with high speed homogenization (SHE, Continuous reflux solvent extraction (CSE, Hexane based extraction (HBE, Cyclohexane based extraction (CBE and Ethanol-hexane extraction (EHE, for this evaluation were used the microalgae strains Nannochloropsis sp., Guinardia sp., Closterium sp., Amphiprora sp. and Navicula sp., obtained from a Colombian microalgae bioprospecting. In addition, morphological response of strains to oil extraction methods was also evaluated by optic microscopy. Results shows that although there is not a unique oil extraction method which excels in all parameters evaluated, CSE, SHE and HBE appears as promising alternatives, while HBE method is shown as the more convenient for using in lab-scale and potentially scalable for implementation in a microalgae based biorefinery

  7. Bitumen recovery from oil sands using deep eutectic solvent and its aqueous solutions

    Science.gov (United States)

    Pulati, Nuerxida

    Oil sands compose a significant proportion of the world's known oil reserves. Oil sands are also known as tar sands and bituminous sands, are complex mixtures of sand, clays, water and bitumen, which is "heavy" and highly viscous oil. The extraction and separation of bitumen from oil sands requires significant amount of energy and large quantities of water and poses several environmental challenges. Bitumen can be successfully separated from oil sands using imidazolium based ionic liquids and nonpolar solvents, however, ionic liquids are expensive and toxic. In this thesis, the ionic liquid alternatives- deep eutectic solvent, were investigated. Oil sands separation can be successfully achieved by using deep eutectic solvents DES (choline chloride and urea) and nonpolar solvent naphtha in different types of oil sands, including Canadian ("water-wet"), Utah ("oil-wet") and low grade Kentucky oil sands. The separation quality depends on oil sands type, including bitumen and fine content, and separation condition, such as solvent ratio, temperature, mixing time and mechanical centrifuge. This separation claims to the DES ability to form ion /charge layering on mineral surface, which results in reduction of adhesion forces between bitumen and minerals and promote their separation. Addition of water to DES can reduce DES viscosity. DES water mixture as a media, oil sands separation can be achieved. However, concentration at about 50 % or higher might be required to obtain a clear separation. And the separation efficiency is oil sands sample dependent. The highest bitumen extraction yield happened at 75% DES-water solution for Utah oil sands samples, and at 50 60% DES-water solutions for Alberta oil sands samples. Force curves were measured using Atomic Force Microscopy new technique, PeakForce Tapping Quantitative Nanomechanical Mapping (PFTQNM). The results demonstrate that, by adding DES, the adhesion force between bitumen and silica and dissipation energy will

  8. An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides

    Energy Technology Data Exchange (ETDEWEB)

    Wang Ziming, E-mail: wangziming@jlu.edu.cn [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Zhao Xin; Xu Xu; Wu Lijie; Su Rui; Zhao Yajing; Jiang Chengfei; Zhang Hanqi [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Ma Qiang [Chinese Academy of Inspection and Quarantine, Beijing 100123 (China); Lu Chunmei [College of Technology Center, Jilin Entry-Exit Inspection and Quarantine Bureau, Changchun 130062 (China); Dong Deming [College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China)

    2013-01-14

    Highlights: Black-Right-Pointing-Pointer An absorbing microwave {mu}-SPE device packed with activated carbon was used. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to enrich the analytes. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to heat samples directly. Black-Right-Pointing-Pointer MAE-{mu}-SPE was applied to the extraction of OPPs with non-polar solvent only. - Abstract: A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction ({mu}-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave {mu}-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in {mu}-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave {mu}-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60 Degree-Sign C for 10 min. The extracts obtained by MAE-{mu}-SPE were directly analyzed by GC-MS without any clean-up process. The recoveries were in the range of 93.5-104.6%, and the relative standard deviations were lower than 8.7%.

  9. DEVELOPMENT OF SHALLOW VISCOUS OIL RESERVES IN NORTH SLOPE

    Energy Technology Data Exchange (ETDEWEB)

    Kishore K. Mohanty

    2004-12-01

    North Slope of Alaska has huge oil deposits in heavy oil reservoirs such as Ugnu, West Sak and Shrader Bluff etc. The viscosity of the last two reservoir oils vary from {approx}30 cp to {approx}3000 cp and the amount in the range of 10-20 billion barrels. High oil viscosity and low formation strength impose problems to high recovery and well productivity. Water-alternate-gas injection processes can be effective for the lower viscosity end of these deposits in West Sak and Shrader Bluff. Several gas streams are available in the North Slope containing NGL and CO{sub 2} (a greenhouse gas). The goal of this research is to develop tools to find optimum solvent, injection schedule and well-architecture for a WAG process in North Slope shallow sand viscous oil reservoirs. Coreflood, quarter 5-spot study, compositional simulation, wettability, relative permeability study and streamline-based simulation were conducted in this project. 1D compositional simulation results agree reasonably well with those of the slim tube experiments. Injection of CO{sub 2}-NGL is preferable over that of PBG-NGL. MME is sensitive to pressure (in the range of 1300-1800 psi) for the injection of PBG-NGL, but not for CO{sub 2}-NGL. Three hydrocarbon phases form in this pressure range. As the mean thickness of the adsorbed organic layer on minerals increases, the oil-water contact angle increases. The adsorbed organic films left behind after extraction of oil by common aromatic solvents used in core studies, such as toluene and decalin, are thinner than those left behind by non-aromatic solvents, such as cyclohexane. The force of adhesion for minerals aged with just the asphaltene fraction is similar to that of the whole oil implying that asphaltenes are responsible for the mixed-wettability in this reservoir. A new relative permeability model for a four-phase, mixed-wet system has been proposed. A streamline module is developed which can be incorporated in an existing finite-difference based

  10. Correlation and prediction of the phase behavior and thermal properties of binary and ternary systems of 2,2′-oxybis[propane] + benzene, toluene, cyclohexane or n-heptane

    Energy Technology Data Exchange (ETDEWEB)

    Didaoui, Saéda, E-mail: sdidaoui@hotmail.com [Laboratoire de thermodynamique et de modélisation moléculaire, Faculté de chimie, Université des Sciences et de la Technologie Houari Boumediene B.P.32, El-Alia Bab-Ezzouar 16111 Alger (Algeria); Ait-Kaci, Ahmed [Laboratoire de thermodynamique et de modélisation moléculaire, Faculté de chimie, Université des Sciences et de la Technologie Houari Boumediene B.P.32, El-Alia Bab-Ezzouar 16111 Alger (Algeria)

    2013-09-10

    Highlights: ► To provide original data of excess enthalpies of systems containing additive gasoline. ► To predict excess functions using statistical model. ► To examine the thermal behavior of ethers with hydrocarbons using theoretical models. ► Increasing information of thermodynamic behavior will increase quality of the fuel and economy. - Abstract: The experimental excess molar enthalpies data of liquid binary and ternary mixtures of DIPE with benzene, toluene, cyclohexane and n-heptane have been measured at 303.15 K and constant pressure using a Calvet type microcalorimeter, C80 (Setaram, France). A Redlich–Kister type equation was used to correlate experimental values. The theoretical results obtained by the DISQUAC model are significantly closer to the experimental values.

  11. Synthesis, structural characterization, thermal and electrochemical studies of the N,N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine and its Cu(II), Co(II) and Ni(II) metal complexes.

    Science.gov (United States)

    Dolaz, Mustafa; McKee, Vickie; Gölcü, Ayşegül; Tümer, Mehmet

    2009-01-01

    In this study, N,N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine (L) and its Cu(II), Co(II) and Ni(II) complexes were prepared and characterized by the analytical and spectroscopic methods. The analytical data show the composition of the metal complex to be [M(2)L(Cl)(4)(H(2)O)(2)], where L is the Schiff base ligand. The conductance data indicate that all the complexes are non-electrolytes. The compound (L) behaves as a monodentate ligand. But, obtained complexes have binuclear nature. The electrochemical properties of the metal complexes are dependent on reversible, irreversible and quasi-reversible redox waves in the anodic and cathodic regions due to oxidation and reduction of the metal ions. The single crystal of the ligand (L) was obtained from CH(3)CN solution. Space group and crystal system of the ligand are P2(1)/C and monoclinic, respectively.

