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Sample records for carbon molecular sieve

  1. Why are carbon molecular sieves interesting?

    Directory of Open Access Journals (Sweden)

    Oliveira Erica C. de

    2006-01-01

    Full Text Available This paper describes the production methods and the prospective uses of carbon molecular sieves. The main route to these materials is replication synthesis, where a silica or aluminosilicate molecular sieve is used as template to grow the carbonaceous phase in the voids. These materials may have applications as varied as in separation, adsorption and storage of gases, as electrodes in batteries, and as catalyst supports, all of them highly dependent on the molecular sieve porosity.

  2. Carbon fiber composite molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Burchell, T.D.; Rogers, M.R.; Williams, A.M.

    1996-06-01

    The removal of CO{sub 2} is of significance in several energy applications. The combustion of fossil fuels, such as coal or natural gas, releases large volumes of CO{sub 2} to the environment. Several options exist to reduce CO{sub 2} emissions, including substitution of nuclear power for fossil fuels, increasing the efficiency of fossil plants and capturing the CO{sub 2} prior to emission to the environment. All of these techniques have the attractive feature of limiting the amount of CO{sub 2} emitted to the atmosphere, but each has economic, technical, or societal limitations. In the production of natural gas, the feed stream from the well frequently contains contaminants and diluents which must be removed before the gas can enter the pipeline distribution system. Notable amongst these diluent gasses is CO{sub 2}, which has no calorific value. Currently, the pipeline specification calls for <2 mol % CO{sub 2} in the gas. Gas separation is thus a relevant technology in the field of energy production. A novel separation system based on a parametric swing process has been developed that utilizes the unique combination of properties exhibited by our carbon fiber composite molecular sieve (CFCMS).

  3. Recent Advances on Carbon Molecular Sieve Membranes (CMSMs) and Reactors

    National Research Council Canada - National Science Library

    Llosa Tanco, Margot; Pacheco Tanaka, David

    2016-01-01

    Carbon molecular sieve membranes (CMSMs) are an important alternative for gas separation because of their ease of manufacture, high selectivity due to molecular sieve separation, and high permeance...

  4. Reassessing molecular sieving by kinked carbon nanotubes

    Science.gov (United States)

    Zhang, Zhongqiang; Zhang, Hongwu; Wang, Lei; Ding, Jianning; Wang, Jinbao; Zheng, Yonggang; Ye, Hongfei; Liu, Zhen; Cheng, Guanggui; Ling, Zhiyong

    2011-12-01

    Based on molecular dynamics simulations for the transport of pure nitrogen (N2), oxygen (O2) and their mixture in kinked single-walled carbon nanotubes (SWCNTs), molecular sieving by the kinked model of SWCNTs is presented. The influences of gas pressure, temperature and the component ratio of N2 in the mixture on gas separation are investigated. Considering the tradeoff between the permeability and the purity of O2, the results show that a large gas pressure, 300-500 K of gas temperature and a low component ratio of N2 in the N2-O2 mixture can be advantageous to the efficiency of gas separation. The purity of O2 can be kept higher than 80% when the component ratio of N2 is lower than 3/4, which will be advantageous to the design of multi-level gas separation mechanisms. The findings may provide theoretical references for the design and manufacture of molecular sieving devices in engineering applications.

  5. Copper crystallite in carbon molecular sieves for selective oxygen removal

    Science.gov (United States)

    Sharma, Pramod K. (Inventor); Seshan, Panchalam K. (Inventor)

    1993-01-01

    Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfurfuryl alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

  6. Copper modified carbon molecular sieves for selective oxygen removal

    Science.gov (United States)

    Sharma, Pramod K. (Inventor); Seshan, Panchalam K. (Inventor)

    1992-01-01

    Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfunctional alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

  7. Production of carbon molecular sieves from illinois coals. An assessment

    Science.gov (United States)

    Lizzio, Anthony A.; Rostam-Abadi, Massoud

    1991-01-01

    Chars were produced from an Illinois No. 2 bituminous coal under various pyrolysis and activation conditions and tested for their molecular sieve properties. The amount of N2 compared to the amount of CO2 adsorbed by each char was used as a preliminary indicator of its molecular sieve properties. This relatively simple, but apparently useful test was confirmed by successfully characterizing the well-known molecular sieve properties of a commercial zeolite and molecular sieve carbon. In addition, coal chars having relatively high surface areas (800-1800 m2/g) were produced and tested for their molecular sieving capabilities. These carbon materials, which have high adsorption capacities and relatively narrow pore size distributions, should be ideal candidates for the commercial production of CMS.

  8. Recent Advances on Carbon Molecular Sieve Membranes (CMSMs and Reactors

    Directory of Open Access Journals (Sweden)

    Margot A. Llosa Tanco

    2016-08-01

    Full Text Available Carbon molecular sieve membranes (CMSMs are an important alternative for gas separation because of their ease of manufacture, high selectivity due to molecular sieve separation, and high permeance. The integration of separation by membranes and reaction in only one unit lead to a high degree of process integration/intensification, with associated benefits of increased energy, production efficiencies and reduced reactor or catalyst volume. This review focuses on recent advances in carbon molecular sieve membranes and their applications in membrane reactors.

  9. Recent Advances on Carbon Molecular Sieve Membranes (CMSMs) and Reactors

    OpenAIRE

    Llosa Tanco, Margot A.; David A. Pacheco Tanaka

    2016-01-01

    Carbon molecular sieve membranes (CMSMs) are an important alternative for gas separation because of their ease of manufacture, high selectivity due to molecular sieve separation, and high permeance. The integration of separation by membranes and reaction in only one unit lead to a high degree of process integration/intensification, with associated benefits of increased energy, production efficiencies and reduced reactor or catalyst volume. This review focuses on recent advances in carbon mole...

  10. Carbon molecular sieves for air separation from Nomex aramid fibers.

    Science.gov (United States)

    Villar-Rodil, Silvia; Martínez-Alonso, Amelia; Tascón, Juan M D

    2002-10-15

    Activated carbon fibers prepared from aramid fibers have proved to possess outstanding homogeneity in pore size, most of all when Nomex aramid fiber is used as precursor. Taking advantage of this feature, microporous carbon molecular sieves for air separation have been prepared through carbon vapor deposition of benzene on Nomex-derived carbon fibers activated to two different burnoff degrees. Carbon molecular sieves with good selectivity for this separation and showing acceptable adsorption capacities were obtained from ACFs activated to the two burnoff degrees chosen.

  11. High-Flux Carbon Molecular Sieve Membranes for Gas Separation.

    Science.gov (United States)

    Richter, Hannes; Voss, Hartwig; Kaltenborn, Nadine; Kämnitz, Susanne; Wollbrink, Alexander; Feldhoff, Armin; Caro, Jürgen; Roitsch, Stefan; Voigt, Ingolf

    2017-06-26

    Carbon membranes have great potential for highly selective and cost-efficient gas separation. Carbon is chemically stable and it is relative cheap. The controlled carbonization of a polymer coating on a porous ceramic support provides a 3D carbon material with molecular sieving permeation performance. The carbonization of the polymer blend gives turbostratic carbon domains of randomly stacked together sp2 hybridized carbon sheets as well as sp3 hybridized amorphous carbon. In the evaluation of the carbon molecular sieve membrane, hydrogen could be separated from propane with a selectivity of 10 000 with a hydrogen permeance of 5 m3 (STP)/(m2 hbar). Furthermore, by a post-synthesis oxidative treatment, the permeation fluxes are increased by widening the pores, and the molecular sieve carbon membrane is transformed from a molecular sieve carbon into a selective surface flow carbon membrane with adsorption controlled performance and becomes selective for carbon dioxide. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Functionalized Carbon Molecular Sieve membranes containing Ag-nanoclusters

    NARCIS (Netherlands)

    Barsema, J.N.; Balster, J.H.; Jordan, V.; van der Vegt, N.F.A.; Wessling, Matthias

    2003-01-01

    In Carbon Molecular Sieve (CMS) membranes, the separation of O2 and N2 is primarily based on the difference in size between the gas molecules. To enhance the separation properties of these CMS membranes it is necessary to functionalize the carbon matrix with materials that show a high affinity to

  13. Carbon molecular sieve membranes prepared from porous fiber precursor

    NARCIS (Netherlands)

    Barsema, J.N.; van der Vegt, N.F.A.; Koops, G.H.; Wessling, Matthias

    2002-01-01

    Carbon molecular sieve (CMS) membranes are usually prepared from dense polymeric precursors that already show intrinsic gas separation properties. The rationale behind this approach is that the occurrence of any kind of initial porosity will deteriorate the final CMS performance. We will show that

  14. A low cost route to hexagonal mesostructured carbon molecular sieves.

    Science.gov (United States)

    Kim, S S; Pinnavaia, T J

    2001-12-07

    A mesoporous carbon molecular sieve with a hexagonal framework structure (denoted C-MSU-H) has been prepared using a MSU-H silica template that can be assembled from a low cost soluble silicate precursor at near-neutral pH conditions.

  15. Characterization of Carbon Molecular Sieve Membranes Supported on Ceramic Tubes

    OpenAIRE

    Briceño, Kelly; Silvestre Albero, Joaquín; Silvestre Albero, Ana; Calvo Díaz, José Ignacio; Montané, Daniel; Garcia-Valls, Ricard; Hernández Giménez, Antonio; Rodríguez Reinoso, Francisco

    2013-01-01

    Carbon molecular sieve membranes have been analyzed in supported and unsupported configurations in this experimental study. The membranes were used to adsorb CO2, N2 and CH4, and their adsorption data were analyzed to establish differences in rate and capacity of adsorption between the two types of samples (supported and unsupported). Experimental results show an important effect of the support, which can be considered as an additional parameter to tailor pore size on these carbon membranes. ...

  16. Effect of processing on carbon molecular sieve structure and performance

    KAUST Repository

    Das, Mita

    2010-11-01

    Sub-micron sized carbon molecular sieve (CMS) materials were produced via ball milling for subsequent use in hybrid material formation. A detailed analysis of the effects of the milling process in the presence of different milling environments is reported. The milling process apparently alters the molecular scale structure and properties of the carbon material. Three cases: unmilled, air milled and nitrogen milled, were analyzed in this work. The property changes were probed using equilibrium sorption experiments with different gases. Furthermore, WAXD and BET results also showed differences between milling processes. Finally in order to improve the interfacial polymer-sieve region of hybrid membranes, the CMS surface was chemically modified with a linkage unit capable of covalently bonding the polymer to the sieve. A published single-wall carbon nanotube (SWCNTs) modification method was adopted to attach a primary aromatic amine to the surface. Several aspects including rigidity, chemical composition, bulky groups and length were considered in selecting the preferred linkage unit. Fortunately kinetic and equilibrium sorption properties of the modified sieves showed very little difference from unmodified samples, suggesting that the linkage unit is not excessively filling or obstructing access to the pores of the CMSs during the modification process. © 2010 Elsevier Ltd. All rights reserved.

  17. Carbon fiber composite molecular sieve electrically regenerable air filter media

    Science.gov (United States)

    Wilson, Kirk A.; Burchell, Timothy D.; Judkins, Roddie R.

    1998-01-01

    An electrically regenerable gas filter system includes a carbon fiber composite molecular sieve (CFCMS) filter medium. After a separate medium-efficiency pre-filter removes particulate from the supply airstream, the CFCMS filter sorbs gaseous air pollutants before the air is recirculated to the space. When saturated, the CFCMS media is regenerated utilizing a low-voltage current that is caused to pass through the filter medium.

  18. Production of carbon molecular sieves from Illinois coal

    Science.gov (United States)

    Lizzio, A.A.; Rostam-Abadi, M.

    1993-01-01

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for application in the separation of gas molecules that vary in size and shape. A study is in progress at the Illinois State Geological Survey to determine whether Illinois basin coals are suitable feedstocks for the production of CMS and to evaluate their potential application in gas separation processes of commercial importance. Chars were prepared from Illinois coal in a fixed-bed reactor under a wide range of heat treatment and activation conditions. The effects of various coal/char pretreatments, including coal demineralization, preoxidation, char activation, and carbon deposition, on the molecular sieve properties of the chars were also investigated. Chars with commercially significant BET surface areas of 1500 m2/g were produced by chemical activation using potassium hydroxide as the activant. These high-surface-area (HSA) chars had more than twice the adsorption capacity of commercial carbon and zeolite molecular sieves. The kinetics of adsorption of various gases, e.g., N2, O2, CO2, CH4, CO and H2, on these chars at 25??C was measured. The O2/N2 molecular sieve properties of one char prepared without chemical activation were similar to those of a commercial CMS. On the other hand, the O2/N2 selectivity of the HSA char was comparable to that of a commercial activated carbon, i.e., essentially unity. Carbon deposition, using methane as the cracking gas, increased the O2/N2 selectivity of the HSA char, but significantly decreased its adsorption capacity. Several chars showed good potential for efficient CO2/CH4 separation; both a relatively high CO2 adsorption capacity and CO2/CH4 selectivity were achieved. The micropore size distribution of selected chars was estimated by equilibrium adsorption of carbon dioxide, n-butane and iso-butane at O??C. The extent of adsorption of each gas corresponded to the effective surface area contained in pores with diameters greater than 3

  19. A heterogeneous model for gas transport in carbon molecular sieves.

    Science.gov (United States)

    Ding, L P; Yuan, Y X; Farooq, S; Bhatia, S K

    2005-01-18

    A dual resistance model with distribution of either barrier or pore diffusional activation energy is proposed in this work for gas transport in carbon molecular sieve (CMS) micropores. This is a novel approach in which the equilibrium is homogeneous, but the kinetics is heterogeneous. The model seems to provide a possible explanation for the concentration dependence of the thermodynamically corrected barrier and pore diffusion coefficients observed in previous studies from this laboratory on gas diffusion in CMS. The energy distribution is assumed to follow the gamma distribution function. It is shown that the energy distribution model can fully capture the behavior described by the empirical model established in earlier studies to account for the concentration dependence of thermodynamically corrected barrier and pore diffusion coefficients. A methodology is proposed for extracting energy distribution parameters, and it is further shown that the extracted energy distribution parameters can effectively predict integral uptake and column breakthrough profiles over a wide range of operating pressures.

  20. Solid-phase reversible trap for [11C]carbon dioxide using carbon molecular sieves.

    Science.gov (United States)

    Mock, B H; Vavrek, M T; Mulholland, G K

    1995-07-01

    A simple, maintenance-free trapping technique which concentrates and purifies no-carrier-added 11CO2 from gas targets is described. The trap requires no liquid nitrogen cooling and has no moving parts besides solenoid valves. It employs carbon molecular sieves to adsorb 11CO2 selectively from gas targets at room temperature. Nitrogen, O2, CO, NO and moisture in the target gas which could interfere with subsequent radiochemical steps are not retained. Trapping efficiency of 1 g of sieve for 11CO2 from a 240 cm3 target gas dump and helium flush cycle is > 99%, and the adsorbed 11CO2 is recovered quantitatively as a small concentrated bolus from the carbon sieve trap by thermal desorption. This durable trap has performed reliably for more than 1 y with a single charge of carbon sieve. It has simplified the production, and improved the yields of several 11C-radiochemicals at this laboratory.

  1. Nanoporous carbon sorbent for molecular-sieve chromatography of lipoprotein complex

    Science.gov (United States)

    Kerimkulova, A. R.; Mansurova, B. B.; Gil'manov, M. K.; Mansurov, Z. A.

    2012-06-01

    The physicochemical characteristics of carbon sorbents are investigated. Electron microscopy data for the sorbent and separated lipoprotein complex are presented. It is found that the obtained carbon sorbent possess high porosity. Nanoporous carbon sorbents for the chromatography of molecular-sieve markers are obtained and tested. The applicability of nanoporous carbon sorbents for separation of lipoprotein complexes (LPC) is investigated.

  2. Carbon dioxide sorption in a nanoporous octahedral molecular sieve

    Science.gov (United States)

    Williamson, Izaak; Nelson, Eric B.; Li, Lan

    2015-08-01

    We have performed first-principles density functional theory calculations, incorporated with van der Waals interactions, to study CO2 adsorption and diffusion in nanoporous solid—OMS-2 (Octahedral Molecular Sieve). We found the charge, type, and mobility of a cation, accommodated in a porous OMS-2 material for structural stability, can affect not only the OMS-2 structural features but also CO2 sorption performance. This paper targets K+, Na+, and Ba2+ cations. First-principles energetics and electronic structure calculations indicate that Ba2+ has the strongest interaction with the OMS-2 porous surface due to valence electrons donation to the OMS-2 and molecular orbital hybridization. However, the Ba-doped OMS-2 has the worst CO2 uptake capacity. We also found evidence of sorption hysteresis in the K- and Na-doped OMS-2 materials.

  3. A systematic investigation of the preparation and properties of composite carbon molecular sieves containing inorganic oxides

    Science.gov (United States)

    Foley, Henry C.

    1990-01-01

    The objective of this research is to define the methodology for the preparation and characterization of new carbon-based molecular sieves with composite structures. Carbon molecular sieves have found increasing application in the field of separation and purification of gases. These materials are relatively easy to prepare and their surfaces can be modified to some extent. It is expected that by combining inorganic oxides with the carbonaceous structure one can begin to design composite materials with a wider range of possible chemical and physical properties. In this way, the IOM-CMS materials may confer distinct advantages over pure carbon molecular sieves, not just for separation, but also for catalysis. The most recent results in the design and characterization of these IOM-CMS materials are reviewed and summarized. Directions for further research are also presented.

  4. Space station molecular sieve development

    Science.gov (United States)

    Chang, C.; Rousseau, J.

    1986-01-01

    An essential function of a space environmental control system is the removal of carbon dioxide (CO2) from the atmosphere to control the partial pressure of this gas at levels lower than 3 mm Hg. The use of regenerable solid adsorbents for this purpose was demonstrated effectively during the Skylab mission. Earlier sorbent systems used zeolite molecular sieves. The carbon molecular sieve is a hydrophobic adsorbent with excellent potential for space station application. Although carbon molecular sieves were synthesized and investigated, these sieves were designed to simulate the sieving properties of 5A zeolite and for O2/N2 separation. This program was designed to develop hydrophobic carbon molecular sieves for CO2 removal from a space station crew environment. It is a first phase effort involved in sorbent material development and in demonstrating the utility of such a material for CO2 removal on space stations. The sieve must incorporate the following requirements: it must be hydrophobic; it must have high dynamic capacity for carbon dioxide at the low partial pressure of the space station atmosphere; and it must be chemiclly stable and will not generate contaminants.

  5. A new beaded carbon molecular sieve sorbent for 222Rn monitoring.

    Science.gov (United States)

    Scarpitta, S C

    1996-05-01

    A new commercially available beaded carbon molecular sieve sorbent, Carboxen-564 (20/45 mesh), was tested and compared to Calgon-PCB (40/80) activated carbon for its adsorptive and desorptive characteristics under controlled conditions of temperature (25 degrees C) and relative humidity (RH). The amount of water vapor adsorbed by the beaded carbon molecular sieve material was typically a factor of 4 lower than the activated carbon, with a concomitant fourfold increase in the 222Rn adsorption coefficient, K(Rn). The maximum K(Rn) value for a thin layer of Carboxen-564, following a 2-d exposure at 40% RH, was 7.2 Bq kg(-1) per Bq m(-3). The K(Rn) or a 1-cm bed, following a 2-d exposure was 5.5 Bq m(-3), a 25% reduction. Under dynamic sampling conditions, where 0.4 g of the beaded carbon molecular sieve was contained in a 6 cm x 0.4 cm diameter tube, the maximum K(Rn) value was 6.5 Bq m(-3) after 2.5 h of sampling at 29% RH when the input flow rate was 4.2 x 10(-3) m3 h-1. Kinetic studies were also conducted under passive sampling conditions. The data show that the 222Rn buildup time-constant for a thin layer of the beaded carbon molecular sieve material was 1.3 h, whereas that of a 1 cm bed was 13 h. The 222Rn desorption time-constants, from gram amounts of the beaded carbon molecular sieve material into air and into a commercially available toluene based liquid scintillation cocktail, were 2 h and 3 h, respectively. Carboxen's high 222Rn adsorbing capacity, rapid kinetics, hydrophobicity and physical properties makes it an attractive alternative to other commercially available activated carbon used in passive and dynamic sampling devices.

  6. Modeling water adsorption in carbon micropores: study of water in carbon molecular sieves.

    Science.gov (United States)

    Rutherford, S W

    2006-01-17

    Measurements of water adsorption equilibrium in a carbon molecular sieve are undertaken in order to gain insight into the nature of water adsorption in carbon micropores. The measurements are taken at low concentrations to emphasize the role of oxygen-containing functional groups in the adsorption of water. Comparisons are made with previously published water adsorption data at higher concentrations to provide a data set spanning a wide range of loading. The assembled data set provides an opportunity for comparison of various theories for prediction of water adsorption in carbon micropores. Shortcomings of current theories are outlined, and an analytical theory that is free of these deficiencies is proposed in this investigation. With the consideration of micropore volume and pore size distribution, the experimental data and proposed isotherm model are consistent with previous studies of Takeda carbon molecular sieves. Also investigated is the uptake kinetics of water, which is characterized by a Fickian diffusion mechanism. The Maxwell-Stefan formulation is applied to characterize the dependence of the diffusional mobility upon loading.

  7. The dependence of the electronic conductivity of carbon molecular sieve electrodes on their charging states.

    Science.gov (United States)

    Pollak, Elad; Genish, Isaschar; Salitra, Gregory; Soffer, Abraham; Klein, Lior; Aurbach, Doron

    2006-04-13

    The dependence of the electronic conductivity of activated carbon electrodes on their potential in electrolyte solutions was examined. Kapton polymer films underwent carbonization (1000 degrees C), followed by a mild oxidation process (CO(2) at 900 degrees C) for various periods of time, to obtain carbons of different pore structures. A specially designed cell was assembled in order to measure the conductivity of carbon electrodes at different potentials in solutions. When the carbon electrodes possessed molecular sieving properties, a remarkable dependence of their conductivity on their charging state was observed. Aqueous electrolyte solutions containing ions of different sizes were used in order to demonstrate this phenomenon. As the average pore size of the activated carbons was larger, their molecular sieving ability was lower, and the dependence of their conductivity on their charging state regained its classical form. This behavior is discussed herein.

  8. Ag-functionalized carbon molecular-sieve membranes based on polyelectrolyte/polyimide blend precursors

    NARCIS (Netherlands)

    Barsema, J.N.; van der Vegt, N.F.A.; Koops, G.H.; Wessling, Matthias

    2005-01-01

    We prepared dense flat-sheet Ag-functionalized carbon molecular-sieve (CMS) membranes from blends of P84 co-polyimide and a sulfonated poly(ether ether ketone) with a Ag+ counterion (AgSPEEK). These blends offer the possibility of producing new functionalized precursor structures, which were

  9. Utility of 5A molecular sieves to measure carbon isotope ratios in lipid biomarkers.

    Science.gov (United States)

    Tolosa, Imma; Ogrinc, Nives

    2007-09-21

    A procedure using 5A zeolite sorption to separate cyclic/branched organic compounds from the linear ones was developed and carbon isotopic fractionation effects were investigated in different families of compounds, e.g. within the hydrocarbon and alcohol compounds. The 5A sieve has a pore size such that only linear components can be incorporated into the pores whereas the cyclic/branched compounds are remaining free in the organic solution. The sorbed compounds were released from the molecular sieve with HF and solvent extracted with hexane. The method enables the isolation of linear saturated classes, such as n-alkanes and n-fatty alcohols from branched/cyclic compounds without isotopic fractionation for compound-specific isotope analysis (CSIA) of delta(13)C. However, alkene hydrocarbons, sterols and some aromatics were completely or partly degraded with the molecular sieve.

  10. Carbon molecular sieves from carbon cloth: Influence of the chemical impregnant on gas separation properties

    Science.gov (United States)

    Rodríguez-Blanco, G.; Giraldo, L.; Moreno-Piraján, J. C.

    2010-06-01

    Carbon materials with molecular sieve properties (CMS) were prepared by pyrolysis of cotton fabrics by chemical activation procedures. To evaluate the changes in the chemical and textural properties, the impregnants AlCl 3, ZnCl 2 and H 3PO 4 were used at 1123 K. The materials were characterized using adsorption of nitrogen and carbon dioxide, TPD, and immersion calorimetry in C 6H 6. Adsorption kinetics of O 2, N 2, CO 2, CH 4, C 3H 8 and C 3H 6 were measured in all the prepared materials to determine their behaviour as molecular sieves. The results confirm that the chemical used as impregnant has a significant effect on the resulting CMS separation properties. All materials exhibit microporosity and low oxygen surface group contents; however, the sample impregnated with zinc chloride, with an immersion enthalpy value of 66.4 J g -1 in benzene, exhibits the best performance in the separation of CH 4-CO 2 and C 3H 8-C 3H 6 at 273 K.

  11. Various conformations of carbon nanocoils prepared by supported Ni-Fe/molecular sieve catalyst.

    Science.gov (United States)

    Yang, Shaoming; Chen, Xiuqin; Takeuchi, K; Motojima, Seiji

    2006-01-01

    The carbon nanocoils with various kinds of conformations were prepared by the catalytic pyrolysis of acetylene using the Ni metal catalyst supported on molecular Sieves which was prepared using Fe-containing kaolin as the raw material. There are four kinds of carbon nanocoils conformations produced by this catalyst. The influences of reaction temperature and gas conditions on the conformations of the nanocoils were investigated and the reasons of forming nano-size coils were discussed by comparison with pure Ni metal catalyst.

  12. Reverse osmosis molecular differentiation of organic liquids using carbon molecular sieve membranes

    Science.gov (United States)

    Koh, Dong-Yeun; McCool, Benjamin A.; Deckman, Harry W.; Lively, Ryan P.

    2016-08-01

    Liquid-phase separations of similarly sized organic molecules using membranes is a major challenge for energy-intensive industrial separation processes. We created free-standing carbon molecular sieve membranes that translate the advantages of reverse osmosis for aqueous separations to the separation of organic liquids. Polymer precursors were cross-linked with a one-pot technique that protected the porous morphology of the membranes from thermally induced structural rearrangement during carbonization. Permeation studies using benzene derivatives whose kinetic diameters differ by less than an angstrom show kinetically selective organic liquid reverse osmosis. Ratios of single-component fluxes for para- and ortho-xylene exceeding 25 were observed and para- and ortho- liquid mixtures were efficiently separated, with an equimolar feed enriched to 81 mole % para-xylene, without phase change and at ambient temperature.

  13. Structure–performance characterization for carbon molecular sieve membranes using molecular scale gas probes

    KAUST Repository

    Rungta, Meha

    2015-04-01

    © 2015 Elsevier Ltd. All rights reserved. Understanding the relationship between carbon molecular sieve (CMS) pore structure and corresponding gas separation performance enables optimization for a given gas separation application. The final pyrolysis temperature and starting polymer precursor are the two critical parameters in controlling CMS performance. This study considers structure and performance changes of CMS derived from a commercially available polymer precursor at different pyrolysis temperatures. As reviewed in this paper, most traditional characterization methods based on microscopy, X-ray diffraction, spectroscopy, sorption-based pore size distribution measurements etc. provide limited information for relating separation performance to the CMS morphology and structural changes. A useful alternative approach based on different sized gases as molecular scale probes of the CMS pore structure was successfully used here in conjunction with separation data to provide critical insights into the structure-performance relationships of the engineered CMS.

  14. Diffusion of light gases in 6FDA/BPDA-DAM Carbon Molecular Sieve membranes by Pulsed Field Gradient NMR

    OpenAIRE

    Mueller, Robert; Kanungo, Rohit; Kiyono-Shimobe, Mayumi; Koros, William J.; Vasenkov, Sergey

    2015-01-01

    In this paper, we demonstrate the potential of pulsed field gradient (PFG) NMR spectroscopy to reveal detailed knowledge of self-diffusion of light gases and light gas mixtures in carbon molecular sieve membranes on small length scales. PFG NMR is used to investigate intra-membrane diffusion of carbon dioxide and methane for a broad range of temperatures and mean square displacements in a carbon molecular sieve membrane derived from a 6FDA/BPDA-DAM polyimide film. Diffusion is investigated...

  15. Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes

    OpenAIRE

    Yingjun Song; Wang, David K.; Greg Birkett; Wayde Martens; Duke, Mikel C.; Simon Smart; João C. Diniz da Costa

    2016-01-01

    This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of ?-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650??C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5?? at carbonisation temperatures of 700??C. The com...

  16. From an equilibrium based MOF adsorbent to a kinetic selective carbon molecular sieve for paraffin/iso-paraffin separation.

    Science.gov (United States)

    Li, Baiyan; Belmabkhout, Youssef; Zhang, Yiming; Bhatt, Prashant M; He, Hongming; Zhang, Daliang; Han, Yu; Eddaoudi, Mohamed; Perman, Jason A; Ma, Shengqian

    2016-11-24

    We unveil a unique kinetic driven separation material for selectively removing linear paraffins from iso-paraffins via a molecular sieving mechanism. Subsequent carbonization and thermal treatment of CD-MOF-2, the cyclodextrin metal-organic framework, afforded a carbon molecular sieve with a uniform and reduced pore size of ca. 5.0 Å, and it exhibited highly selective kinetic separation of n-butane and n-pentane from iso-butane and iso-pentane, respectively.

  17. Carbon-fiber composite molecular sieves for gas separation

    Energy Technology Data Exchange (ETDEWEB)

    Jagtoyen, M.; Derbyshire, F.; Kimber, G.; Fei, Y.Q. [Univ. of Kentucky Center for Applied Energy Research, Lexington, KY (United States)

    1995-08-01

    The progress of research in the development of novel, rigid, monolithic adsorbent carbon fiber composites is described. Carbon fiber composites are produced at ORNL and activated at the CAER using steam or CO{sub 2} under different conditions, with the aims of producing a uniform degree of activation through the material, and of closely controlling pore structure and adsorptive properties The principal focus of the work to date has been to produce materials with narrow porosity for use in gas separations.

  18. Production of carbon molecular sieves from palm shell through carbon deposition from methane

    Directory of Open Access Journals (Sweden)

    Mohammadi Maedeh

    2011-01-01

    Full Text Available The possibility of production of carbon molecular sieve (CMS from palm shell as a waste lignocellulosic biomass was investigated. CMS samples were prepared through heat treatment processes including carbonization, physiochemical activation and chemical vapor deposition (CVD from methane. Methane was pyrolyzed to deposit fine carbon on the pore mouth of palm shell-based activated carbon to yield CMS. All the deposition experiments were performed at 800 ºC, while the methane flow rate (100, 200, 300 mL min-1 CH4 diluted in 500 mL min-1 N2 and deposition time (30 to 60 min were the investigated parameters. The textural characteristics of the CMSs were assessed by N2 adsorption. The largest BET surface area (752 m2 g-1, micropore surface area (902.2 m2 g-1 and micropore volume (0.3466 cm3 g-1 was obtained at the CH4 flow rate of 200 mL min-1 and deposition time of 30 min. However, prolonging the deposition time to 45 min yielded in a micropouros CMS with a narrow pore size distribution.

  19. Carbon-fiber composite molecular sieves for gas separation

    Energy Technology Data Exchange (ETDEWEB)

    Jagtoyen, M.; Derbyshire, F. [Univ. of Kentucky, Lexington, KY (United States)

    1996-08-01

    This report describes continuing work on the activation and characterization of formed carbon fiber composites. The composites are produced at the Oak Ridge National Laboratory (ORNL) and activated at the Center for Applied Energy Research (CAER) using steam, CO{sub 2}, or O{sub 2} at different conditions of temperature and time, and with different furnace configurations. The general aims of the project are to produce uniformly activated samples with controlled pore structures for specialist applications such as gas separation and water treatment. In previous work the authors reported that composites produced from isotropic pitch fibers weighing up to 25g can be uniformly activated through the appropriate choice of reaction conditions and furnace configurations. They have now succeeded in uniformly activating composites of dimensions up to 12 x 7 x 6 cm, or up to about 166 gram - a scale-up factor of about six. Part of the work has involved the installation of a new furnace that can accommodate larger composites. Efforts were made to achieve uniform activation in both steam and CO{sub 2}. The authors have also succeeded in producing materials with very uniform and narrow pore size distributions by using a novel method involving low temperature oxygen chemisorption in combination with heat treatment in N{sub 2} at high temperatures. Work has also started on the activation of PAN based carbon fibers and fiber composites with the aim of producing composites with wide pore structures for use as catalyst supports. So far activation of the PAN fiber composites supplied by ORNL has been difficult which is attributed to the low reactivity of the PAN fibers. As a result, studies are now being made of the activation of the PAN fibers to investigate the optimum carbonization and activation conditions for PAN based fibers.

  20. Fabrication variables affecting the structure and properties of supported carbon molecular sieve membranes for hydrogen separation

    KAUST Repository

    Briceño, Kelly

    2012-10-01

    A high molecular weight polyimide (Matrimid) was used as a precursor for fabricating supported carbon molecular sieve membranes without crack formation at 550-700°C pyrolysis temperature. A one-step polymer (polyimide) coating method as precursor of carbon layer was used without needing a prior modification of a TiO 2 macroporous support. The following fabrication variables were optimized and studied to determine their effect on the carbon structure: polymeric solution concentration, solvent extraction, heating rate and pyrolysis temperature. Two techniques (Thermogravimetric analysis and Raman spectroscopy) were used to determine these effects on final carbon structure. Likewise, the effect of the support was also reported as an additional and important variable in the design of supported carbon membranes. Atomic force microscopy and differential scanning calorimetry quantified the degree of influence. Pure gas permeation tests were performed using CH 4, CO, CO 2 and H 2. The presence of a molecular sieving mechanism was confirmed after defects were plugged with PDMS solution at 12wt%. Gas selectivities higher than Knudsen theoretical values were reached with membranes obtained over 650°C, showing as best values 4.46, 4.70 and 10.62 for H 2/N 2, H 2/CO and H 2/CH 4 ratio, respectively. Permeance values were over 9.82×10 -9mol/(m 2Pas)during pure hydrogen permeation tests. © 2012 Elsevier B.V.

  1. Biomass-based palm shell activated carbon and palm shell carbon molecular sieve as gas separation adsorbents.

    Science.gov (United States)

    Sethupathi, Sumathi; Bashir, Mohammed Jk; Akbar, Zinatizadeh Ali; Mohamed, Abdul Rahman

    2015-04-01

    Lignocellulosic biomass has been widely recognised as a potential low-cost source for the production of high added value materials and proved to be a good precursor for the production of activated carbons. One of such valuable biomasses used for the production of activated carbons is palm shell. Palm shell (endocarp) is an abundant by-product produced from the palm oil industries throughout tropical countries. Palm shell activated carbon and palm shell carbon molecular sieve has been widely applied in various environmental pollution control technologies, mainly owing to its high adsorption performance, well-developed porosity and low cost, leading to potential applications in gas-phase separation using adsorption processes. This mini-review represents a comprehensive overview of the palm shell activated carbon and palm shell carbon molecular sieve preparation method, physicochemical properties and feasibility of palm shell activated carbon and palm shell carbon molecular sieve in gas separation processes. Some of the limitations are outlined and suggestions for future improvements are pointed out. © The Author(s) 2015.

  2. Solid-phase reversible trap for [ sup 1 sup 1 C]carbon dioxide using carbon molecular sieves

    CERN Document Server

    Mock, B H; Mulholland, G T

    1995-01-01

    A simple, maintenance-free trapping technique which concentrates and purifies no-carrier-added sup 1 sup 1 CO sub 2 from gas targets is described. The trap requires no liquid nitrogen cooling and has no moving parts besides solenoid valves. It employs carbon molecular sieves to adsorb sup 1 sup 1 CO sub 2 selectively from gas targets at room temperature. Nitrogen, O sub 2 , CO, NO and moisture in the target gas which could interfere with subsequent radiochemical steps are not retained. Trapping efficiency of 1 g of sieve for sup 1 sup 1 CO sub 2 from a 240 cm sup 3 target gas dump and helium flush cycle is <99%, and the adsorbed sup 1 sup 1 CO sub 2 is recovered quantitatively as a small concentrated bolus from the carbon sieve trap by thermal desorption. This durable trap has performed reliably for more than 1 y with a single charge of carbon sieve. It has simplified the production, and improved the yields of several sup 1 sup 1 C-radiochemicals at this laboratory.

  3. A Virtual Laboratory for the 4 Bed Molecular Sieve of the Carbon Dioxide Removal Assembly

    Science.gov (United States)

    Coker, Robert; Knox, James; O'Connor, Brian

    2016-01-01

    Ongoing work to improve water and carbon dioxide separation systems to be used on crewed space vehicles combines sub-scale systems testing and multi-physics simulations. Thus, as part of NASA's Advanced Exploration Systems (AES) program and the Life Support Systems Project (LSSP), fully predictive COMSOL Multiphysics models of the Four Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS) have been developed. This Virtual Laboratory is being used to help reduce mass, power, and volume requirements for exploration missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future missions as well as the resolution of anomalies observed in the ISS CDRA.

  4. From an equilibrium based MOF adsorbent to a kinetic selective carbon molecular sieve for paraffin/iso-paraffin separation

    KAUST Repository

    Li, Baiyan

    2016-11-04

    We unveil a unique kinetic driven separation material for selectively removing linear paraffins from iso-paraffins via a molecular sieving mechanism. Subsequent carbonization and thermal treatment of CD-MOF-2, the cyclodextrin metal-organic framework, afforded a carbon molecular sieve with a uniform and reduced pore size of ca. 5.0 Å, and it exhibited highly selective kinetic separation of n-butane and n-pentane from iso-butane and iso-pentane, respectively. © The Royal Society of Chemistry.

  5. Carbon molecular sieve membranes derived from Matrimid® polyimide for nitrogen/methane separation

    KAUST Repository

    Ning, Xue

    2014-01-01

    A commercial polyimide, Matrimid® 5218, was pyrolyzed under an inert argon atmosphere to produce carbon molecular sieve (CMS) dense film membranes for nitrogen/methane separation. The resulting CMS dense film separation performance was evaluated using both pure and mixed N2/CH4 permeation tests. The effects of final pyrolysis temperature on N 2/CH4 separation are reported. The separation performance of all CMS dense films significantly exceeds the polymer precursor dense film. The CMS dense film pyrolyzed at 800 C shows very attractive separation performance that surpasses the polymer membrane upper bound line, with N 2 permeability of 6.8 Barrers and N2/CH4 permselectivity of 7.7 from pure gas permeation, and N2 permeability of 5.2 Barrers and N2/CH4 permselectivity of 6.0 from mixed gas permeation. The temperature dependences of permeabilities, sorption coefficients, and diffusion coefficients of the membrane were studied, and the activation energy for permeation and diffusion, as well as the apparent heats of sorption are reported. The high permselectivity of this dense film is shown to arise from a significant entropic contribution in the diffusion selectivity. The study shows that the rigid \\'slit-shaped\\' CMS pore structure can enable a strong molecular sieving effect to effectively distinguish the size and shape difference between N2 and CH4. © 2013 Elsevier Ltd. All rights reserved.

  6. Equilibrium and kinetics of water adsorption in carbon molecular sieve: theory and experiment.

    Science.gov (United States)

    Rutherford, S W; Coons, J E

    2004-09-28

    Measurements of water adsorption equilibrium and kinetics in Takeda carbon molecular sieve (CMS) were undertaken in an effort to characterize fundamental mechanisms of adsorption and transport. Adsorption equilibrium revealed a type III isotherm that was characterized by cooperative multimolecular sorption theory. Water adsorption was found to be reversible and did not display hysteresis upon desorption over the conditions studied. Adsorption kinetics measurements revealed that a Fickian diffusion mechanism governed the uptake of water and that the rate of adsorption decreased with increasing relative pressure. Previous investigations have attributed the observed decreasing trend in the rate of adsorption to blocking of micropores. Here, it is proposed that the decrease is attributed to the thermodynamic correction to Fick's law which is formulated on the basis of the chemical potential as the driving force for transport. The thermodynamically corrected formulation accounted for observations of transport of water and other molecules in CMS.

  7. A Pilot-Scale System for Carbon Molecular Sieve Hollow Fiber Membrane Manufacturing

    KAUST Repository

    Karvan, O.

    2012-12-21

    Carbon molecular sieve (CMS) membranes offer advantages over traditional polymeric membrane materials, but scale-up of manufacturing systems has not received much attention. In the recent decade, there has been a dramatic increase in fundamental research on these materials with a variety of applications being studied. The results from a pilot-scale CMS production system are presented. This system was designed based on extensive laboratory research, and hollow fiber membranes produced in this system show similar performance compared to membranes produced using a smaller bench-scale system. After optimizing the system design, a 93% recovery of the precursor fibers for use in membrane module preparation were obtained. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Correlation Between Pyrolysis Atmosphere and Carbon Molecular Sieve Membrane Performance Properties

    KAUST Repository

    Kiyono, Mayumi

    2011-01-01

    Carbon molecular sieve (CMS) membranes have attractive separation performance properties, greatly exceeding an "upper bound" trade-off curve of polymeric membrane performance. CMS membranes are prepared by pyrolyzing polymers, well above their glass transition temperatures. Multiple factors, such as polymer precursor and pyrolysis protocol, are known to affect the separation performance. In this study, a correlation observed between pyrolysis atmosphere and CMS separation performance properties is discussed. Specifically, oxygen exposure during the pyrolysis process is the focus. The theory and details of the oxygen exposure and development of a new CMS preparation method using oxygen as a "dopant" will be described with a strong correlation observed with separation performance for CMS membranes prepared with various polymer precursors. In addition, study of possible mass transfer limitations on the oxygen "doping" process will be described to clarify the basis for the equilibrium-based interpretation of doping data. The method is also explored by changing the pyrolysis temperature. © 2011 Elsevier B.V.

  9. Mesoporous molecular sieve catalysts

    DEFF Research Database (Denmark)

    Højholt, Karen Thrane

    This thesis deals with a very specific class of molecular sieves known as zeolites. Zeolites are a class of crystalline aluminosilicates characterised by pores or cavities of molecular dimensions as part of their crystal structure. In this work zeolites were modified for the use and understanding...... of different catalytic applications. Primarily the zeolites were modified regarding the porosity and the introduction of metals to the framework. The obtained materials were used as solid acid catalysts, as an inert matrix for stabilising metal nanoparticles and as an anchoring material for molecular metal...... be used as solid acid catalysts but can also be used as a size-selective matrix. It was shown that it is possible to encapsulate 1-2 nm sized gold nanoparticles by silicalite-1 or ZSM-5 zeolite crystals thereby forming a sintering-stable and substrate size-selective oxidation catalyst. After carrying out...

  10. Enhanced Molecular Sieve CO2 Removal Evaluation

    Science.gov (United States)

    Rose, Susan; ElSherif, Dina; MacKnight, Allen

    1996-01-01

    The objective of this research is to quantitatively characterize the performance of two major types of molecular sieves for two-bed regenerative carbon dioxide removal at the conditions compatible with both a spacesuit and station application. One sorbent is a zeolite-based molecular sieve that has been substantially improved over the materials used in Skylab. The second sorbent is a recently developed carbon-based molecular sieve. Both molecular sieves offer the potential of high payoff for future manned missions by reducing system complexity, weight (including consumables), and power consumption in comparison with competing concepts. The research reported here provides the technical data required to improve CO2 removal systems for regenerative life support systems for future IVA and EVA missions.

  11. Ultraselective Carbon Molecular Sieve Membranes with Tailored Synergistic Sorption Selective Properties.

    Science.gov (United States)

    Zhang, Chen; Koros, William J

    2017-09-01

    Membrane-based separations can reduce the energy consumption and the CO2 footprint of large-scale fluid separations, which are traditionally practiced by energy-intensive thermally driven processes. Here, a new type of membrane structure based on nanoporous carbon is reported, which, according to this study, is best referred to as carbon/carbon mixed-matrix (CCMM) membranes. The CCMM membranes are formed by high-temperature (up to 900 °C) pyrolysis of polyimide precursor hollow-fiber membranes. Unprecedentedly high permselectivities are seen in CCMM membranes for CO2 /CH4 , N2 /CH4 , He/CH4 , and H2 /CH4 separations. Analysis of permeation data suggests that the ultrahigh selectivities result from substantially increased sorption selectivities, which is hypothetically owing to the formation of ultraselective micropores that selectively exclude the bulkier CH4 molecules. With tunable sorption selectivities, the CCMM membranes outperform flexible polymer membranes and traditional rigid molecular-sieve membranes. The capability to increase sorption selectivities is a powerful tool to leverage diffusion selectivities, and has opened the door to many challenging and economically important fluid separations that require ultrafine differentiation of closely sized molecules. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. High-surface-area carbon molecular sieves for selective CO(2) adsorption.

    Science.gov (United States)

    Wahby, Anass; Ramos-Fernández, José M; Martínez-Escandell, Manuel; Sepúlveda-Escribano, Antonio; Silvestre-Albero, Joaquín; Rodríguez-Reinoso, Francisco

    2010-08-23

    A series of carbon molecular sieves (CMSs) has been prepared, either as powders or monoliths, from petroleum pitch using potassium hydroxide as the activating agent. The CMS monoliths are prepared without the use of a binder based on the self-sintering ability of the mesophase pitch. Characterization results show that these CMSs combine a large apparent surface area (up to ca. 3100 m(2) g(-1)) together with a well-developed narrow microporosity (V(n) up to ca. 1.4 cm(3) g(-1)). The materials exhibit high adsorption capacities for CO(2) at 1 bar and 273 K (up to ca. 380 mg CO(2) g sorbent(-1)). To our knowledge, this is the best result obtained for CO(2) adsorption using carbon-based materials. Furthermore, although the CO(2) adsorption capacity for activated carbons has usually been considered lower than that of zeolites, the reported values exceed the total amount adsorbed on traditional 13X and 5A zeolites (ca. 230 mg and 180 mg CO(2) g sorbent(-1), respectively), under identical experimental conditions. Additionally, the narrow pore openings found in the CMS samples (ca. 0.4 nm) allows for the selective adsorption of CO(2) from molecules of similar dimensions (e.g., CH(4) and N(2)).

  13. Kinetic isotope effect for H2 and D2 quantum molecular sieving in adsorption/desorption on porous carbon materials.

    Science.gov (United States)

    Zhao, Xuebo; Villar-Rodil, Silvia; Fletcher, Ashleigh J; Thomas, K Mark

    2006-05-25

    Adsorption and desorption of H(2) and D(2) from porous carbon materials, such as activated carbon at 77 K, are usually fully reversible with very rapid adsorption/desorption kinetics. The adsorption and desorption of H(2) and D(2) at 77 K on a carbon molecular sieve (Takeda 3A), where the kinetic selectivity was incorporated by carbon deposition, and a carbon, where the pore structure was modified by thermal annealing to give similar pore structure characteristics to the carbon molecular sieve substrate, were studied. The D(2) adsorption and desorption kinetics were significantly faster (up to x1.9) than the corresponding H(2) kinetics for specific pressure increments/decrements. This represents the first experimental observation of kinetic isotope quantum molecular sieving in porous materials due to the larger zero-point energy for the lighter H(2), resulting in slower adsorption/desorption kinetics compared with the heavier D(2). The results are discussed in terms of the adsorption mechanism.

  14. Adsorption and Diffusion of Oxygen, Nitrogen, Methane and Argon in Molecular Sieve Carbons

    Science.gov (United States)

    1990-04-01

    equal to i/(qmb) and a y-axis intercept equal to i/qm. Type I isotherms are frequently encountered with adsorbents such as charcoal and zeolite 13X . The...of a zeolite sieve. Nevertheless, the remarkably high kinetic selectivity which may be attained with a well-prepared carbon sieve coupled with its...assembly 3. Sample 8. Zeolite trap 4. Thermocouples 9. Cold trap 5. Gas reservoir 10. Turbomolecular pump ii. Insulated box Figure 3. Schematic of the low

  15. Adsorption equilibrium and thermodynamics of CO2 and CH4 on carbon molecular sieves

    Science.gov (United States)

    Song, Xue; Wang, Li'ao; Ma, Xu; Zeng, Yunmin

    2017-02-01

    Carbon molecular sieves (CMS) are widely used in the separation of dioxide carbon and methane. In this research, three commercial CMS were utilized to analyze the pore structure and chemical properties. The adsorption isotherms of CO2 and CH4 were studied at 298 K, 308 K and 318 K over the pressure range of 0-1 MPa by an Intelligent Gravimetric analysis (IGA-100B, UK). Langmuir model was adopted to fit the experimental data. The working capacity and selectivity were employed to evaluate the adsorbents. The adsorption thermodynamics were discussed. The adsorbed amounts of both CO2 and CH4 are found to be highly related with the BET specific surface area and the volume of micropores, and also are interrelated with the total pore volume and micropore surface area. The standard enthalpy change (ΔHΘ), standard Gibbs free energy (ΔGΘ) and standard entropy change (ΔSΘ) at zero surface loading are negative, manifesting the adsorption process is exothermic and spontaneous, and the system tends to be ordered. With the increasing surface coverage, the absolute values of Gibbs free energy (ΔG) decrease whereas the absolute values of enthalpy change (ΔH) and entropy change(ΔS) increase. This indicates that as the adsorbed amount increases, the degree of the spontaneity reduces, the intermolecular forces among the adsorbate molecules increase, the orderliness of the system improves and the adsorbed amount approaches the maximum adsorbed capacity.

  16. Sorbate Transport in Carbon Molecular Sieve Membranes and FAU/EMT Intergrowth by Diffusion NMR

    Directory of Open Access Journals (Sweden)

    John J. Low

    2012-02-01

    Full Text Available In this paper we present and discuss selected results of our recent studies of sorbate self-diffusion in microporous materials. The main focus is given to transport properties of carbon molecular sieve (CMS membranes as well as of the intergrowth of FAU-type and EMT-type zeolites. CMS membranes show promise for applications in separations of mixtures of small gas molecules, while FAU/EMT intergrowth can be used as an active and selective cracking catalyst. For both types of applications diffusion of guest molecules in the micropore networks of these materials is expected to play an important role. Diffusion studies were performed by a pulsed field gradient (PFG NMR technique that combines advantages of high field (17.6 T NMR and high magnetic field gradients (up to 30 T/m. This technique has been recently introduced at the University of Florida in collaboration with the National Magnet Lab. In addition to a more conventional proton PFG NMR, also carbon-13 PFG NMR was used.

  17. Carbon molecular sieve gas separation membranes based on an intrinsically microporous polyimide precursor

    KAUST Repository

    Ma, Xiaohua

    2013-10-01

    We report the physical characteristics and gas transport properties for a series of pyrolyzed membranes derived from an intrinsically microporous polyimide containing spiro-centers (PIM-6FDA-OH) by step-wise heat treatment to 440, 530, 600, 630 and 800 C, respectively. At 440 C, the PIM-6FDA-OH was converted to a polybenzoxazole and exhibited a 3-fold increase in CO2 permeability (from 251 to 683 Barrer) with a 50% reduction in selectivity over CH4 (from 28 to 14). At 530 C, a distinct intermediate amorphous carbon structure with superior gas separation properties was formed. A 56% increase in CO2-probed surface area accompanied a 16-fold increase in CO2 permeability (4110 Barrer) over the pristine polymer. The graphitic carbon membrane, obtained by heat treatment at 600 C, exhibited excellent gas separation properties, including a remarkable CO2 permeability of 5040 Barrer with a high selectivity over CH4 of 38. Above 600 C, the strong emergence of ultramicroporosity (<7 Å) as evidenced by WAXD and CO2 adsorption studies elicits a prominent molecular sieving effect, yielding gas separation performance well above the permeability-selectivity trade-off curves of polymeric membranes. © 2013 Elsevier Ltd. All rights reserved.

  18. Sorbate Transport in Carbon Molecular Sieve Membranes and FAU/EMT Intergrowth by Diffusion NMR.

    Science.gov (United States)

    Mueller, Robert; Kanungo, Rohit; Menjoge, Amrish; Kiyono-Shimobe, Mayumi; Koros, William J; Bradley, Steven A; Galloway, Douglas B; Low, John J; Prabhakar, Sesh; Vasenkov, Sergey

    2012-02-14

    In this paper we present and discuss selected results of our recent studies of sorbate self-diffusion in microporous materials. The main focus is given to transport properties of carbon molecular sieve (CMS) membranes as well as of the intergrowth of FAU-type and EMT-type zeolites. CMS membranes show promise for applications in separations of mixtures of small gas molecules, while FAU/EMT intergrowth can be used as an active and selective cracking catalyst. For both types of applications diffusion of guest molecules in the micropore networks of these materials is expected to play an important role. Diffusion studies were performed by a pulsed field gradient (PFG) NMR technique that combines advantages of high field (17.6 T) NMR and high magnetic field gradients (up to 30 T/m). This technique has been recently introduced at the University of Florida in collaboration with the National Magnet Lab. In addition to a more conventional proton PFG NMR, also carbon-13 PFG NMR was used.

  19. Effects of polyimide pyrolysis conditions on carbon molecular sieve membrane properties

    Energy Technology Data Exchange (ETDEWEB)

    Geiszler, V.C.; Koros, W.J. [Univ. of Texas, Austin, TX (United States)

    1996-09-01

    In previous research, carbon molecular sieve (CMS) membranes for gas separations have been produced using either a vacuum pyrolysis or an inert purge pyrolysis technique on a precursor which is often polymeric. This study compares both techniques using the same polyimide precursor material. Additional pyrolysis variables included the type of inert purge gas (argon, helium, and carbon dioxide), purge flow rate, and temperature. Vacuum pyrolysis produced more selective but less productive CMS membranes than the inert purge pyrolyzed membranes. High purge gas flow rates (i.e., 200 standard cubic centimeters per minute or cm{sup 3}(STP)/min) produced a much higher permeability, but lower selectivity membrane compared to those produced in a low purge flow rate (20 cm{sup 3}(STP)/min). By raising the pyrolysis temperature from 550 to 800 C, the effective pore size was reduced, thereby making the CMS membranes more selective but less productive. Mixed gas tests using oxygen/nitrogen and hydrogen/nitrogen mixtures were used to evaluate membrane performance.

  20. Carbon molecular sieve membranes: a promising alternative for selected industrial applications.

    Science.gov (United States)

    Hägg, May-Britt; Lie, Jon A; Lindbråthen, Arne

    2003-03-01

    Carbon molecular sieve (CMS) membranes (hollow fibers) have been studied for application as possible separation units for selected industrial gas streams. Gas streams at petrochemical plants (polypropene and polyethene) and upgrading of biogas to fuel specifications have been in focus. Gases present in biogas (N(2), CO(2), H(2)O(vap), and CH(4)) and gas streams at polyolefin plants (C(2)H(4), C(3)H(6), and C(3)H(8)) have been measured; both as pure gases and in mixtures. Aging of the CMS-membranes as a function of humidity and pore blocking is discussed; likewise, possible regeneration methods when flux decrease is experienced. Transport mechanisms depending on pore size and molecular properties are also discussed. Excellent separation properties were documented for these applications, but also the need for frequent regeneration of the membrane in order to maintain permeability flux. The mixed gas experiments documented clearly the need for careful pore tailoring in order to optimize selectivity when the membranes were used for alkane-alkene separation.

  1. Enhanced anion electroadsorption into carbon molecular sieve electrodes in acidic media.

    Science.gov (United States)

    Eliad, Linoam; Salitra, Gregory; Pollak, Elad; Soffer, Abraham; Aurbach, Doron

    2005-11-08

    We previously showed that, for neutral electrolytes of small cations and relatively larger anions, it is possible to design certain pore sizes in active carbons that are large enough to electroadsorb cations but too small to allow anion electroadsorption. This situation leads to an electrical double-layer (EDL) capacitance that is significant only at potentials that are negative to the potential of zero charge (PZC); hence, much smaller capacitance is measured at potentials positive to the PZC. It was found that when the electrolyte is a strong acid (e.g., H(2)SO(4), HCl), a considerable capacitance is observed at positive potentials, even when the average pore size is too small to allow the insertion of large anions in neutral electrolyte solutions. This effect disappears when the pore size becomes considerably larger than the size of the ions. In this case, the EDL capacitance at positive potentials for both neutral and acidic solutions is comparable. The following four-step mechanism was found to comply best with the experimental data: (1) By acid catalysis, the protons form carbonium species within the conjugated carbon network. (2) The anions react with the carbonium ions, providing uncharged species in an activated state, which are chemibound as surface groups to the walls of the pores. (3) Because these surface groups are effectively much smaller in size than are the charged ions, they can migrate by chemical bond exchange within the carbon skeleton via constrictions (known to exist in microporous and molecular sieving carbons), which are too narrow to accommodate hydrated charged species. (4) Upon reaching wider spaces, the uncharged species are reionized and solvated by water molecules, which can fill small pores. The justification for the above mechanism is thoroughly discussed and demonstrated by the experimental results.

  2. The breakthrough curve combination for xenon sampling dynamics in a carbon molecular sieve column.

    Science.gov (United States)

    Shu-jiang, Liu; Zhan-ying, Chen; Yin-zhong, Chang; Shi-lian, Wang; Qi, Li; Yuan-qing, Fan; Huai-mao, Jia; Xin-jun, Zhang; Yun-gang, Zhao

    2015-01-21

    In the research of xenon sampling and xenon measurements, the xenon breakthrough curve plays a significant role in the xenon concentrating dynamics. In order to improve the theoretical comprehension of the xenon concentrating procedure from the atmosphere, the method of the breakthrough curve combination for sampling techniques should be developed and investigated under pulse injection conditions. In this paper, we describe a xenon breakthrough curve in a carbon molecular sieve column, the combination curve method for five conditions is shown and debated in detail; the fitting curves and the prediction equations are derived in theory and verified by the designed experiments. As a consequence, the curves of the derived equations are in good agreement with the fitting curves by tested. The retention times of the xenon in the column are 61.2, 42.2 and 23.5 at the flow rate of 1200, 1600 and 2000 mL min(-1), respectively, but the breakthrough times are 51.4, 38.6 and 35.1 min.

  3. Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes

    Science.gov (United States)

    Song, Yingjun; Wang, David K.; Birkett, Greg; Martens, Wayde; Duke, Mikel C.; Smart, Simon; Diniz da Costa, João C.

    2016-07-01

    This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of α-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650 °C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5 Å at carbonisation temperatures of 700 °C. The combination of vacuum-assisted impregnation and carbonisation led to the formation of mixed matrix of CMS and α-alumina particles (CMS-Al2O3) in a single membrane. These membranes were tested for pervaporative desalination and gave very high water fluxes of up to 25 kg m-2 h-1 for seawater (NaCl 3.5 wt%) at 75 °C. Salt rejection was also very high varying between 93-99% depending on temperature and feed salt concentration. Interestingly, the water fluxes remained almost constant and were not affected as feed salt concentration increased from 0.3, 1 and 3.5 wt%.

  4. Extension of the Dubinin-Astakhov equation for evaluating the micropore size distribution of a modified carbon molecular sieve.

    Science.gov (United States)

    Gil, A; Korili, S A; Cherkashinin, G Yu

    2003-06-15

    A new method for the characterization of the pore size distribution of microporous solids is applied on data obtained for activated carbon molecular sieve samples. In this method, based on the Dubinin-Astakhov equation, a simple numerical algorithm is used for the reconstruction of the micropore size distribution from the integral equation that represents the experimental nitrogen adsorption isotherm. The results are compared with the ones obtained on the basis of the well-known Horvath-Kawazoe method. The samples used in this study come from a carbon molecular sieve that has been treated with solutions of concentrated HNO3 at various temperatures and with solutions of H2O2 of various concentrations.

  5. High performance carbon molecular sieving membranes derived from pyrolysis of metal-organic framework ZIF-108 doped polyimide matrices.

    Science.gov (United States)

    Jiao, Wenmei; Ban, Yujie; Shi, Zixing; Jiang, Xuesong; Li, Yanshuo; Yang, Weishen

    2016-12-11

    Carbon molecular sieve membranes (CMSMs) were fabricated by pyrolysis of MOF-doped polyimide mixed matrix membranes. ZIF-108 (Zn(2-nitroimidazolate)2) was used as a dopant to tailor the micropores of the as-prepared CMSMs into narrow ultramicropores, providing a remarkable combination of permeability and selectivity of membranes in CO2/CH4, O2/N2 and N2/CH4 separation.

  6. Composite-alumina-carbon molecular sieve membranes prepared from novolac resin and boehmite. Part II: Effect of the carbonization temperature on the gas permeation properties

    OpenAIRE

    Llosa Tanco, Margot A.; David A. Pacheco Tanaka; Mendes, Adelio

    2015-01-01

    The influence of carbonization temperature on the permeation properties and aging of thin (4 mm) supported carbon molecular sieve membranes (c-CMSM), prepared from in house synthesized novolac phenolic resin loaded with boehmite nanoparticles, were studied. Just after membrane carbonization (fresh membrane), high permeance to N2 and O2 and low O2/ N2 permselectivities were observed; the highest permeations were observed for carbonization end temperatures between 500 C and 700 C. After leavi...

  7. Matrimid® derived carbon molecular sieve hollow fiber membranes for ethylene/ethane separation

    KAUST Repository

    Xu, Liren

    2011-09-01

    Carbon molecular sieve (CMS) membranes have shown promising separation performance compared to conventional polymeric membranes. Translating the very attractive separation properties from dense films to hollow fibers is important for applying CMS materials in realistic gas separations. The very challenging ethylene/ethane separation is the primary target of this work. Matrimid® derived CMS hollow fiber membranes have been investigated in this work. Resultant CMS fiber showed interesting separation performance for several gas pairs, especially high selectivity for C2H4/C2H6. Our comparative study between dense film and hollow fiber revealed very similar selectivity for both configurations; however, a significant difference exists in the effective separation layer thickness between precursor fibers and their resultant CMS fibers. SEM results showed that the deviation was essentially due to the collapse of the porous substructure of the precursor fiber. Polymer chain flexibility (relatively low glass transition temperature (Tg) for Matrimid® relative to actual CMS formation) appears to be the fundamental cause of substructure collapse. This collapse phenomenon must be addressed in all cases involving intense heat-treatment near or above Tg. We also found that the defect-free property of the precursor fiber was not a simple predictor of CMS fiber performance. Even some precursor fibers with Knudsen diffusion selectivity could be transformed into highly selective CMS fibers for the Matrimid® precursor. To overcome the permeance loss problem caused by substructure collapse, several engineering approaches were considered. Mixed gas permeation results under realistic conditions demonstrate the excellent performance of CMS hollow fiber membrane for the challenging ethylene/ethane separation. © 2011 Elsevier B.V.

  8. Carbon molecular sieve dense film membranes derived from Matrimid® for ethylene/ethane separation

    KAUST Repository

    Rungta, Meha

    2012-04-01

    Development of dense film carbon molecular sieve (CMS) membranes for ethylene/ethane (C 2H 4/C 2H 6) separation is reported. A commercial polyimide, Matrimid®, was pyrolyzed under vacuum and inert argon atmosphere, and the resultant CMS films were characterized using pure C 2H 4 and C 2H 6 permeation at 35 °C, 50 psia feed pressure. The effects on C 2H 4/C 2H 6 separation caused by different final vacuum pyrolysis temperatures from 500 to 800 °C are reported. For all pyrolysis temperatures separation surpassed the estimated \\'upper bound\\' solution processable polymer line for C 2H 4 permeability vs. C 2H 4/C 2H 6 selectivity. C 2H 4 permeability decreased and selectivity increased with increasing pyrolysis temperature until 650-675 °C where an optimum combination of C 2H 4 permeability ∼14-15 Barrer with C 2H 4/C 2H 6 selectivity ∼12 was observed. A modified heating rate protocol for 675 °C showed further increase in permeability with no selectivity loss. CMS films produced from argon pyrolysis showed results comparable to vacuum pyrolysis. Further, mixed gas (63.2 mol% C 2H 4 + 36.8 mol% C 2H 6) permeation showed a slightly lower C 2H 4 permeability with C 2H 4/C 2H 6 selectivity increase rather than a decrease that is often seen with polymers. The high selectivity of these membranes was shown to arise from a high \\'entropic selection\\' indicating that the \\'slimmer\\' ethylene molecule has significant advantage over ethane in passing through the rigid \\'slit-shaped\\' CMS pore structure. © 2011 Elsevier Ltd. All rights reserved.