  12. Mise en évidence d'états excités dans les spectres de photoionisation du cyclohexane et du diméthyl 2-2-butane liquides

    OpenAIRE

    Casanovas, J.; Guelfucci, J.; Caselles, O.

    1991-01-01

    L'existence d'états excités dans le processus de photoionisation VUV des hydrocarbures en phase liquide - précédemment suggérée par l'observation de la loi de Stern-Volmer lors de l'interaction avec des capteurs d'électrons - est ici détectée en traçant le spectre de photoionisation VUV du cyclohexane et du diméthyl-2-2-butane purs en phase liquide. Certains des pics observés coïncident avec les états de valence et de Rydberg de ces mêmes corps en phase gaz. Il apparaît des pics supplémentair...

  13. Synthèse du mélange cyclohexanol-cyclohexanone par oxydation du cyclohexane par les hydroperoxydes en présence de métaux supportés sur oxydes métalliques.

    OpenAIRE

    REKKAB-nee-HAMMOUMRAOUI, Ilhem

    2014-01-01

    L’objectif de ce travail a été axé sur la préparation des catalyseurs à base de différents métaux (Ru, Pt et Co) supportés sur des oxydes métalliques (Al2O3, TiO2, SiO2, ZrO2, CeO2, Fe2O3 et MgO). Leurs performances ont été par la suite évaluées en oxydation du cyclohexane par l’hydroperoxyde de tertiobutyle (TBHP) en phase liquide. Ces catalyseurs ont été caractérisés par différentes techniques : Mesure de surface par BET, IR de la thermodésorption de la pyridine pour estimer l’a...

  14. Evaluation of PAH depletion of subsurface Exxon Valdez oil residues remaining in Prince William Sound in 2007-2008 and their likely bioremediation potential

    Energy Technology Data Exchange (ETDEWEB)

    Atlas, R. [Louisville Univ., Louisville, KY (United States); Bragg, J.R. [Creative Petroleum Solutions LLC, Houston, TX (United States)

    2009-07-01

    This study examined the extent of oil weathering at the Exxon Valdez oil spill (EVOS) sites and estimated the bioremediation potential for shoreline segments by examining the depletion of total polycyclic aromatic hydrocarbons (PAHs) relative to an estimated applicability threshold of 70 per cent. The distribution of oil was examined by location and current ratios of nitrogen and non-polar oil in order to assess if biodegradation rates were nutrient-limited. The impact of sequestration on the effectiveness of bioremediation was also studied. Results of the study showed that the EVOS residues are patchy and infrequently found on sites that were heavily oiled in 1989. Only 0.4 per cent of the oil originally stranded in 1989 remained. The remaining EVOS residues are sequestered under boulder and cobble armour in areas with limited contact with flowing water. The study also showed that concentrations of nitrogen and dissolved oxygen in pore waters within strata adjacent to the sequestered oil can support biodegradation. Most remaining EVOS residues are highly weathered and biodegraded. It was concluded that nutrients added to the shorelines are unlikely to effectively contact the sequestered oil. 31 refs., 2 tabs., 14 figs.

  15. Mexican oil industry: Shifting to difficult oil

    Energy Technology Data Exchange (ETDEWEB)

    Bazan G., Gerardo; Gonzalez, Cristobal J.

    2010-09-15

    Mexico has stepped into an important transition of declining oil fields and new challenging oil projects. The aim of this paper is to show a new perspective of the oil resources that have been exploited throughout the Mexican territory, as well as the remaining resources yet to be exploited. We have developed a resources/production-costs chart that illustrates the historical and future development of the Mexican oil industry, showing the shift that the industry will face in the coming years; this chart was taken from a model already in use by the most prestige energy agencies in the world.

  16. Rotational Diffusion of Nonpolar and Ionic Solutes in 1-Alkyl-3-methylimidazolium Tetrafluoroborate-LiBF4 Mixtures: Does the Electrolyte Induce the Structure-Making or Structure-Breaking Effect?

    Science.gov (United States)

    Prabhu, Sugosh R; Dutt, G B

    2015-12-03

    Rotational diffusion of three structurally similar solutes, 9-phenylanthracene (9-PA), fluorescein (FL), and rhodamine 110 (R110), has been investigated in 1-butyl-3-methylimidazolium tetrafluoroborate-lithium tetrafluoroborate ([BMIM][BF4]-LiBF4) mixtures to understand the influence of the added electrolyte on the mobility of nonpolar, anionic, and cationic solute molecules. It has been observed that the reorientation times of the nonpolar solute 9-PA become progressively shorter with an increase in the concentration of LiBF4 at a given viscosity (η) and temperature (T). In the case of ionic solutes also, a decrease in the reorientation times has been observed upon the addition of the electrolyte compared to those obtained in the neat ionic liquid at a given η/T. However, this decrease is found to be independent of [LiBF4]. 9-PA being a nonpolar solute is located in the nonpolar domains of the ionic liquid. An enhancement in [LiBF4] leads to an increase in the sizes of the nonpolar domains resulting in the faster rotation of the solute. Anionic solute FL and cationic solute R110, which are located in the ionic region experience specific interactions with the cation and anion of the ionic liquid, respectively. In the presence of electrolyte, however, the strengths of these specific interactions diminish as the ions of the ionic liquid are not readily accessible to the solute molecules due to the organized structure, which results in faster rotation. These observations suggest that addition of LiBF4 induces a structure-making effect in the ionic liquid.

  17. SUITABILITY OF SOYBEAN SEED OIL AS TRANSFORMER OIL

    OpenAIRE

    Egbuna, S.O.*, Ude, O.C., Ude, C.N.

    2016-01-01

    In search of solution to the harmful ecological problems due to toxicity and non-biodegradability posed by conventional transformer insulation oil (mineral oil), the production of transformer oil from soybean seed oil (vegetable oil) was carried out. The oil was extracted using n-hexane and was refined. The transformer oil was produced by transesterification and was characterized using American Society for Testing Material (ASTM) standard test. The solvent employed gave good yield of oil from...

  18. Essential Oils Composition and Antioxidant Properties of Three Thymus Species

    Directory of Open Access Journals (Sweden)

    Hamzeh Amiri

    2012-01-01

    Full Text Available The essential oils of three wild-growing Thymus species, collected from west of Iran during the flowering stage, were obtained by hydrodistillation and analyzed by gas chromatography (GC and gas chromatography/mass spectrometry (GC-MS. Under the optimum extraction and analysis conditions, 44, 38, and 38 constituents (mainly monoterpenes compounds were identified in T. kotschyanus Boiss. and Hohen, T. eriocalyx (Ronniger Jalas, and T. daenensis subsp lancifolius (Celak Jalas which represented 89.9%, 99.7%, and 95.8% of the oils, respectively. The main constituents were thymol (16.4–42.6%, carvacrol (7.6–52.3%, and γ-terpinene (3–11.4%. Antioxidant activity was employed by two complementary test systems, namely, 2,2-diphenyl-1-picrylhydrazyl (DPPH free-radical scavenging and β-carotene/linoleic acid systems. Antioxidant activity of polar subfraction of T. daenensis subsp lancifolius (Celak Jalas was found to be higher than those of the others in DPPH assay, while nonpolar subfraction of T. eriocalyx (Ronniger Jalas has most antioxidant activity in β-carotene/linoleic acid test (19.1±0.1 μg/mL and 96.1±0.8% inhibition rate, resp..