  9. Diffusion of methane and carbon dioxide in carbon molecular sieve membranes by multinuclear pulsed field gradient NMR.

    Science.gov (United States)

    Mueller, Robert; Kanungo, Rohit; Kiyono-Shimobe, Mayumi; Koros, William J; Vasenkov, Sergey

    2012-07-10

    Carbon molecular sieve (CMS) membranes are promising materials for energy efficient separations of light gases. In this work, we report a detailed microscopic study of carbon dioxide and methane self-diffusion in three CMS membrane derived from 6FDA/BPDA(1:1)-DAM and Matrimid polymers. In addition to diffusion of one-component sorbates, diffusion of a carbon dioxide/methane mixture was investigated. Self-diffusion studies were performed by the multinuclear (i.e., (1)H and (13)C) pulsed field gradient (PFG) NMR technique which combines the advantages of high field (17.6 T) NMR and high magnetic field gradients (up to 30 T/m). Diffusion measurements were carried out at different temperatures and for a broad range of the root-mean-square displacements of gas molecules inside the membranes. The diffusion data obtained from PFG NMR are compared with the corresponding results of membrane permeation measurements reported previously for the same membrane types. The observed differences between the transport diffusivities and self-diffusion coefficients of carbon dioxide and methane are discussed.

  10. Investigations to improve carbon dioxide control with amine and molecular sieve type sorbers

    Science.gov (United States)

    Bertrand, J. F.; Brose, H. F.; Kester, F. L.; Lunde, P. J.

    1972-01-01

    The optimization trends and operating parameters of an integral molecular sieve bed heat exchanger were investigated. The optimum combination of substrate and coating for the HS-B porous polymer was determined based on the CO2 dynamic capacity in the presence of water vapor. Full size HS-B canister performance was evaluated. An Amine CO2 Concentrator utilizing IR-45 sorber material and available Manned Orbiting Laboratory hardware was designed, fabricated and tested for use as an experiment in the NASA 90-day space simulator test of 1970. It supported four men in the simulator for 71 days out of the 90-day test duration.

  11. Ni (II) decorated nano silicoaluminophosphate molecular sieves ...

    Indian Academy of Sciences (India)

    Ni(II) decorated nano silicoaluminophosphate molecular sieves-modified carbon paste electrode as an electrocatalyst for electrooxidation of methanol ... of Science, Babol University of Technology, Babol 47148-71167, Iran; Biofuel & Renewable Energy Research Center, Faculty of Chemical Engineering, Babol University ...

  12. Water vapor adsorption capacity of thermally fluorinated carbon molecular sieves for C[O.sub.2] capture

    National Research Council Canada - National Science Library

    Jung, Jin-Young; Yu, Hye-Ryeon; In, Se Jin; Choi, Young Chul; Lee, Young-Seak

    2013-01-01

    ..., and molecular sieves have been extensively used as selective adsorbents because of their controllable pore structures and surface properties, which can be used to selectively capture C[O.sub.2] [3, 4]. Among these adsorbents, molecular sieves have the ability to selectively absorb specific components of gaseous mixtures because of their porous structures,...

  13. Thermal and catalytic degradation of polyethylene wastes in the presence of silica gel, 5A molecular sieve and activated carbon.

    Science.gov (United States)

    González, Yovana Sander; Costa, Carlos; Márquez, M Carmen; Ramos, Pedro

    2011-03-15

    A comparative study of thermal and catalytic degradation of polyethylene wastes has been carried out with the aim of obtaining chemical compounds with potential use in the chemical industry and the energy production. Polyethylene wastes were obtained from polyethylene bags used in supermarkets. Catalysts utilized in the study were silica gel, 5A molecular sieve and activated carbon. The pyrolysis was performed in a batch reactor at 450, 500 and 700 °C during 2h for each catalyst. The ratio catalyst/PE was 10% w/w and the solid and gaseous products were analyzed by gas chromatography and mass spectrometry. The optimum operation temperature and the influence of the three catalysts are discussed with regards to the products formed. The best temperature for degradation with silica gel and activated carbon as catalysts was 450 °C and with 5A molecular sieve was 700 °C. Degradation products of PE (solid fraction and gas fraction) are depending on temperature and catalyst used. External surface and structure of catalysts were visualized by Scanning Electron Microscopy (SEM) and the contribution on product distribution is commented. All products from different degradations could be used as feed stocks in chemical industry or in energy production based on the value of heat of combustion for solid fraction (45000 J/g), similar to the heat of combustion of commercial fuels. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Carbon Molecular Sieve Membrane as a True One Box Unit for Large Scale Hydrogen Production

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Paul

    2012-05-01

    IGCC coal-fired power plants show promise for environmentally-benign power generation. In these plants coal is gasified to syngas then processed in a water gas-shift (WGS) reactor to maximize the hydrogen/CO{sub 2} content. The gas stream can then be separated into a hydrogen rich stream for power generation and/or further purified for sale as a chemical and a CO{sub 2} rich stream for the purpose of carbon capture and storage (CCS). Today, the separation is accomplished using conventional absorption/desorption processes with post CO{sub 2} compression. However, significant process complexity and energy penalties accrue with this approach, accounting for ~20% of the capital cost and ~27% parasitic energy consumption. Ideally, a one-box process is preferred in which the syngas is fed directly to the WGS reactor without gas pre-treatment, converting the CO to hydrogen in the presence of H{sub 2}S and other impurities and delivering a clean hydrogen product for power generation or other uses. The development of such a process is the primary goal of this project. Our proposed "one-box" process includes a catalytic membrane reactor (MR) that makes use of a hydrogen-selective, carbon molecular sieve (CMS) membrane, and a sulfur-tolerant Co/Mo/Al{sub 2}O{sub 3} catalyst. The membrane reactor's behavior has been investigated with a bench top unit for different experimental conditions and compared with the modeling results. The model is used to further investigate the design features of the proposed process. CO conversion >99% and hydrogen recovery >90% are feasible under the operating pressures available from IGCC. More importantly, the CMS membrane has demonstrated excellent selectivity for hydrogen over H{sub 2}S (>100), and shown no flux loss in the presence of a synthetic "tar"-like material, i.e., naphthalene. In summary, the proposed "one-box" process has been successfully demonstrated with the bench-top reactor. In parallel we have successfully designed and

  15. Adsorption equilibrium and transport kinetics for a range of probe gases in Takeda 3A carbon molecular sieve.

    Science.gov (United States)

    Rutherford, S W; Coons, J E

    2005-04-15

    Measurements of adsorption equilibria and transport kinetics for argon, oxygen and nitrogen at 20, 50, and 80 degrees C on commercially derived Takeda carbon molecular sieve (CMS) employed for air separation have been undertaken in an effort to elucidate fundamental mechanisms of transport. Results indicate that micropore diffusion which is modeled by a Fickian diffusion process, governs the transport of oxygen molecules and the pore mouth barrier controls argon and nitrogen transport which is characterized by a linear driving force (LDF) model. For the three temperatures studied, the pressure dependence of the diffusivity and the LDF rate constant appear to be well characterized by a formulation based on the chemical potential as the driving force for transport. Isosteric heat of adsorption at zero loading and activation energy measurements are compared with predictions made from a previously proposed molecular model for characterizing CMS.

  16. Production of carbon molecular sieves from Illinois coal. [Quarterly] technical report, March 1, 1993--May 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Lizzio, A.A.; Rostam-Abadi, M. [Illinois State Geological Survey, Champaign, IL (United States)

    1993-09-01

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for use in gas separation and recover processes. The overall objective of this project is to determine whether Illinois Basin coals are suitable feedstocks for the production of CMS and to evaluate the potential application of these products in commercial gas separation processes. In Phase I of this project, gram quantities of char were prepared from Illinois coal in a fixed-bed reactor under a wide range of pyrolysis and activation conditions. Chars having surface areas of 1500--2100 m{sup 2}/g were produced by chemical activation using potassium hydroxide (KOH) as the activant. These high surface area chars had more than twice the adsorption capacity of commercial molecular sieves. The kinetics of adsorption of various gases, e.g., N{sub 2}, O{sub 2}, CO{sub 2}, CH{sub 4}, CO and H{sub 2}, on these chars at 25{degrees}C was determined. Several chars showed good potential for efficient O{sub 2}/N{sub 2}, CO{sub 2}/CH{sub 4} and CH{sub 4}/H{sub 2} separation; both a high adsorption capacity and selectivity were achieved. The full potential of these materials in commercial gas separations has yet to be realized. In Phase II of this project, larger quantities of char are being prepared from Illinois coal in a batch fluidized-bed reactor and in a continuous rotary tube kiln.

  17. Competitive adsorption behaviors of carbon dioxide and n-dodecane mixtures in 13X molecular sieve

    Science.gov (United States)

    Zhu, Chaofan; Dong, Mingzhe; Gong, Houjian

    2018-01-01

    The CO2 cyclic injection has been proven to be effective to enhance tight oil recovery under constant reservoir temperature and down hole pressure conditions. However, the enhance tight oil recovery mechanism was unclear, especially the adsorption of the CO2 and alkane in the surface. Therefore, it is great important to study the adsorption mechanism of CO2 and alkane mixtures in tight oil. In this study, a new experimental method and apparatus have been designed to test the change of the mole fraction of CO2 and n-C12 before and after the adsorption equilibrium. Then, the adsorption amount of CO2 and n-C12 was obtained by a mathematical method. Moreover, the adsorption character of CO2 and n-C12 mixtures in 13X molecular sieve and the effect of pressure on the adsorption and amount were studied. The results show that the adsorption of CO2 and the desorption of n-C12 follow the Langmuir adsorption. This study provides a straightforward method to experimentally determine the adsorption properties of the tight oil, which can be used to evaluate enhanced tight oil recovery by CO2 injection.

  18. Decolorization/Deodorization of Zein via Activated Carbons and Molecular Sieves

    Science.gov (United States)

    A series of commercial activated carbons generated from different media and selective microporous zeolites with different pore sizes were used in a batch system to sequester the low molecular weight odor and color contaminants in commercial zein products. Because the adsorbents can also adsorb prot...

  19. Exploring molecular sieve capabilities of activated carbon fibers to reduce the impact of NOM preloading on trichloroethylene adsorption.

    Science.gov (United States)

    Karanfil, Tanju; Dastgheib, Seyed A; Mauldin, Dina

    2006-02-15

    Adsorption of trichloroethylene (TCE) by two activated carbon fibers (ACFs) and two granular activated carbons (GACs) preloaded with hydrophobic and transphilic fractions of natural organic matter (NOM) was examined. ACF10, the most microporous activated carbon used in this study, had over 90% of its pore volume in pores smaller than 10 A. It also had the highest volume in pores 5-8 A, which is the optimum pore size region for TCE adsorption, among the four activated carbons. Adsorption of NOM fractions by ACF10 was, in general, negligible. Therefore, ACF10, functioning as a molecular sieve during preloading, exhibited the least NOM uptake for each fraction, and subsequently the highest TCE adsorption. The other three sorbents had wider pore size distributions, including high volumes in pores larger than 10 A, where NOM molecules can adsorb. As a result, they showed a higher degree of uptake for all NOM fractions, and subsequently lower adsorption capacities for TCE, as compared to ACF10. The results obtained in this study showed that understanding the interplay between the optimum pore size region for the adsorption of target synthetic organic contaminant (SOC) and the pore size region for the adsorption of NOM molecules is important for controlling NOM-SOC competitions. Experiments with different NOM fractions indicated that the degree of NOM loading is important in terms of preloading effects; however the waythatthe carbon pores are filled and loaded by different NOM fractions can be different and may create an additional negative impact on TCE adsorption.

  20. Gas Separation Performance of Carbon Molecular Sieve Membranes Based on 6FDA-mPDA/DABA (3:2) Polyimide

    KAUST Repository

    Qiu, Wulin

    2014-02-23

    6FDA-mPDA/DABA (3:2) polyimide was synthesized and characterized for uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes. The membranes were characterized with thermogravimetric analysis, FTIR spectroscopy, wide-angle X-ray diffraction, and gas permeation tests. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes were discussed in relation to pyrolysis protocols. The uncross-linked polymer membranes showed high CO 2/CH4 selectivity, whereas thermally crosslinked membranes exhibited significantly improved CO2 permeability and excellent CO2 plasticization resistance. The CMS membranes showed even higher CO2 permeability and CO2/CH4 selectivity. An increase in the pyrolysis temperature resulted in CMS membranes with lower gas permeability but higher selectivity. The 550 °C pyrolyzed CMS membranes showed CO2 permeability as high as 14 750 Barrer with CO 2/CH4 selectivity of approximately 52. Even 800 °C pyrolyzed CMS membranes still showed high CO2 permeability of 2610 Barrer with high CO2/CH4 selectivity of approximately 118. Both polymer membranes and the CMS membranes are very attractive in aggressive natural gas purification applications. Permeating through: Polyimide-based uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes are prepared. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes are discussed in relation to pyrolysis protocols. Both the polymer and CMS membranes are very attractive in aggressive natural gas purification applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Composite-alumina-carbon molecular sieve membranes prepared from novolac resin and boehmite. Part I: Preparation, characterization and gas permeation studies

    OpenAIRE

    Llosa Tanco, Margot A.; David A. Pacheco Tanaka; Rodrigues, Sandra; Texeira, Miguel; Mendes, Adelio

    2015-01-01

    Supported composite alumina-carbon molecular sieve membranes (c-CMSM) were prepared from in house prepared novolac phenolic resin loaded with boehmite nanoparticles in a single dipping-drying-carbonization step. A porous a-alumina tube support was dipped into a N-methyl-2-pyrrolidone solution containing polymerized novolac resin loaded with boehmite, subsequently dried at 100 C and carbonized at 500 C under nitrogen environment. The structure, morphology and performance of th...

  2. High-performance carbon molecular sieve membranes for ethylene/ethane separation derived from an intrinsically microporous polyimide

    KAUST Repository

    Salinas, Octavio

    2015-11-18

    An intrinsically microporous polymer with hydroxyl functionalities, PIM-6FDA-OH, was used as a precursor for various types of carbon molecular sieve (CMS) membranes for ethylene/ethane separation. The pristine polyimide films were heated under controlled N2 atmosphere at different stages from 500 to 800 °C. All CMS samples carbonized above 600 °C surpassed the polymeric ethylene/ethane upper bound. Pure-gas selectivity reached 17.5 for the CMS carbonized at 800 °C with an ethylene permeability of about 10 Barrer at 2 bar and 35 °C, becoming the most selective CMS for ethylene/ethane separation reported to date. As expected, gravimetric sorption experiments showed that all CMS membranes had ethylene/ethane solubility selectivities close to one. The permselectivity increased with increasing pyrolysis temperature due to densification of the micropores in the CMS membranes, leading to enhanced diffusivity selectivity. Mixed-gas tests with a binary 50:50 v/v ethylene/ethane feed showed a decrease in selectivity from 14 to 8.3 as the total feed pressure was increased from 4 to 20 bar. The selectivity drop under mixed-gas conditions was attributed to non-ideal effects: (i) Competitive sorption that reduced the permeability of ethylene and (ii) dilation of the CMS that resulted in an increase in the ethane permeability.

  3. Gas separation performance of carbon molecular sieve membranes based on 6FDA-mPDA/DABA (3:2) polyimide.

    Science.gov (United States)

    Qiu, Wulin; Zhang, Kuang; Li, Fuyue Stephanie; Zhang, Ke; Koros, William J

    2014-04-01

    6FDA-mPDA/DABA (3:2) polyimide was synthesized and characterized for uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes. The membranes were characterized with thermogravimetric analysis, FTIR spectroscopy, wide-angle X-ray diffraction, and gas permeation tests. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes were discussed in relation to pyrolysis protocols. The uncross-linked polymer membranes showed high CO2 /CH4 selectivity, whereas thermally crosslinked membranes exhibited significantly improved CO2 permeability and excellent CO2 plasticization resistance. The CMS membranes showed even higher CO2 permeability and CO2 /CH4 selectivity. An increase in the pyrolysis temperature resulted in CMS membranes with lower gas permeability but higher selectivity. The 550 °C pyrolyzed CMS membranes showed CO2 permeability as high as 14 750 Barrer with CO2 /CH4 selectivity of approximately 52. Even 800 °C pyrolyzed CMS membranes still showed high CO2 permeability of 2610 Barrer with high CO2 /CH4 selectivity of approximately 118. Both polymer membranes and the CMS membranes are very attractive in aggressive natural gas purification applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Controllable deformation of salt water-filled carbon nanotubes using an electric field with application to molecular sieving

    Science.gov (United States)

    Ye, Hongfei; Zheng, Yonggang; Zhang, Zhongqiang; Zhang, Hongwu; Chen, Zhen

    2016-08-01

    Precisely controlling the deformation of carbon nanotubes (CNTs) has practical application in the development of nanoscale functional devices, although it is a challenging task. Here, we propose a novel method to guide the deformation of CNTs through filling them with salt water and applying an electric field. With the electric field along the axial direction, the height of CNTs is enlarged by the axial electric force due to the internal ions and polar water molecules. Under an electric field with two mutually orthogonal components, the transverse electric force could further induce the bending deformation of CNTs. Based on the classical rod and beam theories, two mechanical models are constructed to verify and quantitatively describe the relationships between the tension and bending deformations of CNTs and the electric field intensity. Moreover, by means of the electric field-driven tension behavior of CNTs, we design a stretchable molecular sieve to control the flow rate of mixed gas and collect a single high-purity gas. The present work opens up new avenues in the design and fabrication of nanoscale controlling units.

  5. Adsorption equilibrium and thermodynamics of CO{sub 2} and CH{sub 4} on carbon molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Song, Xue [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China); Wang, Li’ao, E-mail: wangliao@cqu.edu.cn [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China); Ma, Xu; Zeng, Yunmin [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China)

    2017-02-28

    Highlights: • Impacts of pore structure on adsorption capacity of CO{sub 2} and CH{sub 4} on CMS were studied. • Thermodynamic properties of CO{sub 2} and CH{sub 4} at zero surface coverage were analyzed. • Variation of entropy change and Gibbs free energy with surface loading was explored. - Abstract: Carbon molecular sieves (CMS) are widely used in the separation of dioxide carbon and methane. In this research, three commercial CMS were utilized to analyze the pore structure and chemical properties. The adsorption isotherms of CO{sub 2} and CH{sub 4} were studied at 298 K, 308 K and 318 K over the pressure range of 0–1 MPa by an Intelligent Gravimetric analysis (IGA-100B, UK). Langmuir model was adopted to fit the experimental data. The working capacity and selectivity were employed to evaluate the adsorbents. The adsorption thermodynamics were discussed. The adsorbed amounts of both CO{sub 2} and CH{sub 4} are found to be highly related with the BET specific surface area and the volume of micropores, and also are interrelated with the total pore volume and micropore surface area. The standard enthalpy change (ΔH{sup Θ}), standard Gibbs free energy (ΔG{sup Θ}) and standard entropy change (ΔS{sup Θ}) at zero surface loading are negative, manifesting the adsorption process is exothermic and spontaneous, and the system tends to be ordered. With the increasing surface coverage, the absolute values of Gibbs free energy (ΔG) decrease whereas the absolute values of enthalpy change (ΔH) and entropy change(ΔS) increase. This indicates that as the adsorbed amount increases, the degree of the spontaneity reduces, the intermolecular forces among the adsorbate molecules increase, the orderliness of the system improves and the adsorbed amount approaches the maximum adsorbed capacity.

  6. OZONE REACTION WITH N-ALDEHYDES (N=4-10), BENZALDEHYDE, ETHANOL, ISOPROPANOL, AND N-PROPANOL ADSORBED ON A DUAL-BED GRAPHITIZED CARBON/CARBON MOLECULAR SIEVE ADSORBENT CARTRIDGE

    Science.gov (United States)

    Ozone reacts with n-aldehydes (n = 4 - 10), benzaldehyde, ethanol, isopropanol, and n-propanol adsorbed on a dual-bed graphitized carbon/carbon molecular sieve adsorbent cartridge. Destruction of n-aldehydes increases with n number and with ozone concentration. In some samp...

  7. A 99 percent purity molecular sieve oxygen generator

    Science.gov (United States)

    Miller, G. W.

    1991-01-01

    Molecular sieve oxygen generating systems (MSOGS) have become the accepted method for the production of breathable oxygen on military aircraft. These systems separate oxygen for aircraft engine bleed air by application of pressure swing adsorption (PSA) technology. Oxygen is concentrated by preferential adsorption in nitrogen in a zeolite molecular sieve. However, the inability of current zeolite molecular sieves to discriminate between oxygen and argon results in an oxygen purity limitations of 93-95 percent (both oxygen and argon concentrate). The goal was to develop a new PSA process capable of exceeding the present oxygen purity limitations. A novel molecular sieve oxygen concentrator was developed which is capable of generating oxygen concentrations of up to 99.7 percent directly from air. The process is comprised of four absorbent beds, two containing a zeolite molecular sieve and two containing a carbon molecular sieve. This new process may find use in aircraft and medical breathing systems, and industrial air separation systems. The commercial potential of the process is currently being evaluated.

  8. A novel processing of carbon nanotubes grown on molecular sieve coated porous ceramics

    Science.gov (United States)

    Mazumder, Sangram; Sarkar, Naboneeta; Park, Jung Gyu; Zhao, Wei; Kim, Sukyoung; Kim, Ik Jin

    2015-08-01

    The present study focuses on the growth of carbon nanotubes (CNTs) on Fe-containing zeolites coated porous ceramics by implementing three different and independent techniques, successively. Direct foaming-derived porous ceramics were subjected to hydrothermal reaction for on-site growth of NaA zeolites within it. The porous ceramics-zeolite composite was subjected to ion-exchange reaction to obtain the catalyst for CNT synthesis. Multi-walled CNTs (MWCNTs) were grown by catalytic chemical vapour deposition (CCVD) process using acetylene as carbon source. Microstructural, thermogravimetric and spectroscopic analyses showed distinctive differences in terms of hollow structural feature, yield and crystallinity of the MWCNTs with different reaction temperatures.

  9. Selective oxidation of cyclohexane in supercritical carbon dioxide over CoAPO-5 molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ruizhen; Qin, Zhangfeng; Dong, Mei; Wang, Guofu; Wang, Jianguo [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, P.O. Box 165, Taiyuan, Shanxi 030001 (China)

    2005-12-30

    A series of cobalt-incorporated aluminophosphates (CoAPO-5) with different Co contents were hydrothermally synthesized. The tetrahedral Co{sup 2+} in the lattice framework was evidenced by various spectroscopic characterizations, which could be partially oxidized to Co{sup 3+} to form redox centers upon calcination. Over CoAPO-5, the selective oxidation of cyclohexane was carried out with CO{sub 2} as an additional solvent under supercritical conditions, where the different phase regions were categorized by the critical properties of the nominal reacting mixture (cyclohexane+nitrogen+carbon dioxide+cyclohexanol+cyclohexanone+water) that varies with the reaction extent. The results indicated that CoAPO-5 is an effective catalyst for the selective oxidation of cyclohexane to cyclohexanol and cyclohexanone; in the compressed CO{sub 2}, the total selectivity of objective products increased and the by-products were suppressed considerably. The conversion of cyclohexane decreased, while the selectivity to cyclohexanol and cyclohexanone increased with the increase of the apparent density.

  10. Ethylene/ethane permeation, diffusion and gas sorption properties of carbon molecular sieve membranes derived from the prototype ladder polymer of intrinsic microporosity (PIM-1)

    KAUST Repository

    Salinas, Octavio

    2016-01-05

    Fine-tuning the microporosity of PIM-1 by heat treatment was applied to develop a suitable carbon molecular sieve membrane for ethylene/ethane separation. Pristine PIM-1 films were heated from 400 to 800 °C under inert N2 atmosphere (< 2 ppm O2). At 400 °C, PIM-1 self-cross-linked and developed polar carbonyl and hydroxyl groups due to partial dioxane splitting in the polymer backbone. Significant degradation occurred at 600 °C due to carbonization of PIM-1 and resulted in 30% increase in cumulative surface area compared to its cross-linked predecessor. In addition, PIM-1-based CMS developed smaller ultramicropores with increasing pyrolysis temperature, which enhanced their molecular sieving capability by restricted diffusion of ethylene and ethane through the matrix due to microstructural carbon densification. Consequently, the pure-gas ethylene permeability (measured at 35 °C and 2 bar) decreased from 1600 Barrer for the pristine PIM-1 to 1.3 Barrer for the amorphous carbon generated at 800 °C, whereas the ethylene/ethane pure-gas selectivity increased significantly from 1.8 to 13.

  11. Gas chromatography for in situ analysis of a cometary nucleus. II. Analysis of permanent gases and light hydrocarbons with a carbon molecular sieve porous layer open tubular column.

    Science.gov (United States)

    Szopa, C; Sternberg, R; Coscia, D; Raulin, F; Vidal-Madjar, C

    2000-12-22

    Considering the severe constraints of space instrumentation, a great improvement for the in situ gas chromatographic (GC) determination of permanent and noble gases in a cometary nucleus is the use of a new carbon molecular sieve porous layer open tubular (PLOT) column called Carbobond. No exhaustive data dealing with this column being available, studies were carried out to entirely characterize its analytical performances, especially when used under the operating conditions of the cometary sampling and composition (COSAC) experiment of the European Space Agency (ESA) Rosetta space mission to be launched in 2003 for a rendezvous with comet 46 P/Wirtanen in 2011. The high efficiency and speed of analysis of this column at both atmospheric and vacuum outlet column pressure is demonstrated, and the kinetic mass transfer contribution of this carbon molecular sieve adsorbent is calculated. Besides, differential adsorption enthalpies of several gases and light hydrocarbons were determined from the variation of retention volume with temperature. The data indicate close adsorption behaviors on the Carbobond porous layer adsorbent and on the carbon molecular sieve Carboxen support used to prepare the packed columns. Moreover, taking into account the in situ operating conditions of the experiment, a study of two columns with different porous layer thicknesses allowed one to optimize the separation of the target components and to select the column parameters compatible with the instrument constraints. Comparison with columns of similar selectivity shows that these capillary columns are the first ones able to perform the same work as the packed and micro-packed columns dedicated to the separation of this range of compounds in GC space exploration.

  12. 21 CFR 173.40 - Molecular sieve resins.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Molecular sieve resins. 173.40 Section 173.40 Food... Polymer Substances and Polymer Adjuvants for Food Treatment § 173.40 Molecular sieve resins. Molecular...) The molecular sieve resins consist of purified dextran having an average molecular weight of 40,000...

  13. decorated nano silicoaluminophosphate molecular sieves-modified ...

    Indian Academy of Sciences (India)

    Nano SAPO; molecular sieves; modified electrode; electrocatalytic oxidation; methanol. 1. Introduction. Direct methanol fuel cells (DMFCs) as power sources for electronic devices are attractive for storage and apply in portable power generator [1]. In the DMFC, methanol is used as a fuel so it is important that to improve ...

  14. Mesoporous titanium phosphates and related molecular sieves ...

    Indian Academy of Sciences (India)

    Unknown

    in the chemical and petrochemical industries. Phosphate-based molecular sieves 4–6 ... industry because of their interesting 2D and 3D framework topologies. On the other hand, commercial anion ... mesoporous aluminophosphate derived from polyoxometalate clusters 8,9 are the only examples of such a class of material.

  15. Process for the production of a molecular sieve material

    NARCIS (Netherlands)

    Melian, C.I.; Kapteijn, F.; Moulijn, J.A.

    2006-01-01

    The invention concerns a process for the production of a molecular sieve material by growing the molecular sieve material structure in the presence of a template for the pore structure, followed by removal of the template from the molecular sieve material, in which process the template is removed by

  16. Process for the production of a molecular sieve material

    OpenAIRE

    Melian, C.I.; Kapteijn, F.; Moulijn, J.A.

    2006-01-01

    The invention concerns a process for the production of a molecular sieve material by growing the molecular sieve material structure in the presence of a template for the pore structure, followed by removal of the template from the molecular sieve material, in which process the template is removed by oxidation of the template material using an oxidising agent.

  17. Carbon molecular sieve membrane from a microporous spirobisindane-based polyimide precursor with enhanced ethylene/ethane mixed-gas selectivity

    KAUST Repository

    Salinas, Octavio

    2017-01-13

    Ethylene is typically produced by steam cracking of various hydrocarbon feedstocks. The gaseous products are then separated in a demethanizer followed by a deethanizer unit and finally sent to a C splitter for the final purification step. Cryogenic distillation of ethylene from ethane is the most energy-intensive unit operation process in the chemical industry. Therefore, the development of more energy-efficient processes for ethylene purification is highly desirable. Membrane-based separation has been proposed as an alternative option for replacement or debottlenecking of C splitters but current polymer membrane materials exhibit insufficient mixed-gas CH/CH selectivity (<7) to be technically and economically attractive. In this work, a highly selective carbon molecular sieve (CMS) membrane derived from a novel spirobisindane-based polyimide of intrinsic microporosity (PIM-6FDA) was developed and characterized. PIM-6FDA showed a single-stage degradation process under an inert nitrogen atmosphere which commenced at ∼480 °C. The CMS formed by pyrolysis at 800 °C had a diffusion/size-sieving-controlled morphology with a mixed-gas (50% CH/50% CH) ethylene/ethane selectivity of 15.6 at 20 bar feed pressure at 35 °C. The mixed-gas ethylene/ethane selectivity is the highest reported value for CMS-type membranes to date.

  18. Natural gas cleanup: Evaluation of a molecular sieve carbon as a pressure swing adsorbent for the separation of methane/nitrogen mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Grimes, R.W.

    1994-06-01

    This report describes the results of a preliminary evaluation to determine the technical feasibility of using a molecular sieve carbon manufactured by the Takeda Chemical Company of Japan in a pressure owing adsorption cycle for upgrading natural gas (methane) contaminated with nitrogen. Adsorption tests were conducted using this adsorbent in two, four, and five-step adsorption cycles. Separation performance was evaluated in terms of product purity, product recovery, and sorbent productivity for all tests. The tests were conducted in a small, single-column adsorption apparatus that held 120 grams of the adsorbent. Test variables included adsorption pressure, pressurization rate, purge rate and volume, feed rate, and flow direction in the steps from which the product was collected. Sorbent regeneration was accomplished by purging the column with the feed gas mixture for all but one test series where a pure methane purge was used. The ratio between the volumes of the pressurization gas and the purge gas streams was found to be an important factor in determining separation performance. Flow rates in the various cycle steps had no significant effect. Countercurrent flow in the blow-down and purge steps improved separation performance. Separation performance appears to improve with increasing adsorption pressure, but because there are a number of interrelated variables that are also effected by pressure, further testing will be needed to verify this. The work demonstrates that a molecular sieve carbon can be used to separate a mixture of methane and nitrogen when used in a pressure swing cycle with regeneration by purge. Further work is needed to increase product purity and product recovery.