  19. Modeling of Microwave Reflection from the Surface of Water Basins with Spills of Water-Cut Oil

    Science.gov (United States)

    Krotikov, V. D.; Pelushenko, S. A.; Rakut', I. V.; Savelyev, V. Yu.

    2015-06-01

    We consider specific features of reflection of microwaves from the surface of a water basin for the two-layer model of oil spills, which are determined by a water-cut-oil film. Within the spill model, the dielectric properties of water were allowed for in accordance with the Debye theory, and the dielectric properties of the water-cut oil, in accordance with the theory developed for binary systems. The data about variations in the values of reflection coefficients depending on the frequency, viewing angle, thickness of the oil film, and moisture content in the film are obtained. The dependences of reflection coefficients on the film thickness are determined for various values of volume content of the water fraction in oil. Complex values of the dielectric permittivity of oil-water emulsions with preset volume moisture content are found. Describing the obtained dependences of the complex dielectric permittivity of the emulsion on the volume moisture content requires application of asymmetrical formulas for the mixture of polar and nonpolar fluids.

  20. HEAVY OIL DEVELOPMENT KEY TO CHINA'S OIL PRODUCTION GROWTH

    Institute of Scientific and Technical Information of China (English)

    Ma Chunpeng

    2006-01-01

    @@ How to raise the heavy oil production rate has long been a difficult research project focused by international oil giants while the super-heavy oil development is particularly a world-class bottleneck for many oil producers. However, China's main oil companies will give priority to heavy oil exploration and production in the next decade to meet China's increasing energy needs.

  1. efficacy of olive oil, groundnut oil, soybean oil and palm kernel oil in ...

    African Journals Online (AJOL)

    AGROSEARCH UIL

    Although food grains are commonly protected by insecticidal application and fumigation, ... (1978) reported that groundnut oil applied to cowpeas has no effect on mortality or .... Effectiveness of vegetable oil fractions in controlling the Mexican.

  2. China Aviation Oil Acquires Overseas Oil Company

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    @@ China Aviation Oil (Singapore) announced an acquisition of a 20.6 percent stake in Singapore Petroleum Company (SPC) from Satya Capital Inc Ltd, the largest investment the company has ever made in its history. China Aviation Oil (Singapore),which is the largest Chinese enterprise Singapore,will become the second largest shareholder of SPC after the acquisition.

  3. Oil Module Working Paper

    Science.gov (United States)

    1973-12-01

    in any a^regate sense, or (b) to be "valid" for crude oil production in all countries. Neither, however, is it to provide detailed point... oil production by the oil companies through their regular channels. Such oil is said to be "sold back" by the countries to the coirpanies...a royalty to the producing country government. revenue received by the producing country government as a result of sales of its share of crude

  4. Indonesia's palm oil subsector

    OpenAIRE

    Larson, Donald F.

    1996-01-01

    Debate on Indonesia's palm oil policy was stimulated by a sharp increase in cooking oil prices in 1994-95 and a resulting increase in the export tax rate on crude palm oil. Palm oil has been one of the fastest growing subsectors in Indonesia. Using a quantitative model, the author analyzes the effect of government policies, including the export tax, buffer stock operations by the BULOG (the national logistics agency), and directed sales from public estates. The author acknowledges the export ...

  5. Soluble oil cutting fluid

    Energy Technology Data Exchange (ETDEWEB)

    Rawlinson, A.P.; White, J.

    1987-06-23

    A soluble oil, suitable when diluted with water, for use as a cutting fluid comprises an alkali or alkaline-earth metal alkyl benzene sulphonate, a fatty acid diethanolamide, a mixed alkanolamine borate, a polyisobutenesuccinimide and a major proportion of mineral oil. The soluble oil is relatively stable without the need for a conventional coupling agent and some soluble oil emulsions are bio-static even though conventional biocides are not included.

  6. Oil Spill Cleanup

    Science.gov (United States)

    Kauble, Christena Ann

    2011-01-01

    Several classroom activities using a model of a seashore and an oil spill demonstrate the basic properties of oil spills in oceans. Students brainstorm about how to best clean up the mess. They work in teams, and after agreeing on how they will proceed, their method is tested by measuring the amount of oil removed and by rating the cleanliness of…

  7. Natural oils as lubricants

    Science.gov (United States)

    There is currently an availability of vegetable oil lubricants, with the exception of engine oils. Vegetable oils are environmentally friendly, renewable, contribute to the reduction of our dependence on imported petroleum, and add value to the farmer. However, there are inherent weaknesses in veg...

  8. Oil Spill Response Manual

    NARCIS (Netherlands)

    Marieke Zeinstra; Sandra Heins; Wierd Koops

    2014-01-01

    A two year programme has been carried out by the NHL University of Applied Sciences together with private companies in the field of oil and chemical spill response to finalize these manuals on oil and chemical spill response. These manuals give a good overview of all aspects of oil and chemical

  9. OIL AS POLITICAL WEAPON

    Directory of Open Access Journals (Sweden)

    Mariana, BUICAN

    2013-12-01

    Full Text Available Oil (called by some black gold has not always been as coveted and used, but only in the last hundred years has established itself as a highly sought after as an indispensable proper functioning of modern economic activity that an important factor in international politics. International oil regime has changed in the last decades. In 1960, oil regime was a private oligopol which had links with governments main consuming countries. By then the price of a barrel of oil was two U.S. dollars and seven major transnational oil companies decided the amount of oil that will be produced. Meanwhile the world region with the largest oil exports were more strongly expressed nationalism and decolonization. Result, it was so in the late 60s in the region occur independent states. They have created an organization aim of this resource to their advantage - OPEC (Organization of Petroleum Exporting Countries. Thus since 1973 there have been changes in the international regime governing oil field, namely producing countries were fixed production rate and price. After this time the oil weapon has become increasingly important in the management of international relations. Oil influenced the great powers to Middle East conflicts that occurred in the last century, but their attitude about the emergence of new sources of oil outside OPEC. In the late 90's, Russia has become a major supplier of oil to the West.

  10. Oil Spill Cleanup

    Science.gov (United States)

    Kauble, Christena Ann

    2011-01-01

    Several classroom activities using a model of a seashore and an oil spill demonstrate the basic properties of oil spills in oceans. Students brainstorm about how to best clean up the mess. They work in teams, and after agreeing on how they will proceed, their method is tested by measuring the amount of oil removed and by rating the cleanliness of…

  11. Lubricating oil; Junkatsuyu

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, H.

    1999-07-20

    As a reflection of business recession, sales amount of lubricating oils in 1998 in Japan was 2.334 million kl that is 96.1% of that in the previous year. In addition, export amount was 394 thousand kl that also decreased sharply to 81.9% of that in the previous year. In this situation, researches and developments of environment-adaptable lubricating oils such as fuel consumption-saving engine oils, new mechanism-corresponding drive system oils (AFT, CVT), refrigerating machine oils for substitute coolants, biodegradable oils and greases, environment corresponding processing oils (non-chlorine type cutting oils), and so on have been executed actively. In respect to lubricating oils for vehicles, numerous researches and developments of engine oils are executed while putting stress on the improvement of fuel consumption saving for reducing CO{sub 2} exhaust; improvement of adaptability to exhaust treating apparatus for purging harmful components from exhaust gas; and environmental corresponding of long drain for reducing waste oils. In respect to lubricating oils for industry, basic characteristics and utility characteristics of fire-resistant working fluids and biodegradable working fluids; and utility characteristics of new functional fluids and electric viscous fluids are reported in view of their relationship with environmental protection. (NEDO)

  12. The changes of oil palm roots cell wall lipids during pathogenesis of Ganoderma boninense

    Science.gov (United States)

    Alexander, A.; Dayou, J.; Abdullah, S.; Chong, K. P.