  19. Comparison of molecular sieve properties in microporous chars from low-rank bituminous coal activated by steam and carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Jasienko-Halat, M.; Kedzior, K. [Wroclaw Univ. of Technology (Poland). Inst. of Chemistry and Technology of Petroluem and Coal

    2005-07-01

    A Polish high volatile bituminous coal was subjected to air oxidation, carbonization and gaseous activation. The activation with steam and carbon dioxide was performed to low levels of burn-off: 5-25%. Sorption measurements Of CO{sub 2}, as well as of organic vapours with increasing molecular sizes (CH{sub 2}Cl{sub 2}, C{sub 6}H{sub 6}, C{sub 6}H{sub 12}, CCl{sub 4}) were applied to evaluate the porous structure of the activated chars. Steam and carbon dioxide develop the microporous system according to the same mechanism-opening (burn-off 5-10%) and then widening of the narrow micropores. For char from the oxidized coal mainly a widening of the narrow micropores takes place. Comparing both activating agents, it was stated that for steam greater micropore volumes were obtained. This was confirmed by other authors for chars from brown coal and coking coal, but was in disagreement with the results for olive stones and carbon fibres. This would indicate the importance of the carbon precursor in the formation of the porous structure of carbon materials by different activating agents. In the region of studied burn-offs, among the micropore sizes useful for separation of gases and vapours with small molecules, micropore volumes with widths close to 0.4-0.5 nm are dominating. At very low burn-offs (5-10%), steam activation renders greater micropore volumes within these sizes, than does activation with carbon dioxide. But with increasing burn-off (15-25%), this phenomenon becomes reversed. This effect is still more accentuated for the preoxidized coal.

  20. Preparation of a carbon molecular sieve and application to separation of N2, O2 and CO2 in a fixed bed

    Directory of Open Access Journals (Sweden)

    Soares J.L.

    2003-01-01

    Full Text Available The emission of CO2 from power plants that burn fossil fuels is the major cause of the accumulation of CO2 in the atmosphere. The separation of CO2 from CO2/air mixtures can play a key role in alleviating this problem. This separation can be carried out by using suitable adsorbents, such as carbon molecular sieves. In this work, a CMS was prepared by deposition of polyfurfuryl alcohol polymer on activated carbon. After deposition of the polymer, the material was carbonized at 800masculineC for 2 hours. This material was used to separate O2/N2 mixtures and CO2 in a fixed bed at room temperature. Experimental breakthrough curves obtained were fitted to theoretical models in order to establish the main mechanisms of mass transfer. The breakthrough curves showed that it is possible to separate O2, N2 and CO2. The shape of the breakthrough curves was not influenced by the total flow, indicating that the gas contact for the gas mixture was good. The experimental data were fitted to theoretical models and it was established that the main mechanism of mass transfer was intraparticle diffusion.

  1. An efficient polymer molecular sieve for membrane gas separations

    National Research Council Canada - National Science Library

    Carta, Mariolino; Malpass-Evans, Richard; Croad, Matthew; Rogan, Yulia; Jansen, Johannes C; Bernardo, Paola; Bazzarelli, Fabio; McKeown, Neil B

    2013-01-01

    .... These films demonstrate exceptional performance as molecular sieves with high gas permeabilities and good selectivities for smaller gas molecules, such as hydrogen and oxygen, over larger molecules...

  2. Inorganic composite membrane containing molecular-sieve crystals

    NARCIS (Netherlands)

    Geus, E.R.; Den Exter, J.; Van Bekkum, H.

    1993-01-01

    Abstract of NL 9101148 (A) The present invention relates to an inorganic composite membrane which contains molecular-sieve crystals and comprises a porous support, more particularly a support converted into the form of a membrane module, on which molecular-sieve crystals are disposed which have been

  3. AN INORGANIC COMPOSITE MEMBRANE COMPRISING MOLECULAR SIEVE CRYSTALS

    NARCIS (Netherlands)

    Geus, E.R.; Jansen, J.C.; Jaspers, B.C.; Schoonman, J.; Van Bekkum, H.

    1992-01-01

    Abstract of WO 9213631 (A1) Inorganic composite membrane containing molecular sieve crystals, comprising a macroporous support to which molecular sieve crystals and modifications thereof have been applied substantially as a monolayer, said crystals and modifications thereof having been oriented so

  4. Spirobisindane-based polyimide as efficient precursor of thermally-rearranged and carbon molecular sieve membranes for enhanced propylene/propane separation

    KAUST Repository

    Swaidan, Ramy Jawdat

    2016-09-02

    High performance thermally-rearranged (TR) and carbon molecular sieve (CMS) membranes made from an intrinsically microporous polymer precursor PIM-6FDA-OH are reported for the separation of propylene from propane. Thermal rearrangement of PIM-6FDA-OH to the corresponding polybenzoxazole (PBO) membrane resulted in a pure-gas C3H6/C3H8 selectivity of 15 and C3H6 permeability of 14 Barrer, positioning it above the polymeric C3H6/C3H8 upper bound. For the first time, the C3H6/C3H8 mixed-gas properties of a TR polymer were investigated and showed a C3H6 permeability of 11 Barrer and C3H6/ C3H8 selectivity of 11, essentially independent of feed pressure up to 5 bar. The CMS membrane made by treatment at 600 C showed further improvement in performance as demonstrated with a pure-gas C3H8/C3H8 selectivity of 33 and a C3H6 permeability of 45 Barrer. The mixed-gas C3H6/C3H8 selectivity dropped from 24 to 17 from 2 to 5 bar feed pressure due to a decrease in C3H6 permeability most likely caused by competitive sorption without any evidence of plasticization. (C) 2016 Elsevier B.V. All rights reserved.

  5. Olefins-selective asymmetric carbon molecular sieve hollow fiber membranes for hybrid membrane-distillation processes for olefin/paraffin separations

    KAUST Repository

    Xu, Liren

    2012-12-01

    In this paper, the development of asymmetric carbon molecular sieve (CMS) hollow fiber membranes and advanced processes for olefin/paraffin separations based on the CMS membranes are reported. Membrane-based olefin/paraffin separations have been pursued extensively over the past decades. CMS membranes are promising to exceed the performance upper bound of polymer materials and have demonstrated excellent stability for gas separations. Previously, a substructure collapse phenomenon was found in Matrimid ® precursor derived CMS fiber. To overcome the permeance loss due to the increased separation layer thickness, 6FDA-DAM and 6FDA/BPDA-DAM precursors were selected as potential new precursors for carbon membrane formation. Defect-free asymmetric 6FDA-DAM and 6FDA/BPDA-DAM hollow fibers were successfully fabricated from a dry-jet/wet-quench spinning process. Polymer rigidity, glass-rubber transition and asymmetric morphology were correlated. CMS hollow fiber membranes produced from 6FDA-polymer precursors showed significant improvement in permeance for ethylene/ethane and propylene/propane separations. Further studies revealed that the CMS membranes are olefins-selective, which means the membranes are able to effectively separate olefins (ethylene and propylene) from paraffins (ethane and propane). This unique feature of CMS materials enables advanced hybrid membrane-distillation process designs. By using the olefins-selective membranes, these new processes may provide advantages over previously proposed retrofitting concepts. Further applications of the membranes are explored for hydrocarbons processes. Significant energy savings and even reduced footprint may be achieved in olefins production units. © 2012 Elsevier B.V.

  6. A controllable molecular sieve for Na+ and K+ ions.

    Science.gov (United States)

    Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui

    2010-02-17

    The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems. Molecular sieves for ions can be achieved by steric and electrical effects. However, the radii of Na(+) and K(+) are quite similar; they both carry a positive charge, making them difficult to separate. Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K(+) or Na(+) across the cell membrane. However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e.g., KcsA). Our molecular dynamics simulations show that the remarkable selectivity is attributed to the hydration structure of Na(+) or K(+) confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms. The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water.

  7. The Feasibility of Energy Extraction from Acidic Wastewater by Capacitive Mixing with a Molecular-Sieving Carbon Electrode.

    Science.gov (United States)

    Shapira, Barak; Avraham, Eran; Aurbach, Doron

    2016-12-20

    Capacitive mixing is a newly emerging technique for the production of renewable energy from differences in salinity, usually of wastewater streams. The method is based on the controlled mixing of two streams with different salt concentrations, which are alternatingly brought into contact with precharged porous electrodes, thus taking advantage of the fact that modification of the electrical double layer of the electrodes results in changes in the solution salinity. Usually, the renewable energy resources are seawater and river water streams. Here, we demonstrated that electrical energy can be extracted by capacitive mixing of acidic wastewater and seawater. This concept is proven by the use of proton-selective carbon as the cation-capturing electrode, fabricated by carbonization of cellulose filter paper followed by mild activation in concentrated nitric acid. Considerable energy extraction was demonstrated even if the concentration of the NaCl solution was tenfold higher than that of the acidic solution. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Growth and physico-chemical properties of interconnected carbon nanotubes in FeSBA-15 mesoporous molecular sieves

    Directory of Open Access Journals (Sweden)

    Ulka Suryavanshi

    2016-03-01

    Full Text Available Carbon nanotubes (CNTs with well-defined hollow interiors, and different morphologies have been grown inside the nanochannels of iron substituted SBA-15 (Santa Barbara Amorphous with different iron contents and well-ordered large mesopores by chemical vapour deposition method. This novel method requires only 3 min for the formation of high quality multiwalled CNTs inside the SBA-15. The physico-chemical characteristics of the prepared CNT/Fe-SBA-15 nanocomposite have been analysed with powder X-ray diffraction (XRD, scanning electron microscopy (SEM, Raman spectroscopy and thermogravimetric analysis (TGA. XRD, Raman spectroscopy and TGA results confirm that the formed CNTs in SBA-15 nanochannels are highly pure and graphitic in nature, which can be altered by tuning the Fe content in the support matrix. SEM images show the interconnected network of SBA-15/CNT where CNT bridges the neighbouring SBA-15 nanoparticles. Interestingly, spring like CNTs and multi-terminal junctions such as Y and H junctions were also observed. The morphology of the CNTs inside the nanochannels of the SBA-15 support can also be controlled by the simple adjustment of the iron content in the SBA-15 framework. It has also been found that the content of Fe in the silica framework of SBA-15 plays a significant role in the formation of the CNTs and the amount of deposited CNTs in the nanochannels of SBA-15 increased with increasing the concentration of iron in framework. Among the materials studied, the FeSBA-15 with the nSi/nFe ratio of 2 showed the highest catalytic activity towards the formation of high quality CNTs.

  9. A STUDY OF QUANTUM ISOTOPIC SIEVING THORUGH CARBON NANOTUBES

    OpenAIRE

    Dasgupta, Devagnik

    2013-01-01

    The theory of molecular sieving has long been a subject of importance because of its widespread technological applications .Classical molecular sieving mainly de- pends on the size and shape of the guest molecules and the size of the host solid. However,isotope seperation is usually very difficult to achieve through classical sieving, as the isotopes generally have the same shape and size and differ only in mass.One way to resolve such an issue is through the applications of quantum effects w...

  10. Molecular Sieve Bench Testing and Computer Modeling

    Science.gov (United States)

    Mohamadinejad, Habib; DaLee, Robert C.; Blackmon, James B.

    1995-01-01

    The design of an efficient four-bed molecular sieve (4BMS) CO2 removal system for the International Space Station depends on many mission parameters, such as duration, crew size, cost of power, volume, fluid interface properties, etc. A need for space vehicle CO2 removal system models capable of accurately performing extrapolated hardware predictions is inevitable due to the change of the parameters which influences the CO2 removal system capacity. The purpose is to investigate the mathematical techniques required for a model capable of accurate extrapolated performance predictions and to obtain test data required to estimate mass transfer coefficients and verify the computer model. Models have been developed to demonstrate that the finite difference technique can be successfully applied to sorbents and conditions used in spacecraft CO2 removal systems. The nonisothermal, axially dispersed, plug flow model with linear driving force for 5X sorbent and pore diffusion for silica gel are then applied to test data. A more complex model, a non-darcian model (two dimensional), has also been developed for simulation of the test data. This model takes into account the channeling effect on column breakthrough. Four FORTRAN computer programs are presented: a two-dimensional model of flow adsorption/desorption in a packed bed; a one-dimensional model of flow adsorption/desorption in a packed bed; a model of thermal vacuum desorption; and a model of a tri-sectional packed bed with two different sorbent materials. The programs are capable of simulating up to four gas constituents for each process, which can be increased with a few minor changes.

  11. Carbon fiber composite molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Burchell, T.D.; Rogers, M.R. [Oak Ridge National Lab., TN (United States)

    1997-12-01

    Monolithic adsorbents based on isotropic pitch fibers have been developed jointly by ORNL and the University of Kentucky, Center for Applied Energy Research. The monoliths are attractive for gas separation and storage applications because of their unique combination of physical properties and microporous structure. Currently at ORNL the monoliths are produced in billets that are 10 cm in diameter and 25 cm in length. The monolithic adsorbent material is being considered for guard bed applications on a natural gas (NG) powered device. In order for the material to be successful in this application, one must attain a uniform activation to modest micropore volumes throughout the large monoliths currently being produced. Here the authors report the results of a study directed toward attaining uniform activation in these billets.

  12. Microscopic Observation of Kinetic Molecular Sieving of Hydrogen Isotopes in a Nanoporous Material

    Science.gov (United States)

    Nguyen, T. X.; Jobic, H.; Bhatia, S. K.

    2010-08-01

    We report quasielastic neutron scattering studies of H2-D2 diffusion in a carbon molecular sieve, demonstrating remarkable quantum effects, with the heavier isotope diffusing faster below 100 K, confirming our recent predictions. Our transition state theory and molecular dynamics calculations show that while it is critical for this effect to have narrow windows of size comparable to the de Broglie wavelength, high flux requires that the energy barrier be reduced through small cages. Such materials will enable novel processes for kinetic molecular sieving of hydrogen isotopes.

  13. Mesoporous Molecular Sieves as Supports for Metathesis Catalysts

    Science.gov (United States)

    Balcar, Hynek; Cejka, Jirí

    Mesoporous molecular sieves represent a new family of inorganic oxides with regular nanostructure, large surface areas, large void volumes, and narrow pore size distribution of mesopores. These materials offer new possibilities for designing highly active and selective catalysts for olefin metathesis and metathesis polymerization. Siliceous sieves MCM-41, MCM-48, SBA-15, and organized mesoporous alumina (OMA) were used as supports for preparation of new molybdenum and rhenium oxide catalysts, as well as for heterogenization of well-defined homogeneous catalysts.

  14. Ozone reaction with n-aldehydes (n=4-10), benzaldehyde, ethanol, isopropanol, and n-propanol adsorbed on a dual-bed graphitized carbon-carbon molecular sieve adsorbent cartridge.

    Science.gov (United States)

    McClenny, W A; Colón, M; Oliver, K D

    2001-09-21

    Ozone reacts with n-aldehydes (n=4-10), benzaldehyde, ethanol, isopropanol and n-propanol adsorbed on a dual-bed graphitized carbon-carbon molecular sieve adsorbent cartridge. Destruction of n-aldehydes increases with n number and with ozone concentration. In some sampling experiments both generation and destruction of n-aldehydes by ozone are observed. In field experiments the results of sample analysis for n-aldehydes and benzaldehyde are frequently not proportional to sample volume whereas results for toluene and isoprene, and sometimes for total carbon, are. A simple theory is developed to simulate the net result of three processes: the adsorption of compounds from an air stream onto a solid adsorbent, the generation of compounds by reaction of ozone with materials upstream of or on the adsorbent, and the destruction by ozone of pre-existing compounds and compounds adsorbed from the sample stream. The use of distributed volume pairs is recommended as a way to identify loss of sample integrity during air monitoring experiments.

  15. Double rotation NMR studies of zeolites and aluminophosphate molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Jelinek, Raz [Univ. of California, Berkeley, CA (United States)

    1993-07-01

    Goal is to study the organization and structures of guest atoms and molecules and their reactions on internal surfaces within pores of zeolites and aluminophosphate molecular sieves. 27Al and 23Na double rotation NMR (DOR) is used since it removes the anisotropic broadening in NMR spectra of quadrupolar nuclei, thus increasing resolution. This work concentrates on probing aluminum framework atoms in aluminophosphate molecular sieves and sodium extra framework cations in porous aluminosilicates. In aluminophosphates, ordering and electronic environments of the framework 27Al nuclei are modified upon adsorption of water molecules within the channels; a relation is sought between the sieve channel topology and the organization of adsorbed water, as well as the interaction between the Al nuclei and the water molecules. Extra framework Na+ cations are directly involved in adsorption processes and reactions in zeolite cavities.

  16. Electronic and Magnetic Structure of Octahedral Molecular Sieves

    Science.gov (United States)

    Morey-Oppenheim, Aimee M.

    The major part of this research consists of magnetic and electronic studies of metal doped cryptomelane-type manganese oxide octahedral molecular sieves (KOMS-2). The second part of this study involves the magnetic characterization of cobalt doped MCM-41 before and after use in the synthesis of single walled carbon nanotubes. Manganese oxides have been used widely as bulk materials in catalysis, chemical sensors, and batteries due to the wide range of possible stable oxidation states. The catalytic function of manganese oxides is further tuned by doping the material with numerous transition metals. It is of particular interest the oxidation states of Mn present after doping. New titrations to determine the oxidation state of Mn were investigated. To further examine the structure of KOMS-2, the magnetic contribution of dopant metals was also examined. The KOMS-2 structure having both diamagnetic and paramagnetic metal ions substitutions was studied. MCM-41 with the incorporation of cobalt into the structure was analyzed for its magnetic properties. The material undergoes significant structural change during the synthesis of single walled carbon nanotubes. It was the focus of this portion of the research to do a complete magnetic profile of both the before and after reaction material.

  17. Adsorption properties of the SAPO-5 molecular sieve

    KAUST Repository

    Hu, Enping

    2010-09-09

    The adsorption properties of an aluminophosphate molecular sieve, SAPO-5, were measured for a number of gases and vapors, including N2, water, isopropanol, and xylenes. The data showed that SAPO-5 is quite hydrophobic and has a strong selectivity of o-xylene over its isomers m- and p-xylene. © 2010 American Chemical Society.

  18. Polymeric molecular sieve membranes via in situ cross-linking of non-porous polymer membrane templates.

    Science.gov (United States)

    Qiao, Zhen-An; Chai, Song-Hai; Nelson, Kimberly; Bi, Zhonghe; Chen, Jihua; Mahurin, Shannon M; Zhu, Xiang; Dai, Sheng

    2014-04-16

    High-performance polymeric membranes for gas separation are attractive for molecular-level separations in industrial-scale chemical, energy and environmental processes. Molecular sieving materials are widely regarded as the next-generation membranes to simultaneously achieve high permeability and selectivity. However, most polymeric molecular sieve membranes are based on a few solution-processable polymers such as polymers of intrinsic microporosity. Here we report an in situ cross-linking strategy for the preparation of polymeric molecular sieve membranes with hierarchical and tailorable porosity. These membranes demonstrate exceptional performance as molecular sieves with high gas permeabilities and selectivities for smaller gas molecules, such as carbon dioxide and oxygen, over larger molecules such as nitrogen. Hence, these membranes have potential for large-scale gas separations of commercial and environmental relevance. Moreover, this strategy could provide a possible alternative to 'classical' methods for the preparation of porous membranes and, in some cases, the only viable synthetic route towards certain membranes.

  19. Polymeric molecular sieve membranes via in situ cross-linking of non-porous polymer membrane templates

    Science.gov (United States)

    Qiao, Zhen-An; Chai, Song-Hai; Nelson, Kimberly; Bi, Zhonghe; Chen, Jihua; Mahurin, Shannon M.; Zhu, Xiang; Dai, Sheng

    2014-04-01

    High-performance polymeric membranes for gas separation are attractive for molecular-level separations in industrial-scale chemical, energyand environmental processes. Molecular sieving materials are widely regarded as the next-generation membranes to simultaneously achieve high permeability and selectivity. However, most polymeric molecular sieve membranes are based on a few solution-processable polymers such as polymers of intrinsic microporosity. Here we report an in situ cross-linking strategy for the preparation of polymeric molecular sieve membranes with hierarchical and tailorable porosity. These membranes demonstrate exceptional performance as molecular sieves with high gas permeabilities and selectivities for smaller gas molecules, such as carbon dioxide and oxygen, over larger molecules such as nitrogen. Hence, these membranes have potential for large-scale gas separations of commercial and environmental relevance. Moreover, this strategy could provide a possible alternative to ‘classical’ methods for the preparation of porous membranes and, in some cases, the only viable synthetic route towards certain membranes.

  20. Direct electrochemistry and electrocatalytic properties of hemoglobin immobilized on a carbon ionic liquid electrode modified with mesoporous molecular sieve MCM-41.

    Science.gov (United States)

    Li, Yonghong; Zeng, Xiandong; Liu, Xiaoying; Liu, Xinsheng; Wei, Wanzhi; Luo, Shenglian

    2010-08-01

    The direct electron transfer and electrocatalysis of hemoglobin (Hb) entrapped in the MCM-41 modified carbon ionic liquid electrode (CILE) were investigated by using cyclic voltammetry in 0.10 M pH 7.0 phosphate buffer solution (PBS). Due to its uniform pore structure, high surface areas and good biocompatibility, the mesoporous silica sieve MCM-41 provided a suitable matrix for immobilization of biomolecule. The MCM-41 modified CILE showed significant promotion to the direct electron transfer of Hb, which exhibited a pair of well defined and quasi-reversible peaks for heme Fe(III)/Fe(II) with a formal potential of -0.284 V (vs. Ag/AgCl). Additionally, the Hb immobilized on the MCM-41 modified carbon ionic liquid electrode showed excellent electrocatalytic activity toward H(2)O(2). The electrocatalytic current values were linear with increasing concentration of H(2)O(2) in a wide range of 5-310 microM and the corresponding detection limit was calculated to be 5 x 10(-8)M (S/N=3). The surface coverage of Hb immobilized on the MCM-41 modified carbon ionic liquid electrode was about 2.54 x 10(-9) molcm(-2). The Michaelis-Menten constant K(m)(app) of 214 microM indicated that the Hb immobilized on the modified electrode showed high affinity to H(2)O(2). The proposed electrode had high stability and good reproducibility due to the protection effect of MCM-41 and ionic liquid, and it would have wide potential applications in direct electrochemistry, biosensors and biocatalysis. Copyright 2010 Elsevier B.V. All rights reserved.

  1. Demonstration of radon removal from SF6 using molecular sieves

    Science.gov (United States)

    Ezeribe, A. C.; Lynch, W.; Gregorio, R. R. Marcelo; Mckeand, J.; Scarff, A.; Spooner, N. J. C.

    2017-09-01

    The gas SF6 has become of interest as a negative ion drift gas for use in directional dark matter searches. However, as for other targets in such searches, it is important that radon contamination can be removed as this provides a source of unwanted background events. In this work we demonstrate for the first time filtration of radon from SF6 gas by using a molecular sieve. Four types of sieves from Sigma-Aldrich were investigated, namely 3Å, 4Å, 5Å and 13X. A manufactured radon source was used for the tests. This was attached to a closed loop system in which gas was flowed through the filters and a specially adapted Durridge RAD7 radon detector. In these measurements, it was found that only the 5Å type was able to significantly reduce the radon concentration without absorbing the SF6 gas. The sieve was able to reduce the initial radon concentration of 3875 ± 13 Bqm-3 in SF6 gas by 87% when cooled with dry ice. The ability of the cooled 5Å molecular sieve filter to significantly reduce radon concentration from SF6 provides a promising foundation for the construction of a radon filtration setup for future ultra-sensitive SF6 gas rare-event physics experiments.

  2. Photo-oxidative enhancement of polymeric molecular sieve membranes.

    Science.gov (United States)

    Song, Qilei; Cao, Shuai; Zavala-Rivera, Paul; Lu, Li Ping; Li, Wei; Ji, Yan; Al-Muhtaseb, Shaheen A; Cheetham, Anthony K; Sivaniah, Easan

    2013-01-01

    High-performance membranes are attractive for molecular-level separations in industrial-scale chemical, energy and environmental processes. The next-generation membranes for these processes are based on molecular sieving materials to simultaneously achieve high throughput and selectivity. Membranes made from polymeric molecular sieves such as polymers of intrinsic microporosity (pore sizepolymer of intrinsic microporosity. The ultraviolet light field, localized to a near-surface domain, induces reactive ozone that collapses the microporous polymer framework. The rapid, near-surface densification results in asymmetric membranes with a superior selectivity in gas separation while maintaining an apparent permeability that is two orders of magnitude greater than commercially available polymeric membranes. The oxidative chain scission induced by ultraviolet irradiation also indicates the potential application of the polymer in photolithography technology.

  3. Dynamic quantum molecular sieving separation of D2 from H2-D2 mixture with nanoporous materials.

    Science.gov (United States)

    Niimura, Subaru; Fujimori, Toshihiko; Minami, Daiki; Hattori, Yoshiyuki; Abrams, Lloyd; Corbin, Dave; Hata, Kenji; Kaneko, Katsumi

    2012-11-14

    Quantum molecular sieving separability of D(2) from an H(2)-D(2) mixture was measured at 77 K for activated carbon fiber, carbon molecular sieve, zeolite and single wall carbon nanotube using a flow method. The amount of adsorbed D(2) was evidently larger than H(2) for all samples. The maximum adsorption ratio difference between D(2) and H(2) was 40% for zeolite (MS13X), yielding a selectivity for D(2) with respect to H(2) of 3.05.

  4. Vanadium-modified molecular sieves: preparation, characterization and catalysis

    Directory of Open Access Journals (Sweden)

    Ângela A. Teixeira-Neto

    2009-01-01

    Full Text Available Vanadium-containing molecular sieves are redox catalysts and are good candidates as substitutes for oxide-supported V2O5 in a number of reactions. These materials have the advantage of presenting better dispersion of vanadium species, as well as shape-selective properties and controllable acidities. They may be prepared by one-pot synthesis or by post-synthesis methods and a number of techniques such as diffuse reflectance UV-visible spectroscopy, 51V nuclear magnetic resonance and electron paramagnetic resonance, to name but a few, have been used to characterize these materials. In this review, methods of preparation of vanadium-modified molecular sieves, their characterization and applications in catalysis are discussed.

  5. Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8

    KAUST Repository

    Zhang, Chen

    2012-08-16

    We studied molecular sieving properties of zeolitic imidazolate framework-8 (ZIF-8) by estimating the thermodynamically corrected diffusivities of probe molecules at 35 °C. From helium (2.6 Å) to iso-C 4H 10 (5.0 Å), the corrected diffusivity drops 14 orders of magnitude. Our results further suggest that the effective aperture size of ZIF-8 for molecular sieving is in the range of 4.0 to 4.2 Å, which is significantly larger than the XRD-derived value (3.4 Å) and between the well-known aperture size of zeolite 4A (3.8 Å) and 5A (4.3 Å). Interestingly, because of aperture flexibility, the studied C 4 hydrocarbon molecules that are larger than this effective aperture size still adsorb in the micropores of ZIF-8 with kinetic selectivities for iso-C 4H 8/iso-C 4H 10 of 180 and n-C 4H 10/iso-C 4H 10 of 2.5 × 10 6. These unexpected molecular sieving properties open up new opportunities for ZIF materials for separations that cannot be economically achieved by traditional microporous adsorbents such as synthetic zeolites. © 2012 American Chemical Society.

  6. Itegrated Test and Evaluation of a 4-Bed Molecular Sieve (4BMS) Carbon Dioxide Removtal System (CDRA), Mechanical Compressor Engineering Development Unit (EDU), and Sabitier Engineering Development Unit (EDU)

    Science.gov (United States)

    Knox, James C.; Campbell, Melissa; Murdoch, Karen; Miller, Lee A.; Jeng, Frank

    2005-01-01

    Currently on the International Space Station s (ISS) U.S. Segment, carbon dioxide (CO2) scrubbed from the cabin by a 4-Bed Molecular Sieve (4BMS) Carbon Dioxide Removal Assembly (CDRA) is vented overboard as a waste product. Likewise, the product hydrogen (H2) that will be generated by the Oxygen Generation Assembly (OGA) planned for installation will also be vented. A flight experiment has been proposed that will take the waste CO2 removed from the cabin, and via the catalytic Sabatier process, reduce it with waste H2 to generate water and methane. The water produced may provide cost and logistics savings for ISS by reducing the amount of water periodically re-supplied to orbit. To make this concept viable, a mechanical piston compressor and accumulator were developed for collecting and storing the CO2 from the CDRA. The compressor, accumulator and Sabatier system would be packaged together as one unit and referred to as the Carbon Dioxide Reduction Assembly (CRA). Testing was required to evaluate the performance of a 4BMS CDRA, compressor, accumulator, and Sabatier performance along with their operating rules when integrated together. This had been numerically modeled and simulated; however, testing was necessary to verify the results from the engineering analyses. Testing also allowed a better understanding of the practical inefficiencies and control issues involved in a fully integrated system versus the theoretical ideals in the model. This paper presents and discusses the results of an integrated engineering development unit test.

  7. An aluminophosphate molecular sieve with 36 crystallographically distinct tetrahedral sites.

    Science.gov (United States)

    Lee, Jun Kyu; Turrina, Alessandro; Zhu, Liangkui; Seo, Seungwan; Zhang, Daliang; Cox, Paul A; Wright, Paul A; Qiu, Shilun; Hong, Suk Bong

    2014-07-14

    The structure of the new medium-pore aluminophosphate molecular sieve PST-6 is determined by the combined use of rotation electron diffraction tomography, synchrotron X-ray powder diffraction, and computer modeling. PST-6 was prepared by calcination of another new aluminophosphate material with an unknown structure synthesized using diethylamine as a structure-directing agent, which is thought to contain bridging hydroxy groups. PST-6 has 36 crystallographically distinct tetrahedral sites in the asymmetric unit and is thus crystallographically the most complex zeolitic structure ever solved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS).

    Energy Technology Data Exchange (ETDEWEB)

    Rigali, Mark J.; Stewart, Thomas Austin

    2016-01-01

    Sandia National Laboratories has collaborated with Pleasanton Ridge Research Company (PRRC) to determine whether Sandia Octahedral Molecular Sieves (SOMS) and modified SOMs materials can be synthesized in large batches and produced in granular form. Sandia National Laboratories tested these SOMS and its variants based in aqueous chemical environments for an application-based evaluation of material performance as a sorbent. Testing focused primarily on determining the distribution coefficients (K d ) and chemical selectivity SOMs for alkali earth (Sr) ions in aqueous and dilute seawater solutions. In general the well-crystallized SOMS materials tested exhibited very high K d values (>10 6 ) in distilled water but K d values dropped substantially (%7E10 2 -10 3 ) in the dilute seawater (3%). However, one set of SOMS samples (1.4.2 and 1.4.6) provided by PRRC yielded relatively high K d (approaching 10 4 ) in dilute seawater. Further examination of these samples by scanning electron microscopy (SEM) revealed the presence of at least two phases at least one of which may be accounting for the improved K d values in dilute seawater. Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS) January 20, 2016

  9. High pressure pure- and mixed-gas separation of CO2/CH4 by thermally-rearranged and carbon molecular sieve membranes derived from a polyimide of intrinsic microporosity

    KAUST Repository

    Swaidan, Raja

    2013-11-01

    Natural gas sweetening, one of the most promising venues for the growth of the membrane gas separation industry, is dominated by polymeric materials with relatively low permeabilities and moderate selectivities. One strategy towards improving the gas transport properties of a polymer is enhancement of microporosity either by design of polymers of intrinsic microporosity (PIMs) or by thermal treatment of polymeric precursors. For the first time, the mixed-gas CO2/CH4 transport properties are investigated for a complete series of thermally-rearranged (TR) (440°C) and carbon molecular sieve (CMS) membranes (600, 630 and 800°C) derived from a polyimide of intrinsic microporosity (PIM-6FDA-OH). The pressure dependence of permeability and selectivity is reported up to 30bar for 1:1, CO2:CH4 mixed-gas feeds at 35°C. The TR membrane exhibited ~15% higher CO2/CH4 selectivity relative to pure-gas feeds due to reductions in mixed-gas CH4 permeability reaching 27% at 30bar. This is attributed to increased hindrance of CH4 transport by co-permeation of CO2. Interestingly, unusual increases in mixed-gas CH4 permeabilities relative to pure-gas values were observed for the CMS membranes, resulting in up to 50% losses in mixed-gas selectivity over the applied pressure range. © 2013 Elsevier B.V.

  10. A top-down approach to prepare silicoaluminophosphate molecular sieve nanocrystals with improved catalytic activity.

    Science.gov (United States)

    Yang, Miao; Tian, Peng; Wang, Chan; Yuan, Yangyang; Yang, Yue; Xu, Shutao; He, Yanli; Liu, Zhongmin

    2014-02-21

    Silicoaluminophosphate SAPO-34 molecular sieve nanocrystals have been prepared by a post-synthesis milling and recrystallization method, which is further proven to be universally applicable to other SAPO molecular sieves. The obtained SAPO-34 with reduced Si enrichment on the external surface shows considerably improved catalytic performance in the MTO reaction.