    2017-07-01

    One of the first physical defences of plants against fungal infection is their cell wall. Interaction between combinations of metabolism enzymes known as the “weapons” of pathogen and the host cell wall probably determines the fate of possible invasion of the pathogen in the host. The present work aims to study the biochemical changes of cell wall lipids of oil palm roots and to determine novel information on root cell wall composition during pathogenesis of Ganoderma boninense by using Gas Chromatography Mass Spectrometry. Based on Total Ion Chromatogram analysis, 67 compounds were found more abundant in the roots infected with G. boninense compared to the healthy roots (60 compounds). Interestingly, nine new compounds were identified from the cell wall lipids of roots infected with G. boninense. These includes Cyclohexane, 1,2-dimethyl-, Methyl 2-hydroxy 16-methyl-heptadecanoate, 2-Propenoic acid, methyl ester, Methyl 9-oxohexacosanoate, 5-[(3,7,11,15-Tetramethylhexadecyl)oxy]thiophene-2carboxylic acid, Ergosta-5,7,22,24(28)-tetraen-3beta-ol, 7-Hydroxy-3',4'-methylenedioxyflavan, Glycine and (S)-4'-Hydroxy-4-methoxydalbergione, this may involve as response to pathogen invasion. This paper provides an original comparative lipidomic analysis of oil palm roots cell wall lipids in plant defence during pathogenesis of G. boninense.

  13. Utah Heavy Oil Program

    Energy Technology Data Exchange (ETDEWEB)

    J. Bauman; S. Burian; M. Deo; E. Eddings; R. Gani; R. Goel; C.K. Huang; M. Hogue; R. Keiter; L. Li; J. Ruple; T. Ring; P. Rose; M. Skliar; P.J. Smith; J.P. Spinti; P. Tiwari; J. Wilkey; K. Uchitel

    2009-10-20

    The Utah Heavy Oil Program (UHOP) was established in June 2006 to provide multidisciplinary research support to federal and state constituents for addressing the wide-ranging issues surrounding the creation of an industry for unconventional oil production in the United States. Additionally, UHOP was to serve as an on-going source of unbiased information to the nation surrounding technical, economic, legal and environmental aspects of developing heavy oil, oil sands, and oil shale resources. UHOP fulGilled its role by completing three tasks. First, in response to the Energy Policy Act of 2005 Section 369(p), UHOP published an update report to the 1987 technical and economic assessment of domestic heavy oil resources that was prepared by the Interstate Oil and Gas Compact Commission. The UHOP report, entitled 'A Technical, Economic, and Legal Assessment of North American Heavy Oil, Oil Sands, and Oil Shale Resources' was published in electronic and hard copy form in October 2007. Second, UHOP developed of a comprehensive, publicly accessible online repository of unconventional oil resources in North America based on the DSpace software platform. An interactive map was also developed as a source of geospatial information and as a means to interact with the repository from a geospatial setting. All documents uploaded to the repository are fully searchable by author, title, and keywords. Third, UHOP sponsored Give research projects related to unconventional fuels development. Two projects looked at issues associated with oil shale production, including oil shale pyrolysis kinetics, resource heterogeneity, and reservoir simulation. One project evaluated in situ production from Utah oil sands. Another project focused on water availability and produced water treatments. The last project considered commercial oil shale leasing from a policy, environmental, and economic perspective.

  14. Influence of Chemical Composition on Microbial Communities in Deep Water Plumes After the Deepwater Horizon Oil Spill

    Science.gov (United States)

    Redmond, M. C.; Valentine, D. L.

    2012-12-01

    After the Deepwater Horizon oil spill, large amounts of natural gas and oil remained dissolved or suspended in the deep Gulf of Mexico. These deep water plumes were preferentially enriched in soluble hydrocarbons, including methane, ethane, propane, cyclohexane, benzene, toluene, and xylenes. Microbial communities responded rapidly to the influx of hydrocarbons, and were initially dominated by a novel group of Oceanospirillales. As the summer progressed, Colwellia and Cycloclasticus became more abundant, followed by an increase in methanotrophs and methylotrophs. DNA stable isotope probing experiments showed that Colwellia spp. were the primary bacteria assimilating carbon from ethane and propane, suggesting that the presence of natural gas had a significant effect on the microbes that responded to the spill. Additional incubation experiments suggested that Colwellia could also consume benzene and other hydrocarbons in crude oil, but it was unclear whether the presence of natural gas stimulated or inhibited the consumption of other hydrocarbons. In order to determine the effect of natural gas on microbial community composition and the degradation of petroleum hydrocarbons, we conducted a series of incubation experiments with seawater from the deep Gulf of Mexico. We also conducted experiments to determine the effect of individual hydrocarbon compounds on the microbial community response. We will present results from both sets of experiments.

  15. Oil shale commercialization study

    Energy Technology Data Exchange (ETDEWEB)

    Warner, M.M.

    1981-09-01

    Ninety four possible oil shale sections in southern Idaho were located and chemically analyzed. Sixty-two of these shales show good promise of possible oil and probable gas potential. Sixty of the potential oil and gas shales represent the Succor Creek Formation of Miocene age in southwestern Idaho. Two of the shales represent Cretaceous formations in eastern Idaho, which should be further investigated to determine their realistic value and areal extent. Samples of the older Mesozonic and paleozoic sections show promise but have not been chemically analyzed and will need greater attention to determine their potential. Geothermal resources are of high potential in Idaho and are important to oil shale prospects. Geothermal conditions raise the geothermal gradient and act as maturing agents to oil shale. They also might be used in the retorting and refining processes. Oil shales at the surface, which appear to have good oil or gas potential should have much higher potential at depth where the geothermal gradient is high. Samples from deep petroleum exploration wells indicate that the succor Creek shales have undergone considerable maturation with depth of burial and should produce gas and possibly oil. Most of Idaho's shales that have been analyzed have a greater potential for gas than for oil but some oil potential is indicated. The Miocene shales of the Succor Creek Formation should be considered as gas and possibly oil source material for the future when technology has been perfectes. 11 refs.

  16. Cathodoluminescence study of Mg activation in non-polar and semi-polar faces of undoped/Mg-doped GaN core-shell nanorods

    Science.gov (United States)

    Hortelano, V.; Martínez, O.; Cuscó, R.; Artús, L.; Jiménez, J.

    2016-03-01

    Spectrally and spatially resolved cathodoluminescence (CL) measurements were carried out at 80 K on undoped/Mg-doped GaN core-shell nanorods grown by selective area growth metalorganic vapor phase epitaxy in order to investigate locally the optical activity of the Mg dopants. A study of the luminescence emission distribution over the different regions of the nanorods is presented. We have investigated the CL fingerprints of the Mg incorporation into the non-polar lateral prismatic facets and the semi-polar facets of the pyramidal tips. The amount of Mg incorporation/activation was varied by using several Mg/Ga flow ratios and post-growth annealing treatment. For lower Mg/Ga flow ratios, the annealed nanorods clearly display a donor-acceptor pair band emission peaking at 3.26-3.27 eV and up to 4 LO phonon replicas, which can be considered as a reliable indicator of effective p-type Mg doping in the nanorod shell. For higher Mg/Ga flow ratios, a substantial enhancement of the yellow luminescence emission as well as several emission subbands are observed, which suggests an increase of disorder and the presence of defects as a consequence of the excess Mg doping.

  17. B3LYP periodic study of the physicochemical properties of the nonpolar (010) Mg-pure and fe-containing olivine surfaces.

    Science.gov (United States)

    Navarro-Ruiz, Javier; Ugliengo, Piero; Rimola, Albert; Sodupe, Mariona

    2014-08-07

    B3LYP periodic simulations have been carried out to study some physicochemical properties of the bulk structures and the corresponding nonpolar (010) surfaces of Mg-pure and Fe-containing olivine systems; i.e., Mg2SiO4 (Fo) and Mg1.5Fe0.5SiO4 (Fo75). A detailed structural analysis of the (010) Fo and Fo75 surface models shows the presence of coordinatively unsaturated metal cations (Mg(2+) and Fe(2+), respectively) with shorter metal-O distances compared to the bulk ones. Energetic analysis devoted to the Fe(2+) electronic spin configuration and to the ion position in the surfaces reveals that Fe(2+) in its quintet state and placed at the outermost positions of the slab constitutes the most stable Fe-containing surface, which is related to the higher stability of high spin states when Fe(2+) is coordinatively unsaturated. Comparison of the simulated IR and the corresponding reflectance spectra indicates that Fe(2+) substitution induces an overall bathochromic shift of the spectra due to the larger mass of Fe compared to Mg cation. In contrast, the IR spectra of the surfaces are shifted to upper values and exhibit more bands compared to the corresponding bulk systems due to the shorter metal-O distances given in the coordinatively unsaturated metals and to symmetry reduction which brings nonequivalent motions between the outermost and the internal modes, respectively.

  18. Groove-type channel enhancement-mode AlGaN/GaN MIS HEMT with combined polar and nonpolar AlGaN/GaN heterostructures

    Science.gov (United States)

    Duan, Xiao-Ling; Zhang, Jin-Cheng; Xiao, Ming; Zhao, Yi; Ning, Jing; Hao, Yue

    2016-08-01

    A novel groove-type channel enhancement-mode AlGaN/GaN MIS high electron mobility transistor (GTCE-HEMT) with a combined polar and nonpolar AlGaN/GaN heterostucture is presented. The device simulation shows a threshold voltage of 1.24 V, peak transconductance of 182 mS/mm, and subthreshold slope of 85 mV/dec, which are obtained by adjusting the device parameters. Interestingly, it is possible to control the threshold voltage accurately without precisely controlling the etching depth in fabrication by adopting this structure. Besides, the breakdown voltage (V B) is significantly increased by 78% in comparison with the value of the conventional MIS-HEMT. Moreover, the fabrication process of the novel device is entirely compatible with that of the conventional depletion-mode (D-mode) polar AlGaN/GaN HEMT. It presents a promising way to realize the switch application and the E/D-mode logic circuits. Project supported by the National Science and Technology Major Project, China (Grant No. 2013ZX02308-002) and the National Natural Science Foundation of China (Grant Nos. 11435010, 61474086, and 61404099).

  19. Structural and optical investigation of nonpolar a-plane GaN grown by metal-organic chemical vapour deposition on r-plane sapphire by neutron irradiation

    Institute of Scientific and Technical Information of China (English)

    Xu Sheng-Rui; Zhang Jin-Feng; Gu Wen-Ping; Hao Yue; Zhang Jin-Cheng; Zhou Xiao-Wei; Lin Zhi-Yu; Mao Wei

    2012-01-01

    Nonpolar (11(2)0) a-plane GaN films are grown by metal-organic chemical vapour deposition (MOCVD) on r-plane (1(1)02) sapphire.The samples are irradiated with neutrons under a dose of 1 × 1015 cm-2.The surface morphology,the crystal defects and the optical properties of the samples before and after irradiation are analysed using atomic force microscopy (AFM),high resolution X-ray diffraction (HRXRD) and photoluminescence (PL).The AFM result shows deteriorated sample surface after the irradiation.Careful fitting of the XRD rocking curve is carried out to obtain the Lorentzian weight fraction.Broadening due to Lorentzian type is more obvious in the as-grown sample compared with that of the irradiated sample,indicating that more point defects appear in the irradiated sample.The variations of line width and intensity of the PL band edge emission peak are consistent with the XRD results.The activation energy decreases from 82.5 meV to 29.9 meV after irradiation by neutron.

  20. Identifying important structural features of ionic liquid stationary phases for the selective separation of nonpolar analytes by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Zhang, Cheng; Ingram, Isaiah C; Hantao, Leandro W; Anderson, Jared L

    2015-03-20

    A series of dicationic ionic liquid (IL)-based stationary phases were evaluated as secondary columns in comprehensive two-dimensional gas chromatography (GC×GC) for the separation of aliphatic hydrocarbons from kerosene. In order to understand the role that structural features of ILs play on the selectivity of nonpolar analytes, the solvation parameter model was used to probe the solvation properties of the IL-based stationary phases. It was observed that room temperature ILs containing long free alkyl side chain substituents and long linker chains between the two cations possess less cohesive forces and exhibited the highest resolution of aliphatic hydrocarbons. The anion component of the IL did not contribute significantly to the overall separation, as similar selectivities toward aliphatic hydrocarbons were observed when examining ILs with identical cations and different anions. In an attempt to further examine the separation capabilities of the IL-based GC stationary phases, columns of the best performing stationary phases were prepared with higher film thickness and resulted in enhanced selectivity of aliphatic hydrocarbons.

  1. Uptake calibration of polymer-based passive samplers for monitoring priority and emerging organic non-polar pollutants in WWTP effluents.

    Science.gov (United States)

    Posada-Ureta, Oscar; Olivares, Maitane; Zatón, Leire; Delgado, Alejandra; Prieto, Ailette; Vallejo, Asier; Paschke, Albrecht; Etxebarria, Nestor

    2016-05-01

    The uptake calibration of more than 12 non-polar organic contaminants by 3 polymeric materials is shown: bare polydimetilsiloxane (PDMS, stir-bars), polyethersulfone tubes and membranes (PES) and polyoxymethylene membranes (POM), both in their free form and membrane-enclosed sorptive coating (MESCO). The calibration process was carried out exposing the samplers to a continuous flow of contaminated water at 100 ng mL(-1) for up to 28 days, and, consequently, the sampling rates (Rs, mL day(-1)) of several organic microcontaminants were provided for the first time. In situ Rs values were also determined disposing the samplers in the effluent of a wastewater treatment plant. Finally, these passive samplers were applied to monitor the effluents of two wastewater treatment plants. This application lead to the confirmation of the presence of galaxolide, tonalide and 4-tert-octylphenol at high ng mL(-1) levels, as well as the identification of compounds like some phthalates and alkylphenols at levels below the detection limits for active sampling methods.

  2. Iridium(I) complexes with anionic N-heterocyclic carbene ligands as catalysts for the hydrogenation of alkenes in nonpolar media.

    Science.gov (United States)

    Kolychev, Eugene L; Kronig, Sabrina; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G; Tamm, Matthias

    2013-08-21

    A series of lithium complexes of anionic N-heterocyclic carbenes that contain a weakly coordinating borate moiety (WCA-NHC) was prepared in one step from free N-heterocyclic carbenes by deprotonation with n-butyl lithium followed by borane addition. The reaction of the resulting lithium-carbene adducts with [M(COD)Cl]2 (M = Rh, Ir; COD = 1,5-cyclooctadiene) afforded zwitterionic rhodium(I) and iridium(I) complexes of the type [(WCA-NHC)M(COD)], in which the metal atoms exhibit an intramolecular interaction with the N-aryl groups of the carbene ligands. For M = Rh, the neutral complex [(WCA-NHC)Rh(CO)2] and the ate complex (NEt4)[(WCA-NHC)Rh(CO)2Cl] were prepared, with the latter allowing an assessment of the donor ability of the ligand by IR spectroscopy. The zwitterionic iridium-COD complexes were tested as catalysts for the homogeneous hydrogenation of alkenes, which can be performed in the presence of nonpolar solvents or in the neat alkene substrate. Thereby, the most active complex showed excellent stability and activity in hydrogenation of alkenes at low catalyst loadings (down to 10 ppm).