  11. A METHOD OF APPLYING MOLECULAR SIEVE CRYSTALS TO A SUPPORT, AND A LOADED SUPPORT THUS OBTAINED

    NARCIS (Netherlands)

    Janssen, J.C.; Van Bekkum, H.

    1993-01-01

    Abstract of WO 9300155 (A1) A method of applying molecular sieve crystals to a support, wherein the surface of the support is brought into oxidic condition, whereafter the support is contacted with a solution of the molecular sieve-forming compound or compounds or precursors thereof, whereafter

  12. Transformation of metal-organic frameworks for molecular sieving membranes

    Science.gov (United States)

    Li, Wanbin; Zhang, Yufan; Zhang, Congyang; Meng, Qin; Xu, Zehai; Su, Pengcheng; Li, Qingbiao; Shen, Chong; Fan, Zheng; Qin, Lei; Zhang, Guoliang

    2016-04-01

    The development of simple, versatile strategies for the synthesis of metal-organic framework (MOF)-derived membranes are of increasing scientific interest, but challenges exist in understanding suitable fabrication mechanisms. Here we report a route for the complete transformation of a series of MOF membranes and particles, based on multivalent cation substitution. Through our approach, the effective pore size can be reduced through the immobilization of metal salt residues in the cavities, and appropriate MOF crystal facets can be exposed, to achieve competitive molecular sieving capabilities. The method can also be used more generally for the synthesis of a variety of MOF membranes and particles. Importantly, we design and synthesize promising MOF membranes candidates that are hard to achieve through conventional methods. For example, our CuBTC/MIL-100 membrane exhibits 89, 171, 241 and 336 times higher H2 permeance than that of CO2, O2, N2 and CH4, respectively.

  13. Virtual Design of a 4-Bed Molecular Sieve for Exploration

    Science.gov (United States)

    Giesy, Timothy J.; Coker, Robert F.; O'Connor, Brian F.; Knox, James C.

    2017-01-01

    Simulations of six new 4-Bed Molecular Sieve configurations have been performed using a COMSOL (COMSOL Multiphysics - commercial software) model. The preliminary results show that reductions in desiccant bed size and sorbent bed size when compared to the International Space Station configuration are feasible while still yielding a process that handles at least 4.0 kilograms a day CO2. The results also show that changes to the CO2 sorbent are likewise feasible. Decreasing the bed sizes was found to have very little negative effect on the adsorption process; breakthrough of CO2 in the sorbent bed was observed for two of the configurations, but a small degree of CO2 breakthrough is acceptable, and water breakthrough in the desiccant beds was not observed. Both configurations for which CO2 breakthrough was observed still yield relatively high CO2 efficiency, and future investigations will focus on bed size in order to find the optimum configuration.

  14. An efficient polymer molecular sieve for membrane gas separations.

    Science.gov (United States)

    Carta, Mariolino; Malpass-Evans, Richard; Croad, Matthew; Rogan, Yulia; Jansen, Johannes C; Bernardo, Paola; Bazzarelli, Fabio; McKeown, Neil B

    2013-01-18

    Microporous polymers of extreme rigidity are required for gas-separation membranes that combine high permeability with selectivity. We report a shape-persistent ladder polymer consisting of benzene rings fused together by inflexible bridged bicyclic units. The polymer's contorted shape ensures both microporosity-with an internal surface area greater than 1000 square meters per gram-and solubility so that it is readily cast from solution into robust films. These films demonstrate exceptional performance as molecular sieves with high gas permeabilities and good selectivities for smaller gas molecules, such as hydrogen and oxygen, over larger molecules, such as nitrogen and methane. Hence, this polymer has excellent potential for making membranes suitable for large-scale gas separations of commercial and environmental relevance.

  15. Mesoporous Silica Molecular Sieve based Nanocarriers: Transpiring Drug Dissolution Research.

    Science.gov (United States)

    Pattnaik, Satyanarayan; Pathak, Kamla

    2017-01-01

    Improvement of oral bioavailability through enhancement of dissolution for poorly soluble drugs has been a very promising approach. Recently, mesoporous silica based molecular sieves have demonstrated excellent properties to enhance the dissolution velocity of poorly water-soluble drugs. Current research in this area is focused on investigating the factors influencing the drug release from these carriers, the kinetics of drug release and manufacturing approaches to scale-up production for commercial manufacture. This comprehensive review provides an overview of different methods adopted for synthesis of mesoporous materials, influence of processing factors on properties of these materials and drug loading methods. The drug release kinetics from mesoporous silica systems, the manufacturability and stability of these formulations are reviewed. Finally, the safety and biocompatibility issues related to these silica based materials are discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  16. Investigation of Y/SBA Composite Molecular Sieves Morphology Control and Catalytic Performance for n-Pentane Aromatization

    Science.gov (United States)

    Shi, Chun-Wei; Wu, Wen-Yuan; Li, Shuai; Bian, Xue; Zhao, Shan-Lin; Pei, Ming-Yuan

    2016-03-01

    Using Y molecular sieve as the core, Y/SBA-15 composite molecular sieves were prepared by different crystallization methods in the paper. The growth process and morphologies of the composite molecular sieves were controlled by adjusting the synthesis factors. The structures and acidity of two kinds of composite molecular sieves were characterized by X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscopy (TEM), and NH3-TPD. The catalysis performances of the composite molecular sieves were investigated in the aromatization reaction of n-pentane. The results indicated that the desired core-shell composite molecular sieves were obtained when the crystallization conditions were 36 hours, 100 °C and secondary crystallization. The aromatization results showed that core-shell composite molecular sieves had better selectivity for producing high application value xylenes compared to mixed-crystal composite molecular sieves.

  17. Study on the pyrolysis of cellulose for bio-oil with mesoporous molecular sieve catalysts.

    Science.gov (United States)

    Yu, Feng-wen; Ji, Deng-xiang; Nie, Yong; Luo, Yao; Huang, Cheng-jie; Ji, Jian-bing

    2012-09-01

    Mesoporous materials possess a hexagonal array of uniform mesopores, high surface areas, and moderate acidity. They are one of the important catalysts in the field of catalytic pyrolysis. In this paper, mesoporous materials of Al-MCM-41, La-Al-MCM-41, and Ce-Al-MCM-41 were synthesized, characterized, and tested as catalysts in the cellulose catalytic pyrolysis process using a fixed bed pyrolysis reactor. The results showed that mesoporous materials exhibited a strong influence on the pyrolytic behavior of cellulose. The presence of these mesoporous molecular sieve catalysts could vary the yield of products, which was that they could decrease the yield of liquid and char and increase the yield of gas product, and could promote high-carbon chain compounds to break into low-carbon chain compounds. Mesoporous molecular sieve catalysts were benefit to the reaction of dehydrogenation and deoxidation and the breakdown of carbon chain. Further, La-Al-MCM-41 and Ce-Al-MCM-41 catalysts can produce more toluene and 2-methoxy-phenol, as compared to the non-catalytic runs.

  18. Investigation of Y/SBA Composite Molecular Sieves Morphology Control and Catalytic Performance for n-Pentane Aromatization

    OpenAIRE

    Chun-Wei Shi; Wen-Yuan Wu; Shuai Li; Xue Bian; Shan-lin Zhao; Ming-Yuan Pei

    2016-01-01

    Using Y molecular sieve as the core, Y/SBA-15 composite molecular sieves were prepared by different crystallization methods in the paper. The growth process and morphologies of the composite molecular sieves were controlled by adjusting the synthesis factors. The structures and acidity of two kinds of composite molecular sieves were characterized by X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscopy (TEM), and NH3-TPD. The catalysis performances of the composi...

  19. Recovery of silica from electronic waste for the synthesis of cubic MCM-48 and its application in preparing ordered mesoporous carbon molecular sieves using a green approach

    Science.gov (United States)

    Liou, Tzong-Horng

    2012-07-01

    The electronics industry is one of the world's fastest growing manufacturing industries. However, e-waste has become a serious pollution problem. This study reports the recovery of e-waste for preparing valuable MCM-48 and ordered mesoporous carbon for the first time. Specifically, this study adopts an alkali-extracted method to obtain sodium silicate precursors from electronic packaging resin ash. The influence of synthesis variables such as gelation pH, neutral/cationic surfactant ratio, hydrothermal treatment temperature, and calcination temperature on the mesophase of MCM-48 materials is investigated. Experimental results confirm that well-ordered cubic MCM-48 materials were synthesized in strongly acidic and strongly basic media. The resulting mesoporous silica had a high surface area of 1,317 m2/g, mean pore size of about 3.0 nm, and a high purity of 99.87 wt%. Ordered mesoporous carbon with high surface area (1,715 m2/g) and uniform pore size of CMK-1 type was successfully prepared by impregnating MCM-48 template using the resin waste. The carbon structure was sensitive to the sulfuric acid concentration and carbonization temperature. Converting e-waste into MCM-48 materials not only eliminates the disposal problem of e-waste, but also transforms industrial waste into a useful nanomaterial.

  20. Molecular sieves control contamination and and insulate in thermal regenerators - A concept

    Science.gov (United States)

    Gasser, M. G.

    1970-01-01

    Zeolitic molecular sieves prolong the lives of cryogenic engines by preventing contamination of the thermal regenerators on the cold ends of closed-cycle engines. Sieves also serve as thermal insulators by preventing conduction of heat along regenerators through contiguous disks of mesh.

  1. Nanofluidic transport in branching nanochannels: a molecular sieve based on Y-junction nanotubes.

    Science.gov (United States)

    Liu, Ling; Chen, Xi

    2009-05-07

    Using molecular dynamics (MD) simulations, we study the fundamental partitioning and screening behaviors of nanofluids confined in Y-junction nanochannels, and demonstrate their feasibility as efficient molecular sieves. A flow of gas or liquid molecules is partitioned at the junction and separated into the two side branches with different volume fractions. The opening gaps of the side branches are manipulated, and the sieve characteristics are explored as the gas phase, mixture composition/ratio, and opening dimensions are varied. The studies provide design principles for a molecular sieve with maximum probability passing one type of molecule into a screening branch, and meanwhile maximizing the rejection rate of other types of molecules.

  2. Separation of Ethanol-Water MixtureUsing Type-A Zeolite Molecular Sieve

    Directory of Open Access Journals (Sweden)

    Juan Camilo Díaz

    2010-01-01

    Full Text Available This paper presents an experimental procedure for the synthesis of a type-A zeolite molecular sieve, usable in the separation of an ethanol-water mixture. The type-A zeolite molecular sieve is obtained from a reactive mixture formed by a source of alumina, a source of silica and a promoter. Characterization of the molecular sieves obtained in this work was undertaken using X-ray diffraction (XRD, adsorption isotherms and scanning electron microscopy (SEM. The results from the characterization procedures showed that part of the product presented a pore diameter suitable for the separation of an ethanol-water mixture.

  3. 14CO2 processing using an improved and robust molecular sieve cartridge

    Science.gov (United States)

    Wotte, Anja; Wordell-Dietrich, Patrick; Wacker, Lukas; Don, Axel; Rethemeyer, Janet

    2017-06-01

    Radiocarbon (14C) analysis on CO2 can provide valuable information on the carbon cycle as different carbon pools differ in their 14C signature. While fresh, biogenic carbon shows atmospheric 14C concentrations, fossil carbon is 14C free. As shown in previous studies, CO2 can be collected for 14C analysis using molecular sieve cartridges (MSC). These devices have previously been made of plastic and glass, which can easily be damaged during transport. We thus constructed a robust MSC suitable for field application under tough conditions or in remote areas, which is entirely made of stainless steel. The new MSC should also be tight over several months to allow long sampling campaigns and transport times, which was proven by a one year storage test. The reliability of the 14CO2 results obtained with the MSC was evaluated by detailed tests of different procedures to clean the molecular sieve (zeolite type 13X) and for the adsorption and desorption of CO2 from the zeolite using a vacuum rig. We show that the 14CO2 results are not affected by any contamination of modern or fossil origin, cross contamination from previous samples, and by carbon isotopic fractionation. In addition, we evaluated the direct CO2 transfer from the MSC into the automatic graphitization equipment AGE with the subsequent 14C AMS analysis as graphite. This semi-automatic approach can be fully automated in the future, which would allow a high sample throughput. We obtained very promising, low blank values between 0.0018 and 0.0028 F14C (equivalent to 50,800 and 47,200 yrs BP), which are within the analytical background and lower than results obtained in previous studies.

  4. {sup 14}CO{sub 2} processing using an improved and robust molecular sieve cartridge

    Energy Technology Data Exchange (ETDEWEB)

    Wotte, Anja, E-mail: Anja.Wotte@uni-koeln.de [Institute of Geology and Mineralogy, University of Cologne, Cologne (Germany); Wordell-Dietrich, Patrick [Thünen Institute of Climate-Smart Agriculture, Braunschweig (Germany); Wacker, Lukas [Ion Beam Physics, ETH Zurich, Zurich (Switzerland); Don, Axel [Thünen Institute of Climate-Smart Agriculture, Braunschweig (Germany); Rethemeyer, Janet [Institute of Geology and Mineralogy, University of Cologne, Cologne (Germany)

    2017-06-01

    Radiocarbon ({sup 14}C) analysis on CO{sub 2} can provide valuable information on the carbon cycle as different carbon pools differ in their {sup 14}C signature. While fresh, biogenic carbon shows atmospheric {sup 14}C concentrations, fossil carbon is {sup 14}C free. As shown in previous studies, CO{sub 2} can be collected for {sup 14}C analysis using molecular sieve cartridges (MSC). These devices have previously been made of plastic and glass, which can easily be damaged during transport. We thus constructed a robust MSC suitable for field application under tough conditions or in remote areas, which is entirely made of stainless steel. The new MSC should also be tight over several months to allow long sampling campaigns and transport times, which was proven by a one year storage test. The reliability of the {sup 14}CO{sub 2} results obtained with the MSC was evaluated by detailed tests of different procedures to clean the molecular sieve (zeolite type 13X) and for the adsorption and desorption of CO{sub 2} from the zeolite using a vacuum rig. We show that the {sup 14}CO{sub 2} results are not affected by any contamination of modern or fossil origin, cross contamination from previous samples, and by carbon isotopic fractionation. In addition, we evaluated the direct CO{sub 2} transfer from the MSC into the automatic graphitization equipment AGE with the subsequent {sup 14}C AMS analysis as graphite. This semi-automatic approach can be fully automated in the future, which would allow a high sample throughput. We obtained very promising, low blank values between 0.0018 and 0.0028 F{sup 14}C (equivalent to 50,800 and 47,200 yrs BP), which are within the analytical background and lower than results obtained in previous studies.

  5. Mesoporous molecular sieve MCM-41 synthesis from fluoride media

    Directory of Open Access Journals (Sweden)

    F. S. Bastos

    2011-12-01

    Full Text Available A study of the synthesis of MCM-41 mesoporous molecular sieves in fluoride media, having no alkaline metal ions, was performed by changing the gel composition and crystallization temperature and time. X-ray diffraction and nitrogen adsorption analyses showed that highly ordered MCM-41 samples were obtained from gels with a NH4OH/SiO2 molar ratio in the 3.25-4.3 range (room temperature synthesis or in the 4.3-20 range (24 hours at 373 K. During calcination, unit cell shrinkage, caused by high temperature polycondensation of the SiOH groups, was observed for all samples. The samples synthesized at high temperature (373 K or using low pH gels (7.5 underwent lower unit cell shrinkage than those obtained at room temperature or high pH (9.0, indicating that the former samples had lower SiOH groups content than the latter. These highly-ordered samples showed large surface area (ca. 1100 m²/g and pore volume (ca. 0.80 cm³/g, also presenting a narrow pore size distribution. Due to higher silicate polycondensation and a thicker pore wall, the samples synthesized at 373 K were more hydrothermally stable than those obtained at room temperature.

  6. Catalytic Transformation of Bio-oil to Olefins with Molecular Sieve Catalysts

    Science.gov (United States)

    Huang, Wei-wei; Gong, Fei-yan; Zhai, Qi; Li, Quan-xin

    2012-08-01

    Catalytic conversion of bio-oil into light olefins was performed by a series of molecular sieve catalysts, including HZSM-5, MCM-41, SAPO-34 and Y-zeolite. Based on the light olefins yield and its carbon selectivity, the production of light olefins decreased in the following order: HZSM-5>SAPO-34>MCM-41> Y-zeolite. The highest olefins yield from bio-oil using HZSM-5 catalyst reached 0.22 kg/kgbio-oil with carbon selectivity of 50.7% and a nearly complete bio-oil conversion. The reaction conditions and catalyst characterization were investigated in detail to reveal the relationship between the catalyst structure and the production of olefins. The comparison between the pyrolysis and catalytic pyrolysis of bio-oil was also performed.

  7. Structure–property tuning in hydrothermally stable sol–gel-processed hybrid organosilica molecular sieving membranes

    NARCIS (Netherlands)

    ten Elshof, Johan E.; Dral, Albertine Petra

    2016-01-01

    Supported microporous organosilica membranes made from bridged silsesquioxane precursors by an acid-catalyzed sol–gel process have demonstrated a remarkable hydrothermal stability in pervaporation and gas separation processes, making them the first generation of ceramic molecular sieving membranes

  8. Absolute molecular sieve separation of ethylene/ethane mixtures with silver zeolite A.

    Science.gov (United States)

    Aguado, Sonia; Bergeret, Gérard; Daniel, Cecile; Farrusseng, David

    2012-09-12

    Absolute ethylene/ethane separation is achieved by ethane exclusion on silver-exchanged zeolite A adsorbent. This molecular sieving type separation is attributed to the pore size of the adsorbent, which falls between ethylene and ethane kinetic diameters.

  9. Molecular simulation and experimental studies of a mesoporous ZSM-5 type molecular sieve.

    Science.gov (United States)

    Liu, Baoyu; Wu, Yongbiao; Liu, Defei; Wu, Ying; Xi, Hongxia; Qian, Yu

    2013-02-28

    The mesoporous zeolite is a novel porous material possessing mesopores as well as the inherent micropores of zeolites. This material can exhibit the dual merits of two different pore structures and enable zeolites to have maximum structural functions. During the past few decades, various synthetic strategies have been well developed. However, up to now, there has only been a few attempts to model mesoporous zeolites. In this paper, the structural properties of a mesoporous ZSM-5 type molecular sieve, which has mesopore walls that are made up of ZSM-5 zeolite-like frameworks, were studied using an atomistic model. The full-atom model of the mesoporous ZSM-5 type molecular sieve was constructed using a molecular modeling technique. The structure model was characterized by estimating the nitrogen accessible solvent surface area, small-angle and wide-angle X-ray diffraction patterns, toluene and benzene adsorption. It was found that these simulated results match well with the experimental data. Furthermore, the present approach can be extended to construct other micro-mesoporous molecular sieve structure models in the future.

  10. Self-Assembly and Dynamics of Organic 2D Molecular Sieves: Ab Initio and Molecular Dynamics Studies

    Science.gov (United States)

    St. John, Alexander; Wexler, Carlos

    2015-03-01

    Spontaneous molecular self-assembly is a promising route for bottom-up manufacturing of two-dimensional (2D) nanostructures with specific topologies on atomically flat surfaces. Of particular interest is the possibility of selective lock-and-key interaction of guest molecules inside cavities formed by complex self-assembled host structures. Our host structure is a monolayer consisting of interdigitated 1,3,5-tristyrylbenzene substituted by alkoxy peripheral chains containing n = 6, 8, 10, 12, or 14 carbon atoms (TSB3,5-C n) deposited on a highly ordered pyrolytic graphite (HOPG) surface. Using ab initio methods from quantum chemistry and molecular dynamics simulations, we construct and analyze the structure and functionality of the TSB3,5-C n monolayer as a molecular sieve. Supported by ACS-PRF 52696-ND5.

  11. n-alkane profiles of engine lubricating oil and particulate matter by molecular sieve extraction.

    Science.gov (United States)

    Caravaggio, Gianni A; Charland, Jean-Pierre; Macdonald, Penny; Graham, Lisa

    2007-05-15

    As part of the Canadian Atmospheric Fine Particle Research Program to obtain reliable primary source emission profiles, a molecular sieve method was developed to reliably determine n-alkanes in lubricating oils, vehicle emissions, and mobile source dominated ambient particulate matter (PM). This work was also initiated to better calculate carbon preference index values (CPI: the ratio of the sums of odd over even n-alkanes), a parameter for estimating anthropogenic versus biogenic contributions in PM. n-Alkanes in lubricating oil and mobile source dominated PM are difficult to identify and quantify by gas chromatography due to the presence of similar components that cannot be fully resolved. This results in a hump, the unresolved complex mixture (UCM) that leads to incorrect n-alkane concentrations and CPI values. The sieve method yielded better chromatography, unambiguous identification of n-alkanes and allowed examination of differences between n-alkane profiles in light (LDV) and heavy duty vehicle (HDV) lubricating oils that would have been otherwise difficult. These profile differences made it possible to relate the LDV profile to that of the PM samples collected during a tunnel study in August 2001 near Vancouver (British Columbia, Canada). The n-alkane PM data revealed that longer sampling times result in a negative artifact, i.e., the desorption of the more volatile n-alkanes from the filters. Furthermore, the sieve procedure yielded n-alkane data that allowed calculation of accurate CPI values for lubricating oils and PM samples. Finally, this method may prove helpful in estimating the respective diesel and gasoline contributions to ambient PM.

  12. Four Bed Molecular Sieve - Exploration (4BMS-X) Virtual Heater Design and Optimization

    Science.gov (United States)

    Schunk, R. Gregory; Peters, Warren T.; Thomas, John T., Jr.

    2017-01-01

    A 4BMS-X (Four Bed Molecular Sieve - Exploration) design and heater optimization study for CO2 sorbent beds in proposed exploration system architectures is presented. The primary objectives of the study are to reduce heater power and thermal gradients within the CO2 sorbent beds while minimizing channeling effects. Some of the notable changes from the ISS (International Space Station) CDRA (Carbon Dioxide Removal Assembly) to the proposed exploration system architecture include cylindrical beds, alternate sorbents and an improved heater core. Results from both 2D and 3D sorbent bed thermal models with integrated heaters are presented. The 2D sorbent bed models are used to optimize heater power and fin geometry while the 3D models address end effects in the beds for more realistic thermal gradient and heater power predictions.

  13. In-situ preparation of functionalized molecular sieve material and a methodology to remove template

    Science.gov (United States)

    Yadav, Rekha; Ahmed, Maqsood; Singh, Arvind Kumar; Sakthivel, Ayyamperumal

    2016-03-01

    A series of diaminosilane-functionalized silicoaluminophosphate molecular sieve (SAPO-37) was prepared by in-situ synthesis, and a novel method was developed for the selective removal of structure directing agent (SDA)/template from the functionalized SAPO-37.The complete removal of the SDA was evident according to FT-IR, TGA, 13C MAS-NMR and elemental analysis. The developed method was found to be efficient for removal of template from microporous molecular sieve viz., SAPO-37 and can be applied for other microporous molecular sieves such as SAPO-5, SAPO-40, etc. The powder XRD pattern of the template-removed samples showed a highly crystalline SAPO-37 phase. Argentometric titration revealed that more than 90% of diamine functionality exposed on the surface was accessible for catalytic applications. The resultant materials showed promising activity for ring opening of epoxide with aniline to yield β-amino-alcohol.

  14. Update on N2O4 Molecular Sieving with 3A Material at NASA/KSC

    Science.gov (United States)

    Davis, Chuck; Dorn, Claudia

    2000-01-01

    During its operational life, the Shuttle Program has experienced numerous failures in the Nitrogen Tetroxide (N2O4) portion of Reaction Control System (RCS), many of which were attributed to iron-nitrate contamination. Since the mid-1980's, N2O4 has been processed through a molecular sieve at the N2O4 manufacturer's facility which results in an iron content typically less than 0.5 parts-per-million-by-weight (ppmw). In February 1995, a Tiger Team was formed to attempt to resolve the iron nitrate problem. Eighteen specific actions were recommended as possibly reducing system failures. Those recommended actions include additional N2O4 molecular sieving at the Shuttle launch site. Testing at NASA White Sands Test Facility (WSTF) determined an alternative molecular sieve material could also reduce the water-equivalent content (free water and HNO3) and thereby further reduce the natural production of iron nitrate in N2O4 while stored in iron-alloy storage tanks. Since April '96, NASA Kennedy Space Center (KSC) has been processing N2O4 through the alternative molecular sieve material prior to delivery to Shuttle launch pad N2O4 storage tanks. A new, much larger capacity molecular sieve unit has also been used. This paper will evaluate the effectiveness of N2O4 molecular sieving on a large-scale basis and attempt to determine if the resultant lower-iron and lower-water content N2O4 maintains this new purity level in pad storage tanks and shuttle flight systems.

  15. Hydrogen isotope separation using molecular sieve of synthetic zeolite 3A

    Energy Technology Data Exchange (ETDEWEB)

    Kotoh, K.; Kimura, K.; Nakamura, Y.; Kudo, K. [Faculty of Engineering, Kyushu Univ., 744 Moto-oka, Nishi-ku, Fukuoka 819-0395 (Japan)

    2008-07-15

    It is known that hydrogen isotope molecules can be adsorbed easily onto synthetic zeolite 4A, 5A, and 13X at the liquid-nitrogen temperature of 77.4 K. We show here that hydrogen and deuterium are not adsorptive onto zeolite 3A at the same temperature. This phenomenon is explained by assuming the molecular sieve function in zeolite-3A-crystalline lattice structure. From a series of pseudo-isobaric experiments, it is also shown that the sieving phenomenon appears in a range above 77.4 K. This behavior is interpreted as resulting on the dependence of sieve's mesh size on temperature, where the sieving effect is considered to appear at a certain temperature. In this interpretation, an isotopic difference between hydrogen and deuterium is suggested to exist in the sieving effect appearance temperatures. This is endorsed in the result of pseudo-isobaric experiments. This temperature deference is very significant because that indicates the possibility of an effective method of hydrogen isotope separation. This possibility is verified through an experimental series of adsorption-desorption with a mixture of H{sub 2} and D{sub 2}, where the gas samples adsorbed through the sieve operated at intentionally selected temperatures are isolated and then analyzed. The result demonstrates remarkable values of isotope separation factor. (authors)

  16. Synthesis and Characterization of the TAPO-5 Molecular Sieve

    Directory of Open Access Journals (Sweden)

    Rios Sarah P.O.

    2002-01-01

    Full Text Available Aluminophosphate sieves with AFI structure substituted by Ti (denominated TAPO-5 have been synthesized hydrothermally. These materials were characterized by X-ray diffraction (XRD, chemical analysis (ICP, scanning electronic microscopy (SEM, ultraviolet diffuse reflectance spectroscopy (DRS-UV and thermogravimetric analysis (TGA. XRD results showed the materials have good TAPO-5 crystallinity, although DRS-UV spectra indicated anatase phase as contamination. TGA analysis showed mass loss in the range of high temperatures, which can be attributed to protonated template decomposition. This indicates the existence of structural charge as a consequence of Ti incorporation into AFI structure

  17. Tritium recovery from helium purge stream of solid breeder blanket by cryogenic molecular sieve bed. 2. Regeneration operation of cryogenic molecular sieve bed

    Energy Technology Data Exchange (ETDEWEB)

    Kawamura, Yoshinori; Enoeda, Mikio; Nishi, Masataka [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    Regeneration operation is a very important operation, because it is the most influential factor for deciding the net operation cycle time and the minimum dimension of Cryogenic Molecular Sieve Bed (CMSB). However, the experimental data of CMSB regeneration operation was not so sufficient that even the optimum regeneration procedure could not be decided yet. This work was focused on getting the primary information about various regeneration procedures. (author)

  18. Application of 3A molecular sieve layer in dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yuan; Wang, Jinzhong, E-mail: jinzhong-wang@hit.edu.cn, E-mail: qingjiang.yu@hit.edu.cn; Yu, Qingjiang, E-mail: jinzhong-wang@hit.edu.cn, E-mail: qingjiang.yu@hit.edu.cn; Huang, Yuewu; Chang, Quanhong; Hao, Chunlei; Jiao, Shujie; Gao, Shiyong; Li, Hongtao; Wang, Dongbo [Department of Opto-Electric Information Science, School of Materials Science and Engineering, Harbin Institute of Technology, 150001 Harbin (China)

    2014-08-25

    3A molecular sieve layer was used as dehydration and electronic-insulation layer on the TiO{sub 2} electrode of dye-sensitized solar cells. This layer diminished the effect of water in electrolyte efficiently and enhanced the performance of cells. The conversion efficiency increased from 9.58% to 10.2%. The good moisture resistance of cells was attributed to the three-dimensional interconnecting structure of 3A molecular sieve with strong adsorption of water molecule. While the performance enhancement benefited from the suppression of the charge recombination of electronic-insulation layer and scattering effect of large particles.

  19. [Preparation and evaluation of novel mesoporous molecular sieve of baicalin surface molecularly imprinted polymers].

    Science.gov (United States)

    Gu, Xia-li; He, Hong-liang; Shi, Li-ying; Gao, Yan-kun; Chen, Li-na

    2015-05-01

    Taking mesoporous molecular sieve MCM-41 as a substrate, baicalin (BA) as template, acrylamide (AM) as the functional monomer, ethylene glycol dimethacrylate (EGDMA) as a cross-linking agent, ethanol as solvent, under thermal polymerization initiator of azobis isobutyronitrilo (AIBN) , a kind of selective recognition of baicalin surface molecularly imprinted polymer was synthesized. The surface morphologies and characteristics of the MIPs were characterized by infrared spectroscopy (IR) and transmission electron microscope (TEM). The adsorption properties of polymer microsphere for the template were tested by the dynamic adsorption equilibrium experiments and static adsorption equilibrium experiments. The experiment showed that the imprinting process was successfully and the well-ordered one-dimensional pore structure of MCM-41 was still preserved. Furthermore, molecularly imprinted polymers had higher selective ability for BA, then provided a new method for the efficient separation and enrichment of baicalin active ingredients from medicinal plants Scutellaria baicalensis.

  20. Experiments for the Undergraduate Laboratory that Illustrate the Size-Exclusion Properties of Zeolite Molecular Sieves

    Science.gov (United States)

    Cooke, Jason; Henderson, Eric J.

    2009-01-01

    Experiments are presented that demonstrate the size-exclusion properties of zeolites and reveal the reason for naming zeolites "molecular sieves". If an IR spectrometer is available, the adsorption or exclusion of alcohols of varying sizes from dichloromethane or chloroform solutions can be readily demonstrated by monitoring changes in the…

  1. Synthesis and chemistry of chromium in CrAPO-5 molecular sieves

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Schoonheydt, R.A.

    1994-01-01

    CrAPO-5 molecular sieves were synthesized hydrothermally starting with different Cr precursors and Cr and template contents. The behavior of Cr was investigated spectroscopically by diffuse reflectance spectroscopy (d.r.s.) and electron spin resonance (e.s.r.). In the gels, Cr 3+ and Cr 8+ are

  2. Chemical synthesis of oriented ferromagnetic LaSr-2 × 4 manganese oxide molecular sieve nanowires.

    Science.gov (United States)

    Carretero-Genevrier, Adrián; Gazquez, Jaume; Magén, César; Varela, María; Ferain, Etienne; Puig, Teresa; Mestres, Narcís; Obradors, Xavier

    2012-06-25

    We report a chemical solution based method using nanoporous track-etched polymer templates for producing long and oriented LaSr-2 × 4 manganese oxide molecular sieve nanowires. Scanning transmission electron microscopy and electron energy loss spectroscopy analyses show that the nanowires are ferromagnetic at room temperature, single crystalline, epitaxially grown and self-aligned.

  3. A reconstruction strategy to synthesize mesoporous SAPO molecular sieve single crystals with high MTO catalytic activity.