  3. Nonpolar resistive memory switching with all four possible resistive switching modes in amorphous LaHoO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Yogesh; Pavunny, Shojan P.; Katiyar, Ram S., E-mail: rkatiyar@hpcf.upr.edu [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00936-8377 (United States); Fachini, Esteban [General Studies College, University of Puerto Rico, San Juan, Puerto Rico 00931 (United States); Scott, James F. [Cavendish Laboratory, Department of Physics, University of Cambridge, Cambridge CB0 3HE (United Kingdom)

    2015-09-07

    We studied the resistive memory switching in pulsed laser deposited amorphous LaHoO{sub 3} (a-LHO) thin films for non-volatile resistive random access memory applications. Nonpolar resistive switching (RS) was achieved in Pt/a-LHO/Pt memory cells with all four possible RS modes (i.e., positive unipolar, positive bipolar, negative unipolar, and negative bipolar) having high R{sub ON}/R{sub OFF} ratios (in the range of ∼10{sup 4}–10{sup 5}) and non-overlapping switching voltages (set voltage, V{sub ON} ∼ ±3.6–4.2 V and reset voltage, V{sub OFF} ∼ ±1.3–1.6 V) with a small variation of about ±5–8%. Temperature dependent current-voltage (I–V) characteristics indicated the metallic conduction in low resistance states (LRS). We believe that the formation (set) and rupture (reset) of mixed conducting filaments formed out of oxygen vacancies and metallic Ho atoms could be responsible for the change in the resistance states of the memory cell. Detailed analysis of I–V characteristics further corroborated the formation of conductive nanofilaments based on metal-like (Ohmic) conduction in LRS. Simmons-Schottky emission was found to be the dominant charge transport mechanism in the high resistance state.

  4. Effect of the alkyl chain length on the rotational dynamics of nonpolar and dipolar solutes in a series of N-alkyl-N-methylmorpholinium ionic liquids.

    Science.gov (United States)

    Khara, Dinesh Chandra; Kumar, Jaini Praveen; Mondal, Navendu; Samanta, Anunay

    2013-05-01

    Rotational dynamics of two dipolar solutes, 4-aminophthalimide (AP) and 6-propionyl-2-dimethylaminonaphthalene (PRODAN), and a nonpolar solute, anthracene, have been studied in N-alkyl-N-methylmorpholinium (alkyl = ethyl, butyl, hexyl, and octyl) bis(trifluoromethansulfonyl)imide (Tf2N) ionic liquids as a function of temperature and excitation wavelength to probe the microheterogeneous nature of these ionic liquids, which are recently reported to be more structured than the imidazolium ionic liquids (Khara and Samanta, J. Phys. Chem. B2012, 116, 13430-13438). Analysis of the measured rotational time constants of the solutes in terms of the Stokes-Einstein-Debye (SED) hydrodynamic theory reveals that with increase in the alkyl chain length attached to the cationic component of the ionic liquids, AP shows stick to superstick behavior, PRODAN rotation lies between stick and slip boundary conditions, whereas anthracene exhibits slip to sub slip behavior. The contrasting rotational dynamics of these probe molecules is a reflection of their location in distinct environments of the ionic liquids thus demonstrating the heterogeneity of these ionic liquids. The microheterogeneity of these media, in particular, those with the long alkyl chain, is further evidence from the excitation wavelength dependence study of the rotational diffusion of the dipolar probe molecules.

  5. Giant tunneling electroresistance induced by ferroelectrically switchable two-dimensional electron gas at nonpolar BaTiO3/SrTiO3 interface

    Science.gov (United States)

    Wu, Qingyun; Shen, Lei; Yang, Ming; Zhou, Jun; Chen, Jingsheng; Feng, Yuan Ping

    2016-10-01

    Using first-principles calculations, we investigate the tunneling electroresistance (TER) of ferroelectric tunnel junctions [Pt /BaTiO3(BTO)/SrTiO3(STO )/Pt ]. It is found that the TER of Pt/BTO/STO/Pt junctions can be greatly increased with increasing thickness of STO layers. The underlying physics of this giant TER is the switchable two-dimensional electron gas (2DEG) at a nonpolar BTO/STO interface induced by the ferroelectric polarization. Our calculations show that when the ferroelectric polarization is pointing from BTO to STO, a 2DEG forms at the interface and acts as bridge for electrons to tunnel through the junctions. Nevertheless, there is no 2DEG at the interface under the opposite direction of the ferroelectric polarization, which results in a large tunnel resistance. More importantly, this ferroelectrically switchable 2DEG leads to a low resistance area product for Pt/BTO/STO/Pt junctions, which offers good compatibility with other components in an integrated circuit and is highly desired for industrial applications.

  6. Molecular dynamics analysis of the friction between a water-methanol liquid mixture and a non-polar solid crystal surface

    Science.gov (United States)

    Nakaoka, Satoshi; Yamaguchi, Yasutaka; Omori, Takeshi; Joly, Laurent

    2017-05-01

    We performed molecular dynamics analysis of the momentum transfer at the solid-liquid interface for a water-methanol liquid mixture between parallel non-polar solid walls in order to understand the strong decrease of the friction coefficient (FC) induced by the methanol adsorption at the surface observed in our previous work [S. Nakaoka et al., Phys. Rev. E 92, 022402 (2015)]. In particular, we extracted the individual contributions of water and methanol molecules to the total FC and found that the molecular FC for methanol was larger than that for water. We further showed that the reduction of the total solid-liquid FC upon the increase of the methanol molar fraction in the first adsorption layer occurred as a result of a decrease in the molecular number density as well as a decrease in the molecular FCs of both molecules. Analysis of the molecular orientation revealed that the decrease of the molecular FC of methanol resulted from changes of the contact feature onto the solid surface. Specifically, methanol molecules near the solid surface had their C-O bond parallel to the surface with both CH3 and O sites contacting the solid at low methanol molar fraction, while they had their C-O bond outward from the surface with only the CH3 site contacting the solid at higher methanol molar fraction. The mechanisms discussed in this work could be used to search for alternative water additives to further reduce the solid-liquid friction.

  7. Characterization of nonpolar a-plane InGaN/GaN multiple quantum well using double nanopillar SiO2 mask

    Science.gov (United States)

    Son, Ji-Su; Honda, Yoshio; Yamaguchi, Masahito; Amano, Hiroshi

    2014-01-01

    The characteristics of nonpolar a-plane (11\\bar{2}0) GaN (a-GaN) grown using single and double nanopillar SiO2 masks were investigated. The two nanopillar SiO2 masks were directly fabricated on an r-plane sapphire substrate and a-GaN by the epitaxial lateral overgrowth (ELOG) technique. Through the use of the single and double nanopillar SiO2 masks, the crystalline quality and optical properties of a-GaN were markedly improved because of the nanoscale ELOG effect and a number of voids in the single and double nanopillar SiO2 mask areas in comparison with the planar sample. The submicron pit densities of the planar, single, and double nanopillar mask samples were ˜2 × 109, ˜7 × 108, and ˜4 × 108 cm-2, respectively. The internal quantum efficiency (IQE) values at room temperature of three-period InGaN/GaN multiple quantum wells (MQWs) grown using the planar, single, and double nanopillar masks were 45, 60, and 68% at a carrier concentration of 1.0 × 1018 cm-3, respectively.

  8. Anti-Wear Performance and Mechanism of an Oil-Miscible Ionic Liquid as a Lubricant Additive

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Jun [ORNL; Bansal, Dinesh G [ORNL; Yu, Bo [ORNL; Howe, Jane Y [ORNL; Luo, Huimin [ORNL; Dai, Sheng [ORNL; Li, Huaqing [ORNL; Blau, Peter Julian [ORNL; Bunting, Bruce G [ORNL; Mordukhovich, Gregory [GM R& D and Planning, Warren, Michigan; Smolenski, Donald [GM R& D and Planning, Warren, Michigan

    2012-01-01

    An ionic liquid (IL) trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate has been investigated as a potential anti-wear lubricant additive. Unlike most other ILs that have very low solubility in non-polar fluids, this IL is fully miscible with various hydrocarbon oils. In addition, it is thermally stable up to 347 oC, showed no corrosive attack to cast iron in ambient environment, and has excellent wettability on solid surfaces (e.g., contact angle on cast iron <8o). Most importantly, this phosphonium-based IL has demonstrated effective anti-scuffing and anti-wear characteristics when blended with lubricating oils. For example, a 5 wt.% addition into a synthetic base oil eliminated the scuffing failure experienced by the neat oil and, as a result, reduced the friction coefficient by 60% and the wear rate by three orders of magnitude. A synergistic effect on wear protection was observed with the current anti-wear additive when added into a fully-formulated engine oil. Nanostructure examination and composition analysis revealed a tribo-boundary film and subsurface plastic deformation zone for the metallic surface lubricated by the IL-containing lubricants. This protective boundary film is believed to be responsible for the IL s anti-scuffing and anti-wear functionality.

  9. 异丙醇-环己烷萃取精馏过程模拟与优化%Simulation and Optimization of Extractive Distillation for Isopropanol-Cyclohexane Azeotropic Mixture

    Institute of Scientific and Technical Information of China (English)

    王婧娴; 乔建军; 梁金华; 白鹏

    2013-01-01

    Extractive distillation for isopropanol-cyclohexane azeotropic mixture was simulated and optimized. Simulation of extractive distillation was executed by RadFrac module of Aspen Plus simulation software using NRTL model and furfural as solvent. Sensitivity analysis was also performed to optimize the operation parameters. The simulation results show that its possible to separate isopropanol-cyclohexane a-zeotropic mixture by extractive distillation using furfural as solvent. The optimum operation parameters were as follows: in extractive distillation column, ideal stage number is 30, number of feed stage is 26, number of solvent stage is 12, mole reflux ratio is 1. 8 and ratio of solvent to feed is 3:1 ;in solvent recovery column, ideal stage number is 15, number of feed stage is 10, molar reflux ratio is 1. Under the optimized parameters, mass fraction of cyclohexane can reach 99. 74% and mass fraction of isopropanol can reach 99. 61% . The results of simulation and optimization will provide fundamental guide for the industrialization design and production.%利用化工流程模拟软件Aspen Plus对异丙醇-环己烷共沸物系的双塔连续萃取精馏过程进行了模拟计算与优化.首先根据溶剂相似相溶原理,先初选出糠醛和硝基苯作为备选溶剂,再通过汽液平衡试验及ChemCAD模拟筛选,确定糠醛为最适宜溶剂,选择NRTL模型作为物性方法,使用RadFrac模块进行模拟计算,并利用灵敏度分析模块对各工艺参数进行优化.结果表明,最适宜工艺方案为:萃取精馏塔理论塔板数为30,原料在第26块板进料,溶剂在第12块板进料,物质的量回流比为1.8,溶剂质量比为3∶1;溶剂回收塔理论板数为15,进料位置在第10块板,物质的量回流比为1.0.分离效果可达到环己烷质量分数为99.74%,异丙醇质量分数为99.61%.模拟和优化结果为分离过程的优化操作和设计提供了依据.

  10. Nutritional properties of poppyseed oil relative to some other oils.

    Science.gov (United States)

    Beare-Rogers, J L; Gray, L; Nera, E A; Levin, O L

    1979-01-01

    Male Wistar rats were fed a purified basal diet with 20% lard and corn oil (3:1), sunflower oil, poppyseed oil, low-erucic rapeseed oil from Brassica napus, cultivar Tower, or mixtures of these oils, for 1 or 26 weeks. None of the hearts exhibited lipidosis at 1 week. At 26 weeks, the level of serum triglycerides was higher in rats fed the mixture of lard and corn oil than in those fed only vegetable oil, and the incidence of cardiac necrosis and fibrosis was higher in rats fed the rapeseed oil than in the other animals. Cardiac phospholipids in rats fed the rapeseed oil contained an elevated level of omega 3 docosahexaenoic acid, particularly in phosphatidylethanolamine. Poppyseed oil exhibited properties similar to those of sunflower oil, was absorbed as well as olive oil, and appeared to be a promising oil for human consumption.

  11. Nonpolar a-plane light-emitting diode with an in-situ SiNx interlayer on r-plane sapphire grown by metal-organic chemical vapour deposition

    Institute of Scientific and Technical Information of China (English)

    Fang Hao; Long Hao; Sang Li-Wen; Qi Sheng-Li; Xiong Chang; Yu Tong-Jun; Yang Zhi-Jian; Zhang Guo-Yi

    2011-01-01

    We report on the growth and fabrication of nonpolar a-plane light emitting diodes with an in-situ SiNx interlayer grown between the undoped a-plane GaN buffer and Si-doped GaN layer. X-ray diffraction shows that the crystalline quality of the GaN buffer layer is greatly improved with the introduction of the SiNx interlayer. The electrical properties are also improved. For example, electron mobility and sheet resistance are reduced from high resistance to 31.6 cm2/(V·s) and 460 Ω/□ respectively. Owing to the significant effect of the SiNx interlayer, a-plane LEDs are realized. Electroluminescence of a nonpolar a-plane light-emitting diode with a wavelength of 488nm is demonstrated.The emission peak remains constant when the injection current increases to over 20 mA.

  12. Tarim Oil Field Company Oil Output Exceeds 5 Million Tons

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    PetroChina Tarim Oil Field Company (Tarim Oil Field), located in the hinterland of Takelamagan Desert in Northwest Xinjiang Autonomous Region,produced 5.006 million tons of crude oil in 2002,ranking it as the sixth largest onshore oil field in China. This is the first time Tarim Oil Field has topped 5 million tons for its crude production.

  13. Oil: Economics and politics

    Energy Technology Data Exchange (ETDEWEB)

    Ayoub, A. (Laval Univ., PQ (Canada))

    1994-01-01

    A review is presented of the evolution of the international petroleum sector since 1973 with a special emphasis on the interdependence between the economic and political factors that influence it. Two issues are focused on: the effects of the nationalization of oil companies on the sharing of oil rents and on changes in the structure of the oil market; and the determination of oil prices. Definitions are presented of oil rents, and the reasons for OPEC nationalization of oil companies are explored. The effects of nationalization on market structures, expansion of free markets, and vertical integration are discussed. The existence of an oil price floor and the reasons for such a floor are examined. It is shown that nationalization induced an internalization of rents by the producing countries, leading to the emergence of a differential rent supported by the politics of the industrialized countries. Nationalization led to the breakup of systems of vertical and horizontal integration, with replacement by a new dual structure with OPEC controlling the upstream activities of the oil sector and oil companies controlling the downstream ones. Prices move between a floor price set by the costs of substitute deposits in the U.S., while the determination of ceiling levels by OPEC rests on successive fragile compromises. Overall oil is still a strategic product, despite the existence of spot markets, forward trading options, etc. 29 refs.

  14. Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids.

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D

    2012-09-01

    The structures of the open-chain amide carboxylic acid rac-cis-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid, C(15)H(19)NO(4), (I), and the cyclic imides rac-cis-2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, C(15)H(17)NO(3), (II), chiral cis-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid, C(15)H(15)NO(4), (III), and rac-cis-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid monohydrate, C(15)H(15)NO(4)·H(2)O, (IV), are reported. In the amide acid (I), the phenylcarbamoyl group is essentially planar [maximum deviation from the least-squares plane = 0.060 (1) Å for the amide O atom] and the molecules form discrete centrosymmetric dimers through intermolecular cyclic carboxy-carboxy O-H···O hydrogen-bonding interactions [graph-set notation R(2)(2)(8)]. The cyclic imides (II)-(IV) are conformationally similar, with comparable benzene ring rotations about the imide N-C(ar) bond [dihedral angles between the benzene and isoindole rings = 51.55 (7)° in (II), 59.22 (12)° in (III) and 51.99 (14)° in (IV)]. Unlike (II), in which only weak intermolecular C-H···O(imide) hydrogen bonding is present, the crystal packing of imides (III) and (IV) shows strong intermolecular carboxylic acid O-H···O hydrogen-bonding associations. With (III), these involve imide O-atom acceptors, giving one-dimensional zigzag chains [graph-set C(9)], while with the monohydrate (IV), the hydrogen bond involves the partially disordered water molecule which also bridges molecules through both imide and carboxy O-atom acceptors in a cyclic R(4)(4)(12) association, giving a two-dimensional sheet structure. The structures reported here expand the structural database for compounds of this series formed from the facile reaction of cis-cyclohexane-1,2-dicarboxylic anhydride with substituted anilines, in which there is a much larger incidence of cyclic imides compared to amide carboxylic acids.