    Science.gov (United States)

    Wang, Chan; Yang, Miao; Li, Mingrun; Xu, Shutao; Yang, Yue; Tian, Peng; Liu, Zhongmin

    2016-05-11

    Mesoporous SAPO-34 single crystals with tunable porosity and Si content have been fast synthesized within 4 hours by a reconstruction strategy, which show excellent hydrothermal stability and MTO catalytic activity. This new strategy is further proven to be applicable to prepare other mesoporous SAPO molecular sieve single crystals.

  4. Sieving hydrogen based on its high compressibility

    Science.gov (United States)

    Chen, Hangyan; Sun, Deyan; Gong, Xingao; Liu, Zhifeng

    2011-03-01

    Based on carbon nanotube intramolecular junction and a C60, a molecular sieve for hydrogen is presented. The small interspace between C60 and junction provides a size changeable channel for the permselectivity of hydrogen while blocking Ne and Ar. The sieving mechanism is due to the high compressibility of hydrogen.

  5. Oxygen isotopic fractionation of O₂ during adsorption and desorption processes using molecular sieve at low temperatures.

    Science.gov (United States)

    Ahn, Insu; Kusakabe, Minoru; Lee, Jong Ik

    2014-06-15

    Cryogenic trapping using molecular sieves is commonly used to collect O2 extracted from silicates for (17)O/(16)O and (18)O/(16)O analyses. However, gases which interfere with (17)O/(16)O analysis, notably NF3, are also trapped and their removal is essential for accurate direct measurement of the (17)O/(16)O ratio. It is also necessary to identify and quantify any isotopic fractionation associated with the use of cryogenic trapping using molecular sieves. The oxygen isotopic compositions of O2 before and after desorption from, and adsorption onto, 13X and 5A molecular sieves (MS13X and MS5A) at 0°C, -78°C, -114°C, and -130°C were measured in order to determine the oxygen isotopic fractionation at these temperatures. We also investigated whether isotopic fractionation occurred when O2 gas was transferred sequentially into a second cold finger, also containing molecular sieve. It was confirmed that significant oxygen isotopic fractionation occurs between the gaseous O2 and that adsorbed onto molecular sieve, if desorption and adsorption are incomplete. As the fraction of released or untrapped O2 becomes smaller with decreasing trapping temperature (from 0 to -130°C), the isotopic fractionation becomes larger. Approximately half of the total adsorbed O2 is released from the molecular sieve during desorption at -114°C, which is the temperature recommended for separation from NF3 (retained on the molecular sieve), and this will interfere with (17)O/(16)O measurements. The use of a single cold finger should be avoided, because partial desorption is accompanied by oxygen isotopic fractionation, thereby resulting in inaccurate isotopic data. The use of a dual cold finger arrangement is recommended because, as we have confirmed, the transfer of O2 from the first trap to the second is almost 100%. However, even under these conditions, a small isotopic fractionation (0.18 ± 0.05‰ in δ(17)O values and 0.26 ± 0.06‰ in δ(18)O values) occurred, with O2 in

  6. Controlled thermal oxidative crosslinking of polymers of intrinsic microporosity towards tunable molecular sieve membranes.

    Science.gov (United States)

    Song, Qilei; Cao, Shuai; Pritchard, Robyn H; Ghalei, Behnam; Al-Muhtaseb, Shaheen A; Terentjev, Eugene M; Cheetham, Anthony K; Sivaniah, Easan

    2014-09-04

    Organic open frameworks with well-defined micropore (pore dimensions below 2 nm) structure are attractive next-generation materials for gas sorption, storage, catalysis and molecular level separations. Polymers of intrinsic microporosity (PIMs) represent a paradigm shift in conceptualizing molecular sieves from conventional ordered frameworks to disordered frameworks with heterogeneous distributions of microporosity. PIMs contain interconnected regions of micropores with high gas permeability but with a level of heterogeneity that compromises their molecular selectivity. Here we report controllable thermal oxidative crosslinking of PIMs by heat treatment in the presence of trace amounts of oxygen. The resulting covalently crosslinked networks are thermally and chemically stable, mechanically flexible and have remarkable selectivity at permeability that is three orders of magnitude higher than commercial polymeric membranes. This study demonstrates that controlled thermochemical reactions can delicately tune the topological structure of channels and pores within microporous polymers and their molecular sieving properties.

  7. Controlled thermal oxidative crosslinking of polymers of intrinsic microporosity towards tunable molecular sieve membranes

    Science.gov (United States)

    Song, Qilei; Cao, Shuai; Pritchard, Robyn H.; Ghalei, Behnam; Al-Muhtaseb, Shaheen A.; Terentjev, Eugene M.; Cheetham, Anthony K.; Sivaniah, Easan

    2014-09-01

    Organic open frameworks with well-defined micropore (pore dimensions below 2 nm) structure are attractive next-generation materials for gas sorption, storage, catalysis and molecular level separations. Polymers of intrinsic microporosity (PIMs) represent a paradigm shift in conceptualizing molecular sieves from conventional ordered frameworks to disordered frameworks with heterogeneous distributions of microporosity. PIMs contain interconnected regions of micropores with high gas permeability but with a level of heterogeneity that compromises their molecular selectivity. Here we report controllable thermal oxidative crosslinking of PIMs by heat treatment in the presence of trace amounts of oxygen. The resulting covalently crosslinked networks are thermally and chemically stable, mechanically flexible and have remarkable selectivity at permeability that is three orders of magnitude higher than commercial polymeric membranes. This study demonstrates that controlled thermochemical reactions can delicately tune the topological structure of channels and pores within microporous polymers and their molecular sieving properties.

  8. Aminopropyl-modified mesoporous molecular sieves as efficient adsorbents for removal of auxins

    Energy Technology Data Exchange (ETDEWEB)

    Moritz, Michał, E-mail: michal.moritz@put.poznan.pl [Poznan University of Technology, Faculty of Chemical Technology, Institute of Chemistry and Technical Electrochemistry, Berdychowo 4, 60-965 Poznań (Poland); Geszke-Moritz, Małgorzata, E-mail: Malgorzata.Geszke-Moritz@amu.edu.pl [NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland)

    2015-03-15

    Graphical abstract: Adsorption of indole-3-acetic acid (IAA) on aminopropyl-modified mesoporous sieves. - Highlights: • Four types of mesoporous molecular sieves were used as sorbents for removal of auxins. • SBA-15, MCF, PHTS and SBA-16 were grafted with (3-aminopropyl)triethoxysilane. • The adsorption capacity of modified materials was higher as compared to pure silicas. • Surface modification and pore volume play important role in adsorption process. - Abstract: In the present study, mesoporous siliceous materials grafted with 3-aminopropyltriethoxysilane (APTES) were examined as sorbents for removal of chosen plant growth factors (auxins) such as 1-naphthaleneacetic acid (NAA), indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA). Four different types of mesoporous molecular sieves including SBA-15, PHTS, SBA-16 and MCF have been prepared via non-ionic surfactant-assisted soft templating method. Silica molecular sieves were thoroughly characterized by nitrogen adsorption–desorption analysis, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FT-IR). The maximum adsorption capacity (Q{sub max}) for NAA, IAA and IBA was in the range from 51.0 to 140.8 mg/g and from 4.3 to 7.3 mg/g for aminopropyl-modified adsorbents and pure silicas, respectively. The best adsorption performance was observed for IAA entrapment using both APTES-functionalized SBA-15 and MCF matrices (Q{sub max} of 140.8 and 137.0 mg/g, respectively) which can be ascribed to their larger pore volumes and pore diameters. Moreover, these silicas were characterized by the highest adsorption efficiency exceeding 90% at low pollutant concentration. The experimental points for adsorption of plant growth factors onto aminopropyl-modified mesoporous molecular sieves fitted well to the Langmuir equation.

  9. Difunctional polyisobutylene prepared by polymerization of monomer on molecular sieve

    Science.gov (United States)

    Midler, J. A., Jr.

    1970-01-01

    Process yields difunctional isobutylene polymers ranging in molecular weight from 1150 to 3600. These polymers have the potential for copolymerization and cross-linking with other monomers to form elastomeric materials.

  10. Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations

    KAUST Repository

    Liu, Gongping

    2018-02-09

    Membrane-based separations can improve energy efficiency and reduce the environmental impacts associated with traditional approaches. Nevertheless, many challenges must be overcome to design membranes that can replace conventional gas separation processes. Here, we report on the incorporation of engineered submicrometre-sized metal–organic framework (MOF) crystals into polymers to form hybrid materials that successfully translate the excellent molecular sieving properties of face-centred cubic (fcu)-MOFs into the resultant membranes. We demonstrate, simultaneously, exceptionally enhanced separation performance in hybrid membranes for two challenging and economically important applications: the removal of CO2 and H2S from natural gas and the separation of butane isomers. Notably, the membrane molecular sieving properties demonstrate that the deliberately regulated and contracted MOF pore-aperture size can discriminate between molecular pairs. The improved performance results from precise control of the linkers delimiting the triangular window, which is the sole entrance to the fcu-MOF pore. This rational-design hybrid approach provides a general toolbox for enhancing the transport properties of advanced membranes bearing molecular sieve fillers with sub-nanometre-sized pore-apertures.

  11. Evaluation of RTV as a Moldable Matrix When Combined With Molecular Sieve and Organic Hydrogen Getter

    Energy Technology Data Exchange (ETDEWEB)

    Knight, J. A.

    2011-12-01

    This work was undertaken in an effort to develop a combined RTV 615/3Å molecular sieve/DEB molded component. A molded RTV 615/3Å molecular sieve component is currently in production, and an RTV 615/DEB component was produced in the past. However, all three materials have never before been combined in a single production part, and this is an opportunity to create a new component capable of being molded to shape, performing desiccation, and hydrogen gettering. This analysis looked at weapons system parameters and how they might influence part design. It also looked at material processing and how it related to mixing, activating a dessicant, and hydrogen uptake testing.

  12. Synthesis of 4-nitrophenyl acetate using molecular sieve-immobilized lipase from Bacillus coagulans.

    Science.gov (United States)

    Raghuvanshi, Shilpa; Gupta, Reena

    2009-03-01

    Extracellular lipase from Bacillus coagulans BTS-3 was immobilized on (3 A x 1.5 mm) molecular sieve. The molecular sieve showed approximately 68.48% binding efficiency for lipase (specific activity 55 IU mg(-1)). The immobilized enzyme achieved approx 90% conversion of acetic acid and 4-nitrophenol (100 mM each) into 4-nitrophenyl acetate in n-heptane at 65 degrees C in 3 h. When alkane of C-chain length other than n-heptane was used as the organic solvent, the conversion of 4-nitrophenol and acetic acid was found to decrease. About 88.6% conversion of the reactants into ester was achieved when reactants were used at molar ratio of 1:1. The immobilized lipase brought about conversion of approximately 58% for esterification of 4-nitrophenol and acetic acid into 4-nitrophenyl acetate at a temperature of 65 degrees C after reuse for 5 cycles.

  13. [Removal Characteristics of Elemental Mercury by Mn-Ce/molecular Sieve].

    Science.gov (United States)

    Tan, Zeng-qiang; Niu, Guo-ping; Chen, Xiao-wen; An, Zhen

    2015-06-01

    The impregnation method was used to support molecular sieve with active manganese and cerium components to obtain a composite molecular sieve catalyst. The mercury removal performance of the catalyst was studied with a bench-scale setup. XPS analysis was used to characterize the sample before and after the modification in order to study the changes in the active components of the catalyst prepared. The results showed that the catalyst carrying manganese and cerium components had higher oxidation ability of elemental mercury in the temperature range of 300 degrees C - 450 degrees C, especially at 450 degrees C, the oxidation efficiency of elemental mercury was kept above 80%. The catalyst had more functional groups that were conducive to the oxidation of elemental mercury, and the mercury removal mainly depended on the chemical adsorption. The SO2 and NO in flue gas could inhibit the oxidation of elemental mercury to certain extent.

  14. Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agents.

    Science.gov (United States)

    Schmidt, Joel E; Deem, Michael W; Davis, Mark E

    2014-08-04

    Crystalline molecular sieves are used in numerous applications, where the properties exploited for each technology are the direct consequence of structural features. New materials are typically discovered by trial and error, and in many cases, organic structure-directing agents (OSDAs) are used to direct their formation. Here, we report the first successful synthesis of a specified molecular sieve through the use of an OSDA that was predicted from a recently developed computational method that constructs chemically synthesizable OSDAs. Pentamethylimidazolium is computationally predicted to have the largest stabilization energy in the STW framework, and is experimentally shown to strongly direct the synthesis of pure-silica STW. Other OSDAs with lower stabilization energies did not form STW. The general method demonstrated here to create STW may lead to new, simpler OSDAs for existing frameworks and provide a way to predict OSDAs for desired, theoretical frameworks. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Microporous Polyamide Membranes for Molecular Sieving of Nitrogen from Volatile Organic Compounds.

    Science.gov (United States)

    Zhou, Haoli; Tao, Fei; Liu, Quan; Zong, Chunxin; Yang, Wenchao; Cao, Xingzhong; Jin, Wanqin; Xu, Nanping

    2017-05-15

    Microporous polymer membranes continue to receive tremendous attention for energy-efficient gas separation processes owing to their high separation performances. A new network microporous polyamide membrane with good molecular-sieving performance for the separation of N2 from a volatile organic compound (VOC) mixture is described. Triple-substituted triptycene was used as the main monomer to form a fisherman's net-shaped polymer, which readily forms a composite membrane by solution casting. This membrane exhibited outstanding separation performance and good stability for the molecular-sieving separation of N2 over VOCs such as cyclohexane. The rejection rate of the membrane reached 99.2 % with 2098 Barrer N2 permeability at 24 °C under 4 kPa. This approach promotes development of microporous membranes for separation of condensable gases. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Energy-efficient hydrogen separation by AB-type ladder-polymer molecular sieves.

    Science.gov (United States)

    Ghanem, Bader S; Swaidan, Raja; Ma, Xiaohua; Litwiller, Eric; Pinnau, Ingo

    2014-10-22

    Increases in hydrogen selectivity of more than 100% compared with the most selective ladder polymer of intrinsic microporosity (PIM) reported to date are achieved with self-polymerized A-B-type ladder monomers comprising rigid and three-dimensional 9,10-dialkyl-substituted triptycene moieties. The selectivities match those of materials commercially employed in hydrogen separation, but the gas permeabilities are 150-fold higher. This new polymer molecular sieve is also the most selective PIM for air separation.

  17. Stability of Y/MCM-48 composite molecular sieve with mesoporous and microporous structures

    Directory of Open Access Journals (Sweden)

    Qian Zhao

    2014-12-01

    Full Text Available Y/MCM-48 composite molecular sieve was hydrothermally synthesized at different crystallization temperatures and crystallization times using ethyl orthosilicate as Si source and cetyltrimethyl ammonium bromide as template with the aid of fluoride ions and was characterized by X-ray diffraction, N2 physical adsorption technique, scanning electron microscopy and transmission electron microscopy. The thermal, hydrothermal, acidic, and basic stabilities of the Y/MCM-48 composite were investigated. The results show that Y/MCM-48 composite molecular sieve with meso- and microporous structures was synthesized successfully at 120 °C for 36 h. The Y/MCM-48 composite has the surface area of 864 m2/g and the average pore size is ca. 2.48 nm. The bi-porous structure in composite molecular sieve still maintains its stability even after thermal treatment at 800 °C for 4 h or hydrothermal treatment at 100 °C for 48 h. After treatment in 1 mol/L hydrochloric acid solution or 1 mol/L sodium hydroxide solution for 48 h, the Y/MCM-48 composite exhibits good acidic stability. The acidic stability is superior to the basic stability at the same treatment time.

  18. MOLECULAR SIEVES AS CATALYSTS FOR METHANOL DEHYDRATION IN THE LPDMEtm PROCESS

    Energy Technology Data Exchange (ETDEWEB)

    Andrew W. Wang

    2002-04-01

    Several classes of molecular sieves were investigated as methanol dehydration catalysts for the LPDME{trademark} (liquid-phase dimethyl ether) process. Molecular sieves offer a number of attractive features as potential catalysts for the conversion of methanol to DME. These include (1) a wide range of acid strengths, (2) diverse architectures and channel connectivities that provide latitude for steric control, (3) high active site density, (4) well-investigated syntheses and characterization, and (5) commercial availability in some cases. We directed our work in two areas: (1) a general exploration of the catalytic behavior of various classes of molecular sieves in the LPDME{trademark} system and (2) a focused effort to prepare and test zeolites with predominantly Lewis acidity. In our general exploration, we looked at such diverse materials as chabazites, mordenites, pentasils, SAPOs, and ALPOs. Our work with Lewis acidity sought to exploit the structural advantages of zeolites without the interfering effects of deleterious Broensted sites. We used zeolite Ultrastable Y (USY) as our base material because it possesses a high proportion of Lewis acid sites. This work was extended by modifying the USY through ion exchange to try to neutralize residual Broensted acidity.

  19. Aminopropyl-modified mesoporous molecular sieves as efficient adsorbents for removal of auxins

    Science.gov (United States)

    Moritz, Michał; Geszke-Moritz, Małgorzata

    2015-03-01

    In the present study, mesoporous siliceous materials grafted with 3-aminopropyltriethoxysilane (APTES) were examined as sorbents for removal of chosen plant growth factors (auxins) such as 1-naphthaleneacetic acid (NAA), indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA). Four different types of mesoporous molecular sieves including SBA-15, PHTS, SBA-16 and MCF have been prepared via non-ionic surfactant-assisted soft templating method. Silica molecular sieves were thoroughly characterized by nitrogen adsorption-desorption analysis, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FT-IR). The maximum adsorption capacity (Qmax) for NAA, IAA and IBA was in the range from 51.0 to 140.8 mg/g and from 4.3 to 7.3 mg/g for aminopropyl-modified adsorbents and pure silicas, respectively. The best adsorption performance was observed for IAA entrapment using both APTES-functionalized SBA-15 and MCF matrices (Qmax of 140.8 and 137.0 mg/g, respectively) which can be ascribed to their larger pore volumes and pore diameters. Moreover, these silicas were characterized by the highest adsorption efficiency exceeding 90% at low pollutant concentration. The experimental points for adsorption of plant growth factors onto aminopropyl-modified mesoporous molecular sieves fitted well to the Langmuir equation.

  20. Photocatalytic reduction of CO2 over Cu-TiO2 /molecular sieve 5A composite.

    Science.gov (United States)

    Srinivas, Basavaraju; Shubhamangala, Ballamoole; Lalitha, Kannekanti; Reddy, Police Anil Kumar; Kumari, Valluri Durga; Subrahmanyam, Machiraju; De, Bhudev Ranjan

    2011-01-01

    TiO(2) and different Cu wt% loaded TiO(2) (TC(0.5-5.0)), 10 wt% TC(2.0) supported on molecular sieve 5A (10 wt% TC(2.0)/MS) were prepared by impregnation and solid-state dispersion methods. The photocatalysts prepared were characterized using XRD, SEM, and UV-Vis DRS, TEM, XPS spectroscopy techniques. Photocatalytic reduction of CO(2) in water and alkaline solution are investigated in a batch reactor. The yield of oxalic acid increased notably when TC was supported on molecular sieve. The Cu-TiO(2) supported on molecular sieve catalyst promotes the charge separation that leads to an increase in the selective formation of oxalic acid in addition to methanol, acetic acid and traces of methane. The product formation is due to the high adsorption of CO(2), water and product shape selectivity of the composite photocatalyst. The maximum yield of oxalic acid was found to be 65.6 μg h(-1) g(-1) per cat using 0.2 N NaOH containing solution over 10 wt% TC(2.0)/MS photocatalyst. The difference in the photocatalytic activity is related to its physicochemical properties. © 2011 The Authors. Photochemistry and Photobiology © 2011 The American Society of Photobiology.

  1. A pervaporation study of ammonia solutions using molecular sieve silica membranes.

    Science.gov (United States)

    Yang, Xing; Fraser, Thomas; Myat, Darli; Smart, Simon; Zhang, Jianhua; Diniz da Costa, João C; Liubinas, Audra; Duke, Mikel

    2014-02-17

    An innovative concept is proposed to recover ammonia from industrial wastewater using a molecular sieve silica membrane in pervaporation (PV), benchmarked against vacuum membrane distillation (VMD). Cobalt and iron doped molecular sieve silica-based ceramic membranes were evaluated based on the ammonia concentration factor downstream and long-term performance. A modified low-temperature membrane evaluation system was utilized, featuring the ability to capture and measure ammonia in the permeate. It was found that the silica membrane with confirmed molecular sieving features had higher water selectivity over ammonia. This was due to a size selectivity mechanism that favoured water, but blocked ammonia. However, a cobalt doped silica membrane previously treated with high temperature water solutions demonstrated extraordinary preference towards ammonia by achieving up to a 50,000 mg/L ammonia concentration (a reusable concentration level) measured in the permeate when fed with 800 mg/L of ammonia solution. This exceeded the concentration factor expected by the benchmark VMD process by four-fold, suspected to be due to the competitive adsorption of ammonia over water into the silica structure with pores now large enough to accommodate ammonia. However, this membrane showed a gradual decline in selectivity, suspected to be due to the degradation of the silica material/pore structure after several hours of operation.

  2. Modification of 13X Molecular Sieve by Chitosan for Adsorptive Removal of Cadmium from Simulated Wastewater

    Directory of Open Access Journals (Sweden)

    Yan Shi

    2017-09-01

    Full Text Available Chitosan was used to modify a 13X molecular sieve to improve its cadmium removal capability. After being modified with 2% chitosan-acetate for 2 h at 30 °C, significant uptake of Cd2+ could be achieved. The uptake of Cd2+ on the modified 13X molecular sieve followed the Langmuir isotherms with a capacity of 1 mg/g. The kinetics of Cd2+ removal by modified 13X molecular sieve followed a pseudo second-order reaction, suggesting chemisorption or surface complexation. The Cd2+ removal with a sorbent dose of 2 g/L from an initial concentration of 100 μg/L reached more than 95% in 90 min. The equilibrium Cd2+ concentration was <5 μg/L, which meets the requirements of “Standards for Irrigation Water Quality” (GB5084-2005 (10 μg/L and MCL and MCLG for groundwater and drinking water (5 μg/L set by United States Environmental Protection Agency.

  3. Macroscopic nanoporous graphene membranes for molecular-sieving-based gas separation

    Science.gov (United States)

    Boutilier, Michael; Karnik, Rohit; Hadjiconstantinou, Nicolas

    2016-11-01

    Nanoporous graphene membranes have the potential to exceed permeance and selectivity limits of existing gas separation membranes. This is made possible by the atomic thickness of the material, which can support sub-nanometer pores that enable molecular sieving while presenting low resistance to permeate flow. The feasibility of gas separation by graphene nanopores has been demonstrated experimentally on micron-scale areas of graphene. However, scaling up to macroscopic membrane areas presents significant challenges, including graphene imperfections and control of the selective nanopore size distribution across large areas. Towards this goal, gas permeance experiments are conducted on single and few layer graphene membranes to understand leakage pathways and a model is developed to predict conditions under which molecular sieving can occur in macroscopic membranes. Approaches to seal or mitigate the effects of micron and nanometer scale defects in graphene are investigated and methods of creating a high density of selectively permeable nanopores are explored. Experimental results demonstrating separation ratios exceeding the Knudsen effusion limit, indicating molecular sieving in agreement with the model predictions, are presented and discussed.

  4. Synthesis and characterization of a new microporous cesium silicotitanate (SNL-B) molecular sieve

    Energy Technology Data Exchange (ETDEWEB)

    NYMAN,MAY D.; GU,B.X.; WANG,L.M.; EWING,R.C.; NENOFF,TINA M.

    2000-03-20

    Ongoing hydrothermal Cs-Ti-Si-O-H{sub 2}O phase investigations has produced several new ternary phases including a novel microporous Cs-silicotitanate molecular sieve, SNL-B with the approximate formula of Cs{sub 3}TiSi{sub 3}O{sub 9.5}{center_dot}3H{sub 2}O. SNL-B is only the second molecular sieve Cs-silicotitanate phase reported to have been synthesized by hydrothermal methods. Crystallites are very small (0.1 x 2 microns) with a blade-like morphology. SNL-B is confirmed to be a 3-dimensional molecular sieve by a variety of characterization techniques (N{sub 2} adsorption, ion exchange, water adsorption/desorption, solid state CP-MAS NMR). SNL-B is able to desorb and adsorb water from its pores while retaining its crystal structure and exchanges Cs cations readily. Additional techniques were used to describe fundamental properties (powder X-ray diffraction, FTIR, {sup 29}Si and {sup 133}/Cs MAS NMR, DTA, SEM/EDS, ion selectivity, and radiation stability). The phase relationships of metastable SNL-B to other hydrothermally synthesized Cs-Ti-Si-O-H{sub 2}O phases are discussed, particularly its relationship to a Cs-silicotitanate analogue of pharmacosiderite, and a novel condensed phase, a polymorph of Cs{sub 2}TiSi{sub 6}O{sub 15}(SNL-A).

  5. A Pervaporation Study of Ammonia Solutions Using Molecular Sieve Silica Membranes

    Directory of Open Access Journals (Sweden)

    Xing Yang

    2014-02-01

    Full Text Available An innovative concept is proposed to recover ammonia from industrial wastewater using a molecular sieve silica membrane in pervaporation (PV, benchmarked against vacuum membrane distillation (VMD. Cobalt and iron doped molecular sieve silica-based ceramic membranes were evaluated based on the ammonia concentration factor downstream and long-term performance. A modified low-temperature membrane evaluation system was utilized, featuring the ability to capture and measure ammonia in the permeate. It was found that the silica membrane with confirmed molecular sieving features had higher water selectivity over ammonia. This was due to a size selectivity mechanism that favoured water, but blocked ammonia. However, a cobalt doped silica membrane previously treated with high temperature water solutions demonstrated extraordinary preference towards ammonia by achieving up to a 50,000 mg/L ammonia concentration (a reusable concentration level measured in the permeate when fed with 800 mg/L of ammonia solution. This exceeded the concentration factor expected by the benchmark VMD process by four-fold, suspected to be due to the competitive adsorption of ammonia over water into the silica structure with pores now large enough to accommodate ammonia. However, this membrane showed a gradual decline in selectivity, suspected to be due to the degradation of the silica material/pore structure after several hours of operation.

  6. The synthesis of 2-iminochromenes using mesoporous molecular sieve MCM-41 as a heterogeneous and recyclable catalyst

    Directory of Open Access Journals (Sweden)

    Majid M. Heravi

    2010-08-01

    Full Text Available A highly efficient procedure for the synthesis of 2-iminochromenes via condensation of o-hydroxybenzaldehydes and malononitrile using a catalytic amount of mesoporous molecular sieve MCM-41 in good yields is achieved.

  7. Fate of 2-Chloro Ethyl Ethyl Sulfide on 13X Molecular Sieve Adsorbent Implications for Regenerative Filtration

    Science.gov (United States)

    2003-11-17

    Fate of 2-Chloro Ethyl Ethyl Sulfide on 13X Molecular Sieve Adsorbent Implications for Regenerative Filtration 2003 Joint Scientific Conference on...2003 2. REPORT TYPE N/A 3. DATES COVERED - 4. TITLE AND SUBTITLE Fate of 2-Chloro Ethyl Ethyl Sulfide on 13X Molecular Sieve Adsorbent...protection than the currently fielded single pass filtration technology. • Many past and current regenerative filtration prototypes utilize zeolite

  8. Molecular sieving characteristics of the cultured endothelial monolayer.

    Science.gov (United States)

    Siflinger-Birnboim, A; Del Vecchio, P J; Cooper, J A; Blumenstock, F A; Shepard, J M; Malik, A B

    1987-07-01

    We examined the selectivity of the bovine pulmonary artery endothelial monolayer in vitro to molecules of different sizes. The cultured bovine pulmonary endothelial monolayer was grown on a gelatinized filter and the transendothelial transport was studied by determining the permeability of molecules ranging from 182 to 340,000 daltons under diffusion conditions. The permeabilities across the cultured bovine endothelium were modeled according to cylindrical pore theory. The data were best fit by a two-pore model with radii 65 A and 304 A and a ratio of small to large pores of 160:1. The results indicate that the cultured endothelial monolayer is a selective barrier to molecules of different sizes and that the molecular selectivity is consistent with a diffusional pathway through endothelial pore equivalents. The cultured endothelial monolayer is a useful system for studying the permeability characteristics of the endothelial barrier.

  9. Synthetic Zeolites and Other Microporous Oxide Molecular Sieves

    Science.gov (United States)

    Sherman, John D.

    1999-03-01

    Use of synthetic zeolites and other microporous oxides since 1950 has improved insulated windows, automobile air-conditioning, refrigerators, air brakes on trucks, laundry detergents, etc. Their large internal pore volumes, molecular-size pores, regularity of crystal structures, and the diverse framework chemical compositions allow "tailoring" of structure and properties. Thus, highly active and selective catalysts as well as adsorbents and ion exchangers with high capacities and selectivities were developed. In the petroleum refining and petrochemical industries, zeolites have made possible cheaper and lead-free gasoline, higher performance and lower-cost synthetic fibers and plastics, and many improvements in process efficiency and quality and in performance. Zeolites also help protect the environment by improving energy efficiency, reducing automobile exhaust and other emissions, cleaning up hazardous wastes (including the Three Mile Island nuclear power plant and other radioactive wastes), and, as specially tailored desiccants, facilitating the substitution of new refrigerants for the ozone-depleting chlorofluorocarbons banned by the Montreal Protocol.

  10. Ultrathin graphene-based membrane with precise molecular sieving and ultrafast solvent permeation

    Science.gov (United States)

    Yang, Q.; Su, Y.; Chi, C.; Cherian, C. T.; Huang, K.; Kravets, V. G.; Wang, F. C.; Zhang, J. C.; Pratt, A.; Grigorenko, A. N.; Guinea, F.; Geim, A. K.; Nair, R. R.

    2017-12-01

    Graphene oxide (GO) membranes continue to attract intense interest due to their unique molecular sieving properties combined with fast permeation. However, their use is limited to aqueous solutions because GO membranes appear impermeable to organic solvents, a phenomenon not yet fully understood. Here, we report efficient and fast filtration of organic solutions through GO laminates containing smooth two-dimensional (2D) capillaries made from large (10-20 μm) flakes. Without modification of sieving characteristics, these membranes can be made exceptionally thin, down to ~10 nm, which translates into fast water and organic solvent permeation. We attribute organic solvent permeation and sieving properties to randomly distributed pinholes interconnected by short graphene channels with a width of 1 nm. With increasing membrane thickness, organic solvent permeation rates decay exponentially but water continues to permeate quickly, in agreement with previous reports. The potential of ultrathin GO laminates for organic solvent nanofiltration is demonstrated by showing >99.9% rejection of small molecular weight organic dyes dissolved in methanol. Our work significantly expands possibilities for the use of GO membranes in purification and filtration technologies.

  11. Hoveyda–Grubbs type metathesis catalyst immobilized on mesoporous molecular sieves MCM-41 and SBA-15

    Directory of Open Access Journals (Sweden)

    Zdeněk Bastl

    2011-01-01

    Full Text Available A commercially available Hoveyda–Grubbs type catalyst (RC303 Zhannan Pharma was immobilized on mesoporous molecular sieves MCM-41 and on SBA-15 by direct interaction with the sieve wall surface. The immobilized catalysts exhibited high activity and nearly 100% selectivity in several types of alkene metathesis reactions. Ru leaching was found to depend on the substrate and solvent used (the lowest leaching was found for ring-closing metathesis of 1,7-octadiene in cyclohexane – 0.04% of catalyst Ru content. Results of XPS, UV–vis and NMR spectroscopy showed that at least 76% of the Ru content was bound to the support surface non-covalently and could be removed from the catalyst by washing with THF.

  12. Integrated Testing of a 4-Bed Molecular Sieve, Air-Cooled Temperature Swing Adsorption Compressor, and Sabatier Engineering Development Unit

    Science.gov (United States)

    Knox, James C.; Miller, Lee; Campbell, Melissa; Mulloth, Lila; Varghese, Mini

    2006-01-01

    Accumulation and subsequent compression of carbon dioxide that is removed from the space cabin are two important processes involved in a closed-loop air revitalization scheme of the International Space Station (ISS). The 4-Bed Molecular Sieve (4BMS) of ISS currently operates in an open loop mode without a compressor. The Sabatier Engineering Development Unit (EDU) processes waste CO2 to provide water to the crew. This paper reports the integrated 4BMS, air-cooled Temperature Swing Adsorption Compressor (TSAC), and Sabatier EDU testing. The TSAC prototype was developed at NASA Ames Research Center (ARC). The 4BMS was modified to a functionally flight-like condition at NASA Marshall Space Flight Center (MSFC). Testing was conducted at MSFC. The paper provides details of the TSAC operation at various CO2 loadings and corresponding performance of the 4BMS and Sabatier.

  13. Nanoscale tailor-made membranes for precise and rapid molecular sieve separation.

    Science.gov (United States)

    Wang, Jing; Zhu, Junyong; Zhang, Yatao; Liu, Jindun; Van der Bruggen, Bart

    2017-03-02

    The precise and rapid separation of different molecules from aqueous, organic solutions and gas mixtures is critical to many technologies in the context of resource-saving and sustainable development. The strength of membrane-based technologies is well recognized and they are extensively applied as cost-effective, highly efficient separation techniques. Currently, empirical-based approaches, lacking an accurate nanoscale control, are used to prepare the most advanced membranes. In contrast, nanoscale control renders the membrane molecular specificity (sub-2 nm) necessary for efficient and rapid molecular separation. Therefore, as a growing trend in membrane technology, the field of nanoscale tailor-made membranes is highlighted in this review. An in-depth analysis of the latest advances in tailor-made membranes for precise and rapid molecule sieving is given, along with an outlook to future perspectives of such membranes. Special attention is paid to the established processing strategies, as well as the application of molecular dynamics (MD) simulation in nanoporous membrane design. This review will provide useful guidelines for future research in the development of nanoscale tailor-made membranes with a precise and rapid molecular sieve separation property.

  14. An Ideal Molecular Sieve for Acetylene Removal from Ethylene with Record Selectivity and Productivity.

    Science.gov (United States)

    Li, Bin; Cui, Xili; O'Nolan, Daniel; Wen, Hui-Min; Jiang, Mengdie; Krishna, Rajamani; Wu, Hui; Lin, Rui-Biao; Chen, Yu-Sheng; Yuan, Daqiang; Xing, Huabin; Zhou, Wei; Ren, Qilong; Qian, Guodong; Zaworotko, Michael J; Chen, Banglin

    2017-12-01

    Realization of ideal molecular sieves, in which the larger gas molecules are completely blocked without sacrificing high adsorption capacities of the preferred smaller gas molecules, can significantly reduce energy costs for gas separation and purification and thus facilitate a possible technological transformation from the traditional energy-intensive cryogenic distillation to the energy-efficient, adsorbent-based separation and purification in the future. Although extensive research endeavors are pursued to target ideal molecular sieves among diverse porous materials, over the past several decades, ideal molecular sieves for the separation and purification of light hydrocarbons are rarely realized. Herein, an ideal porous material, SIFSIX-14-Cu-i (also termed as UTSA-200), is reported with ultrafine tuning of pore size (3.4 Å) to effectively block ethylene (C2 H4 ) molecules but to take up a record-high amount of acetylene (C2 H2 , 58 cm3 cm-3 under 0.01 bar and 298 K). The material therefore sets up new benchmarks for both the adsorption capacity and selectivity, and thus provides a record purification capacity for the removal of trace C2 H2 from C2 H4 with 1.18 mmol g-1 C2 H2 uptake capacity from a 1/99 C2 H2 /C2 H4 mixture to produce 99.9999% pure C2 H4 (much higher than the acceptable purity of 99.996% for polymer-grade C2 H4 ), as demonstrated by experimental breakthrough curves. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Effective removal of hydrogen sulfide using 4A molecular sieve zeolite synthesized from attapulgite

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinpeng; Wang, Rui, E-mail: ree_wong@hotmail.com

    2017-03-15

    Graphical abstract: 4A molecular sieve zeolite was synthesized from attapulgite and used for H{sub 2}S removal. The H{sub 2}S removal rate is nearly 100%. - Highlights: • 4A zeolite synthesized from attapulgite shows high H{sub 2}S removal performance. • The synthesis conditions of 4A zeolite are optimized on the basis of H{sub 2}S removal. • The H{sub 2}S removal rate is nearly 100%. • The impurities existed in sorbent have a great impact on H{sub 2}S removal performance. - Abstract: In this work, 4A molecular sieve zeolite was synthesized from attapulgite (ATP) in different conditions and was applied initially for H{sub 2}S removal. The sorbent was characterized by scanning electron microscopy, X-ray diffraction, Fourier transform infrared spectra and N{sub 2} adsorption/desorption. The effects of the synthesis condition and adsorption temperature were studied by dynamic adsorption experiment. The optimal adsorption temperature is 50 °C. The H{sub 2}S adsorption results have showed that the optimal synthesis conditions are as follows: the ratio of silicon to aluminum and ratio of sodium to silicon are both 1.5, the ratio of water to sodium is 30, crystallization temperature and crystallization time is 90 °C, 4 h, respectively. The breakthrough and saturation sulfur sorption capacities of zeolite synthesized under optimum conditions are up to nearly 10 and 15 mg/g-sorbent, respectively, and the H{sub 2}S removal rate is nearly 100%. The adsorption kinetics nonlinear fitting results show that the adsorption system follows Bingham model. These results indicate that 4A molecular sieve zeolite synthesized from attapulgite can be used for H{sub 2}S removal promisingly.

  16. Electronic and magnetic structure of LaSr-2×4 manganese oxide molecular sieve nanowires.

    Science.gov (United States)

    Gazquez, Jaume; Carretero-Genevrier, Adrián; Gich, Martí; Mestres, Narcís; Varela, María

    2014-06-01

    In this study we combine scanning transmission electron microscopy, electron energy loss spectroscopy and electron magnetic circular dichroism to get new insights into the electronic and magnetic structure of LaSr-2×4 manganese oxide molecular sieve nanowires integrated on a silicon substrate. These nanowires exhibit ferromagnetism with strongly enhanced Curie temperature (T c >500 K), and we show that the new crystallographic structure of these LaSr-2×4 nanowires involves spin orbital coupling and a mixed-valence Mn3+/Mn4+, which is a must for ferromagnetic ordering to appear, in line with the standard double exchange explanation.

  17. Molecular sieving polymer for DNA/RNA separation in capillary electrophoresis

    Science.gov (United States)

    Liu, Chenchen; Yamaguchi, Yoshinori; Dou, Xiaoming

    2017-07-01

    In capillary polymer electrophoresis, the property of polymer sieving matrix dominates the migration behavior of DNA/RNA. We investigated the capillary electrophoresis of RNA ranging from 100 nt to 10,000 nt in polyacrylamide (PA) solutions with different molecular weights (Mw) and different concentrations. We observed that the resolution length (RSL) of RNA fragments was improved and the migration time was prolonged, when polymer concentration was increased. The resolution for small RNA fragments (3000 nt) became inseparable. In addition, we estimated the smallest resolvable nucleotide length (Ls) by the plot of RSL against RNA size.

  18. Catalytic Reforming of Lignin-Derived Bio-Oil Over a Nanoporous Molecular Sieve Silicoaluminophosphate-11.

    Science.gov (United States)

    Park, Y K; Kang, Hyeon Koo; Jang, Hansaem; Suh, Dong Jin; Park, Sung Hoon

    2016-05-01

    Catalytic pyrolysis of lignin, a major constituent of biomass, was performed. A nanoporous molecular sieve silicoaluminophosphate-11 (SAPO-11) was selected as catalyst. Thermogravimetric analysis showed that 500 degrees C was the optimal pyrolysis temperature. Pyrolyzer-gas chromatography/mass spectroscopy was used to investigate the pyrolysis product distribution. Production of phenolics, the dominant product from the pyrolysis of lignin, was promoted by the increase in the catalyst dose. In particular, low-molecular-mass phenolics were produced more over SAPO-11, while high-molecular-mass phenolics and double-bond-containing phenolics were produced less. The fraction of aromatic compounds, including benzene, toluene, xylene, and ethylbenzene, was also increased by catalytic reforming. The catalytic effects were more pronounced when the catalyst/biomass ratio was increased. The enhanced production of aromatic compounds by an acidic catalyst obtained in this study is in good agreement with the results of previous studies.

  19. Chemical adsorption of oxytetracycline from aqueous solution by modified molecular sieves.

    Science.gov (United States)

    Lv, Junmin; Ma, Yulong; Chang, Xuan; Fang, Junzhuo; Cai, Lingyan; Ma, Yan; Fan, Subing

    2017-03-01

    The removal of oxytetracycline (OTC) from aqueous solution on modified molecular sieve via adsorption was investigated in the present work. The copper(II) modified molecular sieve had the much higher adsorbed amount than unmodified one. The bigger pore, the more adsorption sites benefitted for the adsorbed amount of OTC. The exchanged amount of copper(II) and the acid-base property of solution were important factors influencing the removal efficiency. The adsorption kinetics, the adsorption isotherm, the adsorption thermodynamics and the proposed adsorption mechanism were studied. The analysis of adsorption isotherm indicated it is a monolayer adsorption. The fitting with adsorption kinetics, pseudo-second-order model, deduced chemical adsorption is the main rate controlling step. And the new formation of Cu-O chemical bond and the changes at bands of N-H vibration and C-N vibration by Fourier transform infrared spectrometer further confirmed the proposal adsorption mechanism was the chemical complexation of copper(II) in modified 13X with NH2 group of OTC. As the real exchanged amount of copper(II) was 149.07 mg·g-1 and the solution pH 7.0, the adsorption capacity of modified 13X for OTC reached the maximum of 2,396 mg·g-1 (with the initial concentration of 1,000 mg·L-1).

  20. Structural and thermotropic peculiarities of hydrogen-bonded liquid crystals confined in mesoporous molecular sieves

    Science.gov (United States)

    Gnatyuk, I.; Gavrilko, T.; Yaroshchuk, O.; Holovina, N.; Shcherban, N.; Baran, J.; Drozd, M.

    2016-12-01

    The phase behaviour and structural organization of hydrogen-bonded liquid crystals were investigated under confinement to mesoporous molecular sieves. As such liquid crystalline compounds, 4-hexylbenzoic and 4-butylcyclohexanecarboxylic acids with different head group structure and alkyl chain length where selected and filled in the AlMCM-41 sieves. With FTIR spectroscopy it was found that some part of incorporated acid molecules, presumably located in the inner space of the AlMCM-41 pores, is in undissociated form of open dimers or chain associates and thus shows spectroscopic features characteristic to the bulk-like species. The other FTIR spectra components indicate strong interaction of the incorporated monomeric molecules with the pore surface. Two specific mechanisms are shown to be involved in molecular interactions at the interface: (1) deprotonation of monomeric acid molecules on the pore surface with formation of COO- carboxylate ions and (2) bonding of these ions to the pore surface by a coordinated bond R-COO-…Al+ with Lewis acid sites. Differential scanning calorimetry revealed that these near-surface processes lead to complete suppression of mesomorphic properties of the studied acids under confinement to nanopores.

  1. Effective removal of hydrogen sulfide using 4A molecular sieve zeolite synthesized from attapulgite.

    Science.gov (United States)

    Liu, Xinpeng; Wang, Rui

    2017-03-15

    In this work, 4A molecular sieve zeolite was synthesized from attapulgite (ATP) in different conditions and was applied initially for H2S removal. The sorbent was characterized by scanning electron microscopy, X-ray diffraction, Fourier transform infrared spectra and N2 adsorption/desorption. The effects of the synthesis condition and adsorption temperature were studied by dynamic adsorption experiment. The optimal adsorption temperature is 50°C. The H2S adsorption results have showed that the optimal synthesis conditions are as follows: the ratio of silicon to aluminum and ratio of sodium to silicon are both 1.5, the ratio of water to sodium is 30, crystallization temperature and crystallization time is 90°C, 4h, respectively. The breakthrough and saturation sulfur sorption capacities of zeolite synthesized under optimum conditions are up to nearly 10 and 15mg/g-sorbent, respectively, and the H2S removal rate is nearly 100%. The adsorption kinetics nonlinear fitting results show that the adsorption system follows Bingham model. These results indicate that 4A molecular sieve zeolite synthesized from attapulgite can be used for H2S removal promisingly. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Hydroxylation of phenol over MeAPO molecular sieves synthesized by vapor phase transport

    Science.gov (United States)

    Shao, Hui; Chen, Jingjing; Chen, Xia; Leng, Yixin; Zhong, Jing

    2016-07-01

    In this study, MeAPO-25 (Me = Fe, Cu, Mn) molecular sieves were first synthesized by a vapor phase transport method using tetramethyl guanidine as the template and applied to hydroxylation of phenol. The zeolites were characterized by XRD, SEM, FT-IR, and DR UV-Vis. As a result, MeAPO-21 and MeAPO-15 were synthesized by changing the Me/Al ratio. UV-Visible diffuse reflectance study suggested incorporation of heteroatoms into the framework and FT-IR study also supported these data. Effects of heteroatoms, contents of Me in MeAPO-25, reaction temperature, phenol/H2O2 mole ratios, reaction time and concentration of catalyst on the conversion of phenol, as well as on the selectivity were studied. FeAPO-25 exhibited a high catalytic activity at the mole ratio of FeO and Al2O3 equal to 0.1 in the synthesis gel, giving the phenol conversion of 88.75% and diphenols selectivity of 66.23% at 60°C within 3 h [ n(phenol)/ n(H2O2) = 0.75, m(FeAPO-25)/ m(phenol) = 7.5%]. Experimental results indicated that the FeAPO-25 molecular sieve was a fairly promising candidate for the application in hydroxylation of phenol.

  3. Time-dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve.

    Science.gov (United States)

    Espinal, Laura; Wong-Ng, Winnie; Kaduk, James A; Allen, Andrew J; Snyder, Chad R; Chiu, Chun; Siderius, Daniel W; Li, Lan; Cockayne, Eric; Espinal, Anais E; Suib, Steven L

    2012-05-09

    The development of sorbents for next-generation CO(2) mitigation technologies will require better understanding of CO(2)/sorbent interactions. Among the sorbents under consideration are shape-selective microporous molecular sieves with hierarchical pore morphologies of reduced dimensionality. We have characterized the non-equilibrium CO(2) sorption of OMS-2, a well-known one-dimensional microporous octahedral molecular sieve with manganese oxide framework. Remarkably, we find that the degree of CO(2) sorption hysteresis increases when the gas/sorbent system is allowed to equilibrate for longer times at each pressure step. Density functional theory calculations indicate a "gate-keeping" role of the cation in the tunnel, only allowing CO(2) molecules to enter fully into the tunnel via a highly unstable transient state when CO(2) loadings exceed 0.75 mmol/g. The energy barrier associated with the gate-keeping effect suggests an adsorption mechanism in which kinetic trapping of CO(2) is responsible for the observed hysteretic behavior.

  4. Bio-inspired polydopamine: a versatile and powerful platform for covalent synthesis of molecular sieve membranes.

    Science.gov (United States)

    Liu, Qian; Wang, Nanyi; Caro, Jürgen; Huang, Aisheng

    2013-11-27

    Inspired by the bioadhesive ability of the marine mussel, a simple, versatile, and powerful synthesis strategy was developed to prepare highly reproducible and permselective molecular sieve membranes by using polydopamine as a novel covalent linker. Attributing to the formation of strong covalent and noncovalent bonds, ZIF-8 nutrients are attracted and bound to the support surface, thus promoting the ZIF-8 nucleation and the growth of uniform, well intergrown, and phase-pure ZIF-8 molecular sieve membranes. The developed ZIF-8 membranes show high hydrogen selectivity and thermal stability. At 150 °C and 1 bar, the mixture separation factors of H2/CO2, H2/N2, H2/CH4, and H2/C3H8 are 8.9, 16.2, 31.5 and 712.6, with H2 permeances higher than 1.8 × 10(-7) mol·m(-2)·s(-1)·Pa(-1), which is promising for hydrogen separation and purification.

  5. In Situ Electrochemical Synthesis of Oriented and Defect-Free AEL Molecular-Sieve Films Using Ionic Liquids.

    Science.gov (United States)

    Yu, Tongwen; Chu, Wenling; Cai, Rui; Liu, Yanchun; Yang, Weishen

    2015-10-26

    Simply preparing oriented and defect-free molecular-sieve films have been a long-standing challenge both in academia and industry. Most of the early works focus on the careful and multiple controls of the seeds layer or synthesis conditions. Herein, we report a one-step in situ electrochemical ionothermal method that combines a controllable electric field with ionic liquids. We demonstrate that an in-plane oriented and defect-free AEL (one molecular-sieve framework type) molecular-sieve film was obtained using an Al electrode as the Al source. The excellent corrosion-resistant performance of the film makes this technology promising in multiple applications, such as anti-corrosion coatings. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Porous carbon nanotubes: Molecular absorption, transport, and separation

    Science.gov (United States)

    Yzeiri, Irena; Patra, Niladri; Král, Petr

    2014-03-01

    We use classical molecular dynamics simulations to study nanofluidic properties of porous carbon nanotubes. We show that saturated water vapor condenses on the porous nanotubes, can be absorbed by them and transported in their interior. When these nanotubes are charged and placed in ionic solutions, they can selectively absorb ions in their interior and transport them. Porous carbon nanotubes can also be used as selective molecular sieves, as illustrated on a room temperature separation of benzene and ethanol.

  7. A portable molecular-sieve-based CO{sub 2} sampling system for radiocarbon measurements

    Energy Technology Data Exchange (ETDEWEB)

    Palonen, V., E-mail: vesa.palonen@helsinki.fi [Department of Physics, University of Helsinki, P.O. Box 43, Helsinki FI-00014 (Finland)

    2015-12-15

    We have developed a field-capable sampling system for the collection of CO{sub 2} samples for radiocarbon-concentration measurements. Most target systems in environmental research are limited in volume and CO{sub 2} concentration, making conventional flask sampling hard or impossible for radiocarbon studies. The present system captures the CO{sub 2} selectively to cartridges containing 13X molecular sieve material. The sampling does not introduce significant under-pressures or significant losses of moisture to the target system, making it suitable for most environmental targets. The system also incorporates a significantly larger sieve container for the removal of CO{sub 2} from chambers prior to the CO{sub 2} build-up phase and sampling. In addition, both the CO{sub 2} and H{sub 2}O content of the sample gas are measured continuously. This enables in situ estimation of the amount of collected CO{sub 2} and the determination of CO{sub 2} flux to a chamber. The portable sampling system is described in detail and tests for the reliability of the method are presented.

  8. A portable molecular-sieve-based CO2 sampling system for radiocarbon measurements

    Science.gov (United States)

    Palonen, V.

    2015-12-01

    We have developed a field-capable sampling system for the collection of CO2 samples for radiocarbon-concentration measurements. Most target systems in environmental research are limited in volume and CO2 concentration, making conventional flask sampling hard or impossible for radiocarbon studies. The present system captures the CO2 selectively to cartridges containing 13X molecular sieve material. The sampling does not introduce significant under-pressures or significant losses of moisture to the target system, making it suitable for most environmental targets. The system also incorporates a significantly larger sieve container for the removal of CO2 from chambers prior to the CO2 build-up phase and sampling. In addition, both the CO2 and H2O content of the sample gas are measured continuously. This enables in situ estimation of the amount of collected CO2 and the determination of CO2 flux to a chamber. The portable sampling system is described in detail and tests for the reliability of the method are presented.

  9. Impact of the carbon pore size and topology on the equilibrium quantum sieving of hydrogen isotopes at zero coverage and finite pressures

    Energy Technology Data Exchange (ETDEWEB)

    Kowalczyk, Piotr [Applied Physics, RMIT University, GPO Box 2476V, Victoria 3001 (Australia); Gauden, Piotr A; Terzyk, Artur P; Furmaniak, Sylwester [Department of Chemistry, Physicochemistry of Carbon Materials Research Group, Nicholas Copernicus University, Gagarin Street 7, 87-100 Torun (Poland)], E-mail: E72231@ems.rmit.edu.au, E-mail: aterzyk@chem.uni.torun.pl

    2009-04-08

    Carbonaceous slit-shaped and square-shaped pores efficiently differentiate adsorbed hydrogen isotopes at 77 and 33 K. Extensive path integral Monte Carlo simulations revealed that the square-shaped carbon pores enhanced the selectivity of deuterium over hydrogen in comparison to equivalent slit-shaped carbon pores at zero coverage as well as at finite pressures (i.e. quantum sieving of hydrogen isotopes is pore-topology-dependent). We show that this enhancement of the D{sub 2}/H{sub 2} equilibrium selectivity results from larger localization of hydrogen isotopes in square-shaped pores. The operating pressures for efficient quantum sieving of hydrogen isotopes are strongly dependent on the topology as well as on the size of the carbon pores. However, for both considered carbon pore topologies the highest D{sub 2}/H{sub 2} separation factor is observed at zero-coverage limit. Depending on carbon pore size and topology we predicted monotonic decreasing and non-monotonic shape of the D{sub 2}/H{sub 2} equilibrium selectivity at finite pressures. For both kinds of carbonaceous pores of molecular sizes we predict high compression of hydrogen isotopes at 77 and 33 K (for example, the pore density of compressed hydrogen isotopes at 77 K and 0.25 MPa in a square-shaped carbon pore of size 2.6 A exceeds 60 mmol cm{sup -3}; for comparison, the liquid density of para-H{sub 2} at 30 K and 30 MPa is 42 mmol cm{sup -3}). Finally, by direct comparison of simulation results with experimental data it is explained why 'ordinary' carbonaceous materials are not efficient quantum sieves.

  10. Impact of the carbon pore size and topology on the equilibrium quantum sieving of hydrogen isotopes at zero coverage and finite pressures.

    Science.gov (United States)

    Kowalczyk, Piotr; Gauden, Piotr A; Terzyk, Artur P; Furmaniak, Sylwester

    2009-04-08

    Carbonaceous slit-shaped and square-shaped pores efficiently differentiate adsorbed hydrogen isotopes at 77 and 33 K. Extensive path integral Monte Carlo simulations revealed that the square-shaped carbon pores enhanced the selectivity of deuterium over hydrogen in comparison to equivalent slit-shaped carbon pores at zero coverage as well as at finite pressures (i.e. quantum sieving of hydrogen isotopes is pore-topology-dependent). We show that this enhancement of the D(2)/H(2) equilibrium selectivity results from larger localization of hydrogen isotopes in square-shaped pores. The operating pressures for efficient quantum sieving of hydrogen isotopes are strongly dependent on the topology as well as on the size of the carbon pores. However, for both considered carbon pore topologies the highest D(2)/H(2) separation factor is observed at zero-coverage limit. Depending on carbon pore size and topology we predicted monotonic decreasing and non-monotonic shape of the D(2)/H(2) equilibrium selectivity at finite pressures. For both kinds of carbonaceous pores of molecular sizes we predict high compression of hydrogen isotopes at 77 and 33 K (for example, the pore density of compressed hydrogen isotopes at 77 K and 0.25 MPa in a square-shaped carbon pore of size 2.6 Å exceeds 60 mmol cm(-3); for comparison, the liquid density of para-H(2) at 30 K and 30 MPa is 42 mmol cm(-3)). Finally, by direct comparison of simulation results with experimental data it is explained why 'ordinary' carbonaceous materials are not efficient quantum sieves.

  11. Photocatalytic Properties of Nb/MCM-41 Molecular Sieves: Effect of the Synthesis Conditions

    Directory of Open Access Journals (Sweden)

    Caterine Daza Gomez

    2015-08-01

    Full Text Available The effect of synthesis conditions and niobium incorporation levels on the photocatalytic properties of Nb/MCM-41 molecular sieves was assessed. Niobium pentoxide supported on MCM-41 mesoporous silica was obtained using two methods: sol-gel and incipient impregnation, in each case also varying the percentage of niobium incorporation. The synthesized Nb-MCM-41 ceramic powders were characterized using the spectroscopic techniques of infrared spectroscopy (IR, Raman spectroscopy, X-ray diffraction (XRD, and transmission electron microscopy (TEM. The photodegradation capacity of the powders was studied using the organic molecule, methylene blue. The effect of both the method of synthesis and the percentage of niobium present in the sample on the photodegradation action of the solids was determined. The mesoporous Nb-MCM-41 that produced the greatest photodegradation response was obtained using the sol-gel method and 20% niobium incorporation.

  12. Direct monolithic integration of vertical single crystalline octahedral molecular sieve nanowires on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Carretero-Genevrier, Adrian [Institut des Nanotechnologies de Lyon (INL), UMR-CNRS 5270, Ecole Central de Lyon, Ecully (France); Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Oro-Sole, Judith [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Gazquez, Jaume [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Magen, Cesar [Univ. de Zaragoza, Zaragoza (Spain); Miranda, Laura [Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Puig, Teresa [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Obradors, Xavier [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Ferain, Etienne [Univ. Catholique de Louvain, Louvain-la-Neuve (Belgium); Sanchez, Clement [Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Rodriguez-Carvajal, Juan [Institut Laue-Langevin, Grenoble Cedex (France); Mestres, Narcis [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain)

    2013-12-13

    We developed an original strategy to produce vertical epitaxial single crystalline manganese oxide octahedral molecular sieve (OMS) nanowires with tunable pore sizes and compositions on silicon substrates by using a chemical solution deposition approach. The nanowire growth mechanism involves the use of track-etched nanoporous polymer templates combined with the controlled growth of quartz thin films at the silicon surface, which allowed OMS nanowires to stabilize and crystallize. α-quartz thin films were obtained after thermal activated crystallization of the native amorphous silica surface layer assisted by Sr2+- or Ba2+-mediated heterogeneous catalysis in the air at 800 °C. These α-quartz thin films work as a selective template for the epitaxial growth of randomly oriented vertical OMS nanowires. Furthermore, the combination of soft chemistry and epitaxial growth opens new opportunities for the effective integration of novel technological functional tunneled complex oxides nanomaterials on Si substrates.

  13. Mesoporous Molecular Sieves Based Catalysts for Olefin Metathesis and Metathesis Polymerization

    Science.gov (United States)

    Balcar, Hynek; Čejka, Jiří

    Heterogeneous catalysts for olefin metathesis using different types of (i) siliceous mesoporous molecular sieves, and (ii) organized mesoporous alumina as supports are reported. The catalysts were prepared either by spreading of transition metal oxidic phase on the support surface or by immobilizing transition metal compounds (mostly organometallic) on the support. The activity of these catalysts in various types of metathesis reactions (i.e. alkene and diene metathesis, metathesis of unsaturated esters and ethers, RCM, ROMP and metathesis polymerization of alkynes) was described. The main advantages of these catalysts consist generally in their high activity and selectivity, easy separation of catalysts from reaction products and the preparation of products free of catalyst residue. The examples of pore size influence on the selectivity in metathesis reactions are also given.

  14. Manganese oxide octahedral molecular sieves as insertion electrodes for rechargeable Mg batteries

    KAUST Repository

    Rasul, Shahid

    2013-11-01

    Magnesium has been inserted electrochemically into manganese oxide octahedral molecular sieves (OMS-5 MnO2) at room temperature. Discharge/charge profiles show that a large amount of Mg, i.e., 0.37 Mg/Mn can be inserted electrochemically using 1 M Mg(ClO4)2/AN electrolyte when OMS-5 is prepared in presence of acetylene black. X-ray diffraction analysis and discharge/charge profiles verify that a solid state solution reaction takes place upon Mg insertion into the host lattice with concurrent reduction of Mn4+ to Mn2+. However, upon each reduction of Mn by Mg insertion and resultant dissolution into electrolyte, decrease in the active compound occurs consequently. A low intrinsic electronic conductivity of OMS-5 was suggested to play a vital role in Mg insertion into the host. © 2013 Elsevier Ltd.

  15. Chemically inducible diffusion trap at cilia reveals molecular sieve-like barrier.

    Science.gov (United States)

    Lin, Yu-Chun; Niewiadomski, Pawel; Lin, Benjamin; Nakamura, Hideki; Phua, Siew Cheng; Jiao, John; Levchenko, Andre; Inoue, Takafumi; Rohatgi, Rajat; Inoue, Takanari

    2013-07-01

    Primary cilia function as specialized compartments for signal transduction. The stereotyped structure and signaling function of cilia inextricably depend on the selective segregation of molecules in cilia. However, the fundamental principles governing the access of soluble proteins to primary cilia remain unresolved. We developed a methodology termed 'chemically inducible diffusion trap at cilia' to visualize the diffusion process of a series of fluorescent proteins ranging in size from 3.2 nm to 7.9 nm into primary cilia. We found that the interior of the cilium was accessible to proteins as large as 7.9 nm. The kinetics of ciliary accumulation of this panel of proteins was exponentially limited by their Stokes radii. Quantitative modeling suggests that the diffusion barrier operates as a molecular sieve at the base of cilia. Our study presents a set of powerful, generally applicable tools for the quantitative monitoring of ciliary protein diffusion under both physiological and pathological conditions.

  16. Synthesis and catalytic performance of ZSM-5/MCM-41 composite molecular sieve from palygorskite

    Science.gov (United States)

    Jiang, Jinlong; Wu, Mei; Yang, Yong; Duanmu, Chuansong; Chen, Jing; Gu, Xu

    2017-10-01

    ZSM-5/MCM-41 composite molecular sieve has been hydrothermally synthesized through a two-step crystallization process using palygorskite (PAL) as silicon and aluminum source. The products were characterized by various means and their catalytic properties for acetalization of cyclohexanone and esterification of acetic acid and n-butanol were also investigated. In the first step ZSM-5 zeolite could be formed from the acid-treated PAL after hydrothermal treatment using tetrapropylammonium bromide as template. XRD patterns, N2 adsorption and desorption data, and TEM images show that the composite obtained in the secondary step had a well-ordered mesoporous MCM-41 phase and a microporous ZSM-5 zeolite phase. Compared with ZSM-5, ZSM-5/MCM-41 composite possessed more total acid amount, weak acid sites and large pore structure due to the formation of MCM-41 and exhibited higher catalytic activity for the acetalization and esterification reaction.

  17. Treatment of VOCs with molecular sieve catalysts in regenerative catalytic oxidizer.

    Science.gov (United States)

    Huang, Shih-Wei; Lou, Jie-Chung; Lin, Yung-Chang

    2010-11-15

    This work prepares molecular sieve catalysts with various metal species and various metal weight loadings by impregnation, and then screens them in a catalytic combustion system. The current study further investigates the molecular sieve catalyst in an RCO system after it performed well in combustion efficiency. This work tests its performances in terms of CO(2) yield, pressure drop, the difference between temperatures of the inlet and outlet gases (T(d)), and thermal recovery efficiency (TRE), with various operational conditions. Experimental results demonstrate that the 10 wt% Cu/(MS) catalyst was the most active because it has the greatest combustion efficiency to treat volatile organic compounds (VOCs) than Co/(MS) catalysts and Mn/(MS) catalysts. The 10 wt% Cu/(MS) catalyst used in an RCO system reaches over 95% CO(2) yields under the heating zone temperature (T(set))=400°C, gas velocity (U(g))=0.37 m/s, isopropyl alcohol (IPA) concentration=200-400 ppm conditions. Moreover, the RCO system performed well in economic efficiency with the RCO with in terms of TRE, T(d) and pressure drop. The TRE ranged from 90.4% to 94.6% and T(d) ranged from 14.0 to 34.2°C under various conditions at T(set)=300-450°C. Finally, the results of the stability test demonstrated that the catalyst was very stable at various U(g) values and various T(set) values. Copyright © 2010 Elsevier B.V. All rights reserved.