  15. Increasing oil recovery from heavy oil waterfloods

    Energy Technology Data Exchange (ETDEWEB)

    Brice, B.W. [Society of Petroleum Engineers, Canadian Section, Calgary, AB (Canada)]|[BP Exploration, Calgary, AB (Canada)

    2008-10-15

    In an effort to optimize waterflood strategies in Alaska, the authors examined the results of up to 50 years of waterflooding on 166 western Canadian waterfloods recovering oil of less than 30 degrees API. The study determined the best operating practices for heavy oil waterflooding by investigating the difference between waterflooding of heavy oil and lighter oil counterparts. Operators of light oil waterflooding are advised to begin waterflooding early and maintain the voidage replacement ratio (VRR) at 1. However, this study showed that it is beneficial to delay the start of waterflooding until a certain fraction of the original oil in place was recovered. Varying the VRR was also shown to correlate with increased ultimate recovery. This statistical study of 166 western Canadian waterfloods also examined the effect of injection strategy and the effect of primary production before waterflooding. Some pre-waterflood production and under injection time is advantageous for ultimate recovery by waterfloods. Specific recommendations were presented for waterfloods in reservoirs with both high and low API gravity ranges. Each range showed a narrow sweet spot window where improved recovery occurred. 27 refs., 13 figs.

  16. Estimation of Kinetic Parameters for Autocatalytic Oxidation of Cyclohexane Based on a Modified Adaptive Genetic Algorithm%基于一种改进的自适应遗传算法估算环己烷自催化氧化反应动力学参数

    Institute of Scientific and Technical Information of China (English)

    刘平乐; 邹丽珊; 罗和安; 王良芥; 郑金华

    2004-01-01

    A modified genetic algorithm of multiple selection strategies, crossover strategies and adaptive operator is constructed, and it is used to estimate the kinetic parameters in autocatalytic oxidation of cyclohexane. The influences of selection strategy, crossover strategy and mutation strategy on algorithm performance are discussed.This algorithm with a specially designed adaptive operator avoids the problem of local optimum usually associated with using standard genetic algorithm and simplex method. The kinetic parameters obtained from the modified genetic algorithm are credible and the calculation results using these parameters agree well with experimental data.Furthermore, a new kinetic model of cyclohexane autocatalytic oxidation is established and the kinetic parameters are estimated by using the modified genetic algorithm.

  17. Spectroscopic study of Mentha oils

    Science.gov (United States)

    Rai, A. K.; Singh, A. K.

    The visible fluorescence and excitation spectra of Mentha oils (Japanese mint oil, peppermint oil and spearmint oil) have been recorded. Different physical constants which are characteristic of the fluorescent molecules have been calculated for all three oils. Results reveal that the same group of organic compounds dominate in the oils of peppermint and spearmint, whereas some different compound is present in Japanese mint oil. It is also found that the fluorescence intensity of these oils is comparable to that of Rhodamine 6G dye in methanol solution. Our studies suggest that Mentha oils may be a useful lasing material in the 450-600 nm wavelength range.

  18. A self-cleaning polybenzoxazine/TiO2 surface with superhydrophobicity and superoleophilicity for oil/water separation

    Science.gov (United States)

    Zhang, Wenfei; Lu, Xin; Xin, Zhong; Zhou, Changlu

    2015-11-01

    promising in treating water pollution. Importantly, PBZT demonstrates an integrated self-cleaning performance on the removal of both oil and particle contamination. It is expected that this simple process can be readily adopted for the design of multifunctional PBZ/TiO2 based materials for oil/water separation. Electronic supplementary information (ESI) available: Elemental distribution and the specific surface area of PBZT10. SEM images of PBZT3, PBZT10 and PBZT20. Water and oil contact angles on prepared samples. FTIR spectra of OA/PBZT10 before and after heating. Images of water droplets on PBZT10 before and during rolling when the base was tilted. Video recordings of the cyclohexane droplet on PBZT10, an oil/water separation process and a self-cleaning process. See DOI: 10.1039/c5nr06425b

  19. GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle.

    Science.gov (United States)

    Hudaib, Mohammad; Speroni, Ester; Di Pietra, Anna Maria; Cavrini, Vanni

    2002-07-20

    Capillary GC/MS analysis based on polar and non-polar columns has been applied to evaluation of the volatile oils hydrodistilled from thyme (Thymus vulgaris L.) plants. The adopted methodology has been used to monitor seasonal variations in the composition of the oil obtained from thyme herbs harvested at different periods during the plant vegetative and life cycles. Oils from thyme plants of young (2 years) and old (5 years) cultivations have been evaluated from four and two collections, respectively, effected throughout May/December growth period. Generally, the oil was found to be rich in the active monoterpene phenols (thymol and carvacrol) and their corresponding monoterpene hydrocarbon (HC) precursors (p-cymene and gamma-terpinene), which collectively showed synchronized patterns of variation during the different collection periods and in different seasons. The oil from old plant collected in May/June period (0.15% v/w) was characterized by significantly lower levels of monoterpene HCs (mainly gamma-terpinene) and the highest levels of the oxygenated monoterpenes (linalool and borneol), monoterpene phenols (mainly thymol) and their derivatives (mainly carvacrol methyl ether), sesquiterpenes (mainly beta-caryophyllene) and their oxygenated derivatives (e.g. caryophyllene oxide) in comparison with all other samples. A characteristic presence of camphor and thymodihydroquinone was also observed in the old plant oils. On the other hand, the young plant, collected in June/July just before the end of the vegetative cycle, provided the best oil yield (1.2%) with also the highest % content of the monoterpene phenols (thymol: 51.2% and carvacrol: 4%). This latter growth period can represent the best harvest time of young thyme plants in order to obtain an essential oil with better quality and quantity.

  20. Chemometric techniques in oil classification from oil spill fingerprinting.

    Science.gov (United States)

    Ismail, Azimah; Toriman, Mohd Ekhwan; Juahir, Hafizan; Kassim, Azlina Md; Zain, Sharifuddin Md; Ahmad, Wan Kamaruzaman Wan; Wong, Kok Fah; Retnam, Ananthy; Zali, Munirah Abdul; Mokhtar, Mazlin; Yusri, Mohd Ayub

    2016-10-15

    Extended use of GC-FID and GC-MS in oil spill fingerprinting and matching is significantly important for oil classification from the oil spill sources collected from various areas of Peninsular Malaysia and Sabah (East Malaysia). Oil spill fingerprinting from GC-FID and GC-MS coupled with chemometric techniques (discriminant analysis and principal component analysis) is used as a diagnostic tool to classify the types of oil polluting the water. Clustering and discrimination of oil spill compounds in the water from the actual site of oil spill events are divided into four groups viz. diesel, Heavy Fuel Oil (HFO), Mixture Oil containing Light Fuel Oil (MOLFO) and Waste Oil (WO) according to the similarity of their intrinsic chemical properties. Principal component analysis (PCA) demonstrates that diesel, HFO, MOLFO and WO are types of oil or oil products from complex oil mixtures with a total variance of 85.34% and are identified with various anthropogenic activities related to either intentional releasing of oil or accidental discharge of oil into the environment. Our results show that the use of chemometric techniques is significant in providing independent validation for classifying the types of spilled oil in the investigation of oil spill pollution in Malaysia. This, in consequence would result in cost and time saving in identification of the oil spill sources.