  18. Practical-scale tests of cryogenic molecular sieve for separating low-concentration hydrogen isotopes from helium

    Science.gov (United States)

    Willms, R. S.; Taylor, D. J.; Enoeda, Mikio; Okuno, Kenji

    1994-04-01

    Earlier bench-scale work at the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory examined a number of adsorbents for their suitability for separating low-concentration hydrogen (no tritium) from helium. One of the effective adsorbents was Linde 5A molecular sieve. Recently, experiments including tritium were conducted using practical-scale adsorbers. These tests used existing cryogenic molecular sieve beds (CMSB's) which each contain about 1.6 kg of Linde 5A molecular sieve. They are part of the TSTA integrated tritium processing system. Gas was fed to each CMSB at about 13 SLPM with a nominal composition of 99% He, 0.98% H2, and 0.02% HT. In all cases, for an extended period of time, the beds allowed no detectable (via Raman spectroscopy) hydrogen isotopes to escape in the bed effluent. Thereafter, the hydrogen isotopes appeared in the bed exit with a relatively sharp breakthrough curve. This work concludes that cryogenic molecular sieve adsorption is a practical and effective means of separating low-concentration hydrogen isotopes from a helium carrier.

  19. Potential Use of Molecular Sieves for the Removal of Ni2+ Metal Ion: Kinetics, Isotherms and Thermodynamic Studies

    Science.gov (United States)

    Gaddala, Babu Rao; Monditoka, Krishna Prasad; Challa, Venkata Ramachandra Murthy; Kadimpati, Kishore Kumar

    2016-10-01

    The potential of using molecular sieves as adsorbent for the removal of nickel from aqueous solution was investigated. The isotherms and kinetics of nickel adsorption using 3 Å molecular sieves were evaluated. The results indicated that equilibrium was established in about 5 h. The effect of the pH was examined in the range of 2-6. The maximum removal of nickel obtained is at pH value of 5. The effect of dosage also evaluated to get optimum adsorption of nickel. The maximum adsorption capacity at 25 °C is 18.25 mg/g. The effect of temperature has been carried out at 15, 25, 30, and 40 °C. The data obtained from adsorption isotherms of nickel at different temperatures fit to linear form of Freundlich adsorption equation followed by Langmuir equations. Adsorption kinetic data were modelled using the pseudo-first and pseudo-second-order equation models. The results indicated that the pseudo-second-order model was best described adsorption kinetic data. The thermodynamic parameters such as enthalpy (ΔH°), free energy (ΔG°), and entropy (ΔS°) were calculated. They show that adsorption of nickel onto molecular sieves is an exothermic process. These results show that molecular sieves are a good adsorbent for the removal of nickel from aqueous solutions and could be used as a purifier for water and wastewater.

  20. Organotemplate-free hydrothermal synthesis of an aluminophosphate molecular sieve with AEN zeotype topology and properties of its derivatives.

    Science.gov (United States)

    Wang, Yanyan; Sun, Yanjun; Mu, Ying; Zhang, Chuanqi; Li, Jiyang; Yu, Jihong

    2014-12-18

    A facile organotemplate-free route has been developed to synthesize an aluminophosphate molecular sieve in an alkali metal-containing system under hydrothermal conditions. The as-prepared JU93 possesses AEN zeotype topology with small 8-ring pores, and its derivatives show ion conductivity and adsorption selectivity of CO2 over CH4.

  1. Enhanced catalytic performance of copper-exchanged SAPO-34 molecular sieve in methanol-to-olefin reaction.

    Science.gov (United States)

    Kim, Sun Jung; Park, Ji Won; Lee, Kwang Young; Seo, Gon; Song, Mee Kyung; Jeong, Soon-Yong

    2010-01-01

    Methanol-to-olefin (MTO) reaction over copper-exchanged SAPO-34 catalysts was investigated in order to extend their catalyst life. The exchange of copper ions into the cages of an SAPO-34 molecular sieve was confirmed by ESR, XPS, and 129Xe NMR techniques. Copper ions located in its cages considerably reduced its deactivation rate in the MTO reaction, while those dispersed on the external surface of the SAPO-34 molecular sieve accelerated the deactivation due to the limited mass transfer through the pore entrances. The 13C NMR and UV-VIS spectroscopy investigations of the materials occluded on the copper-exchanged SAPO-34 catalysts during the MTO reaction clearly showed that the copper ions exchanged in the cages suppressed the further condensation of alkyl aromatics to large, fused polycyclic aromatic hydrocarbons (PAHs). Theoretical calculations for the SAPO-34 and copper-exchanged SAPO-34 molecular sieves supported this observation because copper ions located in the cages stabilized the alkyl aromatics. Therefore, the exchange of copper ions into the SAPO-34 molecular sieve stabilized the reactive intermediates, alkyl aromatics, of the MTO reaction and suppressed their further condensation to PAHs, thereby slowing the deactivation.

  2. Aplicação catalítica de peneiras moleculares básicas micro e mesoporosas Catalytic applications of basic micro and mesoporous molecular sieves

    Directory of Open Access Journals (Sweden)

    Leandro Martins

    2006-04-01

    Full Text Available Catalysis by solid acids has received much attention due to its importance in petroleum refining and petrochemical processes. Relatively few studies have focused on catalysis by bases and even les on using basic molecular sieves. This paper deals with the potential application of micro and mesoporous molecular sieves in base catalysis reactions. The paper is divided in two parts, the first one dedicated to the design of the catalysts and the second to some relevant examples of catalytic reactions, which find a huge field of applications essentially in the synthesis of fine chemicals. Here, recent developments in catalysis by basic molecular sieves and the perspectives of applications in correlated catalytic processes are described.

  3. Molecular sieving action of the cell membrane during gradual osmotic hemolysis

    Energy Technology Data Exchange (ETDEWEB)

    MacGregor, R.D. II

    1977-05-01

    Rat erythrocytes were hemolyzed by controlled gradual osmotic hemolysis to study cell morphology and hemoglobin loss from individual cells. Results suggest that each increase in the rate of loss of a protein from the cells during the initial phases of controlled gradual osmotic hemolysis is caused by the passage of a previously impermeable species across the stressed membrane. Similarly, during the final stages of controlled gradual osmotic hemolysis, each sharp decrease in the rate of loss of a protein corresponds to the termination of a molecular flow. A theoretical model is described that predicts the molecular sieving of soluble globular proteins across the stressed red cell membrane. Hydrophobic interactions occur between the soluble proteins and the lipid bilayer portion of the cell membrane. A spectrin network subdivides the bilayer into domains that restrict the insertion of large molecules into the membrane. Other membrane proteins affect soluble protein access to the membrane. Changes in the loss curves caused by incubation of red cells are discussed in terms of the model.

  4. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    Energy Technology Data Exchange (ETDEWEB)

    Carran, Richard S.; Ghosh, Arun, E-mail: Arun.Ghosh@agresearch.co.nz; Dyer, Jolon M.

    2013-12-15

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na{sup +} and Ca{sup 2+} exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics.

  5. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    Science.gov (United States)

    Carran, Richard S.; Ghosh, Arun; Dyer, Jolon M.

    2013-12-01

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na+ and Ca2+ exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics.

  6. Continuously Adjustable, Molecular-Sieving “Gate” on 5A Zeolite for Distinguishing Small Organic Molecules by Size

    Science.gov (United States)

    Song, Zhuonan; Huang, Yi; Xu, Weiwei L.; Wang, Lei; Bao, Yu; Li, Shiguang; Yu, Miao

    2015-09-01

    Zeolites/molecular sieves with uniform, molecular-sized pores are important for many adsorption-based separation processes. Pore size gaps, however, exist in the current zeolite family. This leads to a great challenge of separating molecules with size differences at ~0.01 nm level. Here, we report a novel concept, pore misalignment, to form a continuously adjustable, molecular-sieving “gate” at the 5A zeolite pore entrance without sacrificing the internal capacity. Misalignment of the micropores of the alumina coating with the 5A zeolite pores was related with and facilely adjusted by the coating thickness. For the first time, organic molecules with sub-0.01 nm size differences were effectively distinguished via appropriate misalignment. This novel concept may have great potential to fill the pore size gaps of the zeolite family and realize size-selective adsorption separation.

  7. Degradation of antibiotic amoxicillin using 1 x 1 molecular sieve-structured manganese oxide.

    Science.gov (United States)

    Kuan, Wen-Hui; Hu, Ching-Yao; Liu, Bin-Sheng; Tzou, Yu-Min

    2013-01-01

    The kinetics and mechanism ofamoxicillin (AMO) degradation using a 1 x 1 molecular sieve-structured manganese oxide (MnO2) was studied. The presence of the buffer solution (i.e., NaHCO3, NaH2PO4 and KH2PO4) diminished AMO binding to MnO2, thus reducing AMO degradation in the pretest; therefore, all other experiments in this study were conducted without the addition of a buffer. Third-order rate constants, second-order on AMO and first-order on MnO2 increased with elevating pH level (2.81-7.23) from 0.54 to 9.17 M(-2) s(-1), and it decreased to 4.27 M(-2) s(-1) at pH 8.53 beyond the pk(a2) of AMO (7.3). The dissolution of the MnO2 suspension with and without AMO exhibited a similar trend; that is, Mn2+ concentration increased with decreasing pH. However, the dissolution of MnO2 with AMO was greater than that without AMO, except for the reaction occurring at pH 8.53, partially indicating that MnO2 acts as an oxidant in AMO degradation. The preliminary chromatogram data display different products with varying pH reaction s, implying that AMO elimination using this 1 x 1 molecular sieve-structured MnO2 is by adsorption as well as oxidative degradation. A complementary experiment indicates that the amount of oxidatively degraded AMO increases substantially from 65.5% at 4 h to 95% at 48 h, whereas the AMO adsorbed onto MnO2 decreases slightly from 4.5% at4 h to 2.4% at 48 h. The oxidative degradation accounted for more AMO removal than adsorption over the whole reaction course, indicating that the oxidative reaction of AMO on MnO2 dominated the AMO removal.

  8. Covalent Anchoring of Chloroperoxidase and Glucose Oxidase on the Mesoporous Molecular Sieve SBA-15

    Directory of Open Access Journals (Sweden)

    Martin Hartmann

    2010-02-01

    Full Text Available Functionalization of porous solids plays an important role in many areas, including heterogeneous catalysis and enzyme immobilization. In this study, large-pore ordered mesoporous SBA-15 molecular sieves were synthesized with tetraethyl orthosilicate (TEOS in the presence of the non-ionic triblock co-polymer Pluronic P123 under acidic conditions. These materials were grafted with 3 aminopropyltrimethoxysilane (ATS, 3-glycidoxypropyltrimethoxysilane (GTS and with 3 aminopropyltrimethoxysilane and glutaraldehyde (GA-ATS in order to provide covalent anchoring points for enzymes. The samples were characterized by nitrogen adsorption, powder X-ray diffraction, solid-state NMR spectroscopy, elemental analysis, diffuse reflectance fourier transform infrared spectroscopy and diffuse reflectance UV/Vis spectroscopy. The obtained grafted materials were then used for the immobilization of chloroperoxidase (CPO and glucose oxidase (GOx and the resulting biocatalysts were tested in the oxidation of indole. It is found that enzymes anchored to the mesoporous host by the organic moieties can be stored for weeks without losing their activity. Furthermore, the covalently linked enzymes are shown to be less prone to leaching than the physically adsorbed enzymes, as tested in a fixed-bed reactor under continuous operation conditions.

  9. Tunable ionic-conductivity of collapsed Sandia octahedral molecular sieves (SOMS).

    Energy Technology Data Exchange (ETDEWEB)

    Pless, Jason; Nenoff, Tina Maria; Garino, Terry J.; Axness, Marlene

    2006-11-01

    This proposal focuses on the synthesis and characterization of ''tunable'' perovskite ceramics with resulting controlled strength and temperature of dielectric constants and/or with ionic conductivity. Traditional methods of synthesis involve high temperature oxide mixing and baking. We developed a new methodology of synthesis involving the (1) low temperature hydrothermal synthesis of metastable porous phases with ''tuned'' stoichiometry, and element types, and then (2) low temperature heat treatment to build exact stoichiometry perovskites, with the desired vacancy concentrations. This flexible pathway can lead to compositions and structures not attainable by conventional methods. During the course of this program, a series of Na-Nb perovskites were synthesized by calcining and collapsing microporous Sandia Octahedral Molecular Sieve (SOMS) phases. These materials were studied by various characterization techniques and conductivity measurements to better delineate stability and stoichiometry/bulk conductivity relationships. The conductivity can be altered by changing the concentration and type of the substituting framework cation(s) or by ion exchange of sodium. To date, the Na{sub 0.9}Mg{sub 0.1}Nb{sub 0.8}Ti{sub 0.2}O{sub 3-{delta}} shows the best conductivity.

  10. Moisture ingress prediction in polyisobutylene-based edge seal with molecular sieve desiccant

    Energy Technology Data Exchange (ETDEWEB)

    Kempe, Michael D. [National Renewable Energy Laboratory, Golden CO 80401 USA; Nobles, Dylan L. [National Renewable Energy Laboratory, Golden CO 80401 USA; Postak, Lori [Quanex IG Systems, Inc., Cambridge OH 43725 USA; Calderon, Jose Alonzo [First Solar, Inc., Perrysburg OH 43551 USA

    2017-10-26

    Often photovoltaic modules are constructed with materials that are sensitive to water. This is most often the case with thin film technologies, including perovskite cells, where the active layers are a few microns thick and can be sensitive to moisture, liquid water or both. When moisture or liquid water can ingress, a small amount of water can lead to corrosion and depending on the resulting reactions, a larger local detrimental effect is possible. To prevent moisture from contacting photovoltaic components, impermeable frontsheets and backsheets are used with a polyisobutylene (PIB)-based edge seal material around the perimeter. Here, we evaluate the ability of a PIB-based edge seal using a molecular sieve desiccant to keep moisture out for the expected module lifetime. Moisture ingress is evaluated using test coupons where the edge seal is placed between 2 pieces of glass, one of which has a metallic calcium film on it, and monitoring the moisture ingress distance as a function of time. We expose samples to different temperature and humidity conditions to create permeation models useful for extrapolation to field use. This extrapolation indicates that this PIB material is capable of keeping moisture out of a module for the desired lifetime.

  11. UTILIZATION OF ACTIVATED ZEOLITE AS MOLECULAR SIEVE IN CHROMATOGRAPHIC COLUMN FOR SEPARATION OF COAL TAR COMPOUNDS

    Directory of Open Access Journals (Sweden)

    Dwi Retno Nurotul Wahidiyah

    2010-06-01

    Full Text Available Application of activated zeolite (ZAA as molecular sieve to separate compounds of coal tar from vaccum fractional distillation, have been done. The size of zeolite was 10-20 mesh and used as solid phase in column chromatography with length of 30 cm. The first step of the research was coal pyrolisis and the product (tar was distillated by fractional column and vaccum system at reduced pressure 44 cmHg and maximum temperature at 200 oC. The distillate from this procedure was flowed to the column chromatography of zeolite (ZAA. The compound absorbed by zeolite was eluted with varying solvents, i.e: CCl4, acetone and ethanol. Each fraction was then analyzed by gas chromatography. The results showed, zeolite have a capability to separate the compounds of tar and it tends to absorb medium hydrocarbon. The nonpolar eluent [CCl4] gives the better result in eluting tar compound than polar (ethanol or medium polar eluents (acetone.   Keywords: zeolite, coal tar, column chromatography

  12. [Adsorption characteristics of acetone and butanone onto honeycomb ZSM-5 molecular sieve].

    Science.gov (United States)

    Du, Juan; Luan, Zhi-Qiang; Xie, Qiang; Ye, Ping-Wei; Li, Kai; Wang, Xi-Qin

    2013-12-01

    Adsorption capacity of acetone and acetone-butanone mixture onto honeycomb ZSM-5 molecular sieve was measured in this paper, and the influences of relative humidity, initial adsorbate concentration and airflow velocity on the adsorption process were investigated. Besides, adsorption performance parameters were calculated by Wheeler's equation. The results showed that relative humidity had no obvious influence on the acetone adsorption performance, which suggests that this material has good hydrophobic ability; in the low concentration range, the dynamic saturated adsorption capacity of acetone increased with the increase of initial concentration, but in the occasion of high concentration of acetone gas (more than 9 mg x L(-1)), the dynamic saturated adsorption capacity maintained at a certain level and did not vary with the increase of initial concentration; the increase of air flow velocity resulted in significant increase of acetone adsorption rate constant, at the same time the critical layer thickness of the adsorbent bed also increased significantly. In the cases of acetone-butanone mixture, the adsorption capacity of butanone onto ZSM-5 was clearly higher than that of acetone.

  13. Covalent Anchoring of Chloroperoxidase and Glucose Oxidase on the Mesoporous Molecular Sieve SBA-15

    Science.gov (United States)

    Jung, Dirk; Streb, Carsten; Hartmann, Martin

    2010-01-01

    Functionalization of porous solids plays an important role in many areas, including heterogeneous catalysis and enzyme immobilization. In this study, large-pore ordered mesoporous SBA-15 molecular sieves were synthesized with tetraethyl orthosilicate (TEOS) in the presence of the non-ionic triblock co-polymer Pluronic P123 under acidic conditions. These materials were grafted with 3-aminopropyltrimethoxysilane (ATS), 3-glycidoxypropyltrimethoxysilane (GTS) and with 3-aminopropyltrimethoxysilane and glutaraldehyde (GA-ATS) in order to provide covalent anchoring points for enzymes. The samples were characterized by nitrogen adsorption, powder X-ray diffraction, solid-state NMR spectroscopy, elemental analysis, diffuse reflectance fourier transform infrared spectroscopy and diffuse reflectance UV/Vis spectroscopy. The obtained grafted materials were then used for the immobilization of chloroperoxidase (CPO) and glucose oxidase (GOx) and the resulting biocatalysts were tested in the oxidation of indole. It is found that enzymes anchored to the mesoporous host by the organic moieties can be stored for weeks without losing their activity. Furthermore, the covalently linked enzymes are shown to be less prone to leaching than the physically adsorbed enzymes, as tested in a fixed-bed reactor under continuous operation conditions. PMID:20386667

  14. Molecular sieve supported ionic liquids as efficient adsorbent for CO2 capture

    Directory of Open Access Journals (Sweden)

    Yang Na

    2015-01-01

    Full Text Available [NH3e-mim][BF4], [OHe-mim][BF4] and [HOEAm] were selected and supported onto molecular sieves NaY, USY, SAPO-34 and MCM-41, to prepare supported ionic liquids. It was found that [NH3e-mim][BF4]/NaY has excellent CO2 adsorption performance, with adsorption capacity of 0.108 mmolCO2/g. This paper investigates the optimal adsorption conditions and recyclability of [NH3e-mim][BF4]/NaY. The results show that [NH3e-mim][BF4]/NaY has good CO2 adsorption under the condition of 20°C and 20% ILs loading amount. By vacuum heating, CO2 adsorption capacity reaches 0.451mmolCO2/g at fifth runs and reduces to 0.29mmolCO2/g at tenth runs. The structure and characterization of the [NH3e-mim][BF4]/NaY was examined by FT-IR, XRD, SEM and TG-DSC. TG-DSC also shows that it has good thermostability below 50°C.

  15. [Synthesis of manganese oxide octahedral molecular sieve and their application in catalytic oxidation of benzene].

    Science.gov (United States)

    Li, Dong-Yan; Liu, Hai-Di; Chen, Yun-Fa

    2011-12-01

    Manganese oxide octahedral molecular sieves (OMS-2) for VOCs catalytic combustion were synthesized by refluxing method. The crystal structure, particle morphology, pore structure and H2-reduction ability were characterized by XRD, SEM, N2 adsorption-desorption and H2-TPR techniques. The catalytic activities of the OMS-2 calcined at different temperatures in benzene combustion and the stability of the sample calcined at 300 degrees C were evaluated. The results indicated that the effect of calcinations temperature on the surface characters of catalysts was remarkable. With higher calcination temperature, the samples showed lower surface area and pore volume, but larger average pore size. At the same time, high calcination temperature leaded to low activity. The benzene conversion of the sample calcined at 300 degrees C was 50% degrees C at 200 degrees C and 90% at 250 degrees C, respectively. The catalytic activity exhibited only 5% reduction after reaction at 260 degrees C for 70 h, which indicated that the as-made catalysts were very stable after calcination at 300 degrees C.

  16. Adsorptive water removal from dichloromethane and vapor-phase regeneration of a molecular sieve 3A packed bed

    OpenAIRE

    Jovic, S Slavisa; Laxminarayan, Y; Keurentjes, JTF Jos; Schouten, JC Jaap; Schaaf, van der, S.

    2017-01-01

    The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation...

  17. Study on molecular sieve absorption of ground state HF molecules in a non-chain pulsed HF Laser

    Science.gov (United States)

    Ma, Lianying; Zhou, Songqing; Chao, Huang; Huang, Ke; Zhu, Feng; Luan, Kunpeng; Chen, Hongwei

    2017-05-01

    This paper describes the principle of non-chain pulsed HF laser, and analyzes the reason why the laser energy dropped severely with the accumulation of shots when the HF laser was in repetitive operation. In order to solve this problem, a molecular sieve absorption device was designed and mounted in the recirculation loop of the HF laser. Measurements of flow velocity indicated that the absorption device would just introduce a small decrease of flow velocity which would not influence the laser operation. Several types of molecular sieve (3A,4A,5A,13X) were used in absorbing experiments and the experiment results inferred that 3A molecular sieve was the most effective sorbent. All the experiments showed that the average drop of the output energy was not more than 5% after 1000 shots at 50Hz/20s. Compared to the energy drop of about 40% without the device, the absorption device could significantly improve the stability of the HF laser output energy and prolong the lifespan of laser medium gases.

  18. [Synergetic effects of silicon carbide and molecular sieve loaded catalyst on microwave assisted catalytic oxidation of toluene].

    Science.gov (United States)

    Wang, Xiao-Hui; Bo, Long-Li; Liu, Hai-Nan; Zhang, Hao; Sun, Jian-Yu; Yang, Li; Cai, Li-Dong

    2013-06-01

    Molecular sieve loaded catalyst was prepared by impregnation method, microwave-absorbing material silicon carbide and the catalyst were investigated for catalytic oxidation of toluene by microwave irradiation. Research work examined effects of silicon carbide and molecular sieve loading Cu-V catalyst's mixture ratio as well as mixed approach changes on degradation of toluene, and characteristics of catalyst were measured through scanning electron microscope, specific surface area test and X-ray diffraction analysis. The result showed that the fixed bed reactor had advantages of both thermal storage property and low-temperature catalytic oxidation when 20% silicon carbide was filled at the bottom of the reactor, and this could effectively improve the utilization of microwave energy as well as catalytic oxidation efficiency of toluene. Under microwave power of 75 W and 47 W, complete-combustion temperatures of molecular sieve loaded Cu-V catalyst and Cu-V-Ce catalyst to toluene were 325 degrees C and 160 degrees C, respectively. Characteristics of the catalysts showed that mixture of rare-earth element Ce increased the dispersion of active components in the surface of catalyst, micropore structure of catalyst effectively guaranteed high adsorption capacity for toluene, while amorphous phase of Cu and V oxides increased the activity of catalyst greatly.

  19. A direct route for the synthesis of nanometer-sized Bi2WO6 particles loaded on a spherical MCM-48 mesoporous molecular sieve.

    Science.gov (United States)

    Jiang, Lin; Wang, Lingzhi; Zhang, Jinlong

    2010-11-14

    Bi(2)WO(6) nanoparticles loaded on a spherical MCM-48 mesoporous molecular sieve with a high photocatalytic activity in the visible-light range was synthesized for the first time using a facile one-step process.

  20. Steam-stable hydrophobic ITQ-29 molecular sieve membrane with H(2) selectivity prepared by secondary growth using Kryptofix 222 as SDA.

    Science.gov (United States)

    Huang, Aisheng; Caro, Jürgen

    2010-11-07

    A neutral framework cation-free hydrophobic ITQ-29 molecular sieve membrane with hydrogen selectivity was prepared on porous α-Al(2)O(3) supports by using Kryptofix 222 as organic structure directing agent through secondary growth method.

  1. Analysis of the Sensitivity of K-Type Molecular Sieve-Deposited MWNTs for the Detection of SF6 Decomposition Gases under Partial Discharge

    Science.gov (United States)

    Zhang, Xiaoxing; Li, Xin; Luo, Chenchen; Dong, Xingchen; Zhou, Lei

    2015-01-01

    Sulfur hexafluoride (SF6) is widely utilized in gas-insulated switchgear (GIS). However, part of SF6 decomposes into different components under partial discharge (PD) conditions. Previous research has shown that the gas responses of intrinsic and 4 Å-type molecular sieve-deposited multi-wall carbon nanotubes (MWNTs) to SOF2 and SO2F2, two important decomposition components of SF6, are not obvious. In this study, a K-type molecular sieve-deposited MWNTs sensor was developed. Its gas response characteristics and the influence of the mixture ratios of gases on the gas-sensing properties were studied. The results showed that, for sensors with gas mixture ratios of 5:1, 10:1, and 20:1, the resistance change rate increased by nearly 13.0% after SOF2 adsorption, almost 10 times that of MWNTs sensors, while the sensors’ resistance change rate with a mixture ratio of 10:1 reached 17.3% after SO2F2 adsorption, nearly nine times that of intrinsic MWNT sensors. Besides, a good linear relationship was observed between concentration of decomposition components and the resistance change rate of sensors. PMID:26569245

  2. Analysis of the Sensitivity of K-Type Molecular Sieve-Deposited MWNTs for the Detection of SF₆ Decomposition Gases under Partial Discharge.

    Science.gov (United States)

    Zhang, Xiaoxing; Li, Xin; Luo, Chenchen; Dong, Xingchen; Zhou, Lei

    2015-11-11

    Sulfur hexafluoride (SF6) is widely utilized in gas-insulated switchgear (GIS). However, part of SF6 decomposes into different components under partial discharge (PD) conditions. Previous research has shown that the gas responses of intrinsic and 4 Å-type molecular sieve-deposited multi-wall carbon nanotubes (MWNTs) to SOF2 and SO2F2, two important decomposition components of SF6, are not obvious. In this study, a K-type molecular sieve-deposited MWNTs sensor was developed. Its gas response characteristics and the influence of the mixture ratios of gases on the gas-sensing properties were studied. The results showed that, for sensors with gas mixture ratios of 5:1, 10:1, and 20:1, the resistance change rate increased by nearly 13.0% after SOF2 adsorption, almost 10 times that of MWNTs sensors, while the sensors' resistance change rate with a mixture ratio of 10:1 reached 17.3% after SO2F2 adsorption, nearly nine times that of intrinsic MWNT sensors. Besides, a good linear relationship was observed between concentration of decomposition components and the resistance change rate of sensors.

  3. Analysis of the Sensitivity of K-Type Molecular Sieve-Deposited MWNTs for the Detection of SF6 Decomposition Gases under Partial Discharge

    Directory of Open Access Journals (Sweden)

    Xiaoxing Zhang

    2015-11-01

    Full Text Available Sulfur hexafluoride (SF6 is widely utilized in gas-insulated switchgear (GIS. However, part of SF6 decomposes into different components under partial discharge (PD conditions. Previous research has shown that the gas responses of intrinsic and 4 Å-type molecular sieve-deposited multi-wall carbon nanotubes (MWNTs to SOF2 and SO2F2, two important decomposition components of SF6, are not obvious. In this study, a K-type molecular sieve-deposited MWNTs sensor was developed. Its gas response characteristics and the influence of the mixture ratios of gases on the gas-sensing properties were studied. The results showed that, for sensors with gas mixture ratios of 5:1, 10:1, and 20:1, the resistance change rate increased by nearly 13.0% after SOF2 adsorption, almost 10 times that of MWNTs sensors, while the sensors’ resistance change rate with a mixture ratio of 10:1 reached 17.3% after SO2F2 adsorption, nearly nine times that of intrinsic MWNT sensors. Besides, a good linear relationship was observed between concentration of decomposition components and the resistance change rate of sensors.

  4. High-flux water desalination with interfacial salt sieving effect in nanoporous carbon composite membranes

    CERN Document Server

    Chen, Wei; Zhang, Qiang; Fan, Zhongli; Huang, Kuo-Wei; Zhang, Xixiang; Lai, Zhiping; Sheng, Ping

    2016-01-01

    Nanoporous carbon composite membranes, comprising a layer of porous carbon fiber structures with an average channel width of 30-60 nm grown on a porous ceramic substrate, are found to exhibit robust desalination effect with high freshwater flux. In three different membrane processes of vacuum membrane distillation, reverse osmosis and forward osmosis, the carbon composite membrane showed 100% salt rejection with 3.5 to 20 times higher freshwater flux compared to existing polymeric membranes. Thermal accounting experiments found that at least 80% of the freshwater pass through the carbon composite membrane with no phase change. Molecular dynamics simulations revealed a unique salt rejection mechanism. When seawater is interfaced with either vapor or the surface of carbon, one to three interfacial atomic layers contain no salt ions. Below the liquid entry pressure, the salt solution is stopped at the openings to the porous channels and forms a meniscus, while the surface layer of freshwater can feed the surface...

  5. Effect of soil sieving on respiration induced by low-molecular-weight substrates

    Czech Academy of Sciences Publication Activity Database

    Datta, R.; Vranová, V.; Pavelka, Marian; Rejšek, K.; Formanek, P.

    2014-01-01

    Roč. 28, č. 1 (2014), s. 119-124 ISSN 0236-8722 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0073; GA MŠk(CZ) LM2010007 Institutional support: RVO:67179843 Keywords : sieving * carbohydrates * phenolics * amino acids * microorganisms Subject RIV: EH - Ecology, Behaviour Impact factor: 1.117, year: 2014

  6. Integrated Testing of a 4-Bed Molecular Sieve and a Temperature-Swing Adsorption Compressor for Closed-Loop Air Revitalization

    Science.gov (United States)

    Knox, James C.; Mulloth, Lila M.; Affleck, David L.

    2004-01-01

    Accumulation and subsequent compression of carbon dioxide that is removed from space cabin are two important processes involved in a closed-loop air revitalization scheme of the International Space Station (ISS). The 4-Bed Molecular Sieve (4BMS) of ISS currently operates in an open loop mode without a compressor. This paper reports the integrated 4BMS and liquid-cooled TSAC testing conducted during the period of March 3 to April 18, 2003. The TSAC prototype was developed at NASA Ames Research Center (ARC). The 4BMS was modified to a functionally flight-like condition at NASA Marshall Space Flight Center (MSFC). Testing was conducted at MSFC. The paper provides details of the TSAC operation at various CO2 loadings and corresponding performance of CDRA.

  7. Diffusion energy profiles in silica mesoporous molecular sieves modelled with the fragment molecular orbital method

    Science.gov (United States)

    Roskop, Luke; Fedorov, Dmitri G.; Gordon, Mark S.

    2013-07-01

    The fragment molecular orbital (FMO) method is used to model truncated portions of mesoporous silica nanoparticle (MSN) pores. The application of the FMO/RHF (restricted Hartree-Fock) method to MCM-41 type MSNs is discussed and an error analysis is given. The FMO/RHF method is shown to reliably approximate the RHF energy (error ∼0.2 kcal/mol), dipole moment (error ∼0.2 debye) and energy gradient (root mean square [RMS] error ∼0.2 × 10-3 a.u./bohr). Several FMO fragmentation schemes are employed to provide guidance for future applications to MSN models. An MSN pore model is functionalised with (phenyl)propyl substituents and the diffusion barrier for benzene passing through the pore is computed by the FMO/RHF-D method with the Grimme dispersion correction (RHF-D). For the reaction coordinates examined here, the maximum FMO/RHF-D interaction energies range from -0.3 to -5.8 kcal/mol.

  8. Fabrication of highly b-oriented MFI film with molecular sieving properties by controlled in-plane secondary growth.

    Science.gov (United States)

    Liu, Yi; Li, Yanshuo; Yang, Weishen

    2010-02-17

    Here we report a facile method to fabricate highly b-oriented and submicrometer thin MFI films on substrates. Neither an anhydrous environment nor a specifically designed structure-directing agent (SDA) is required in the whole process, and by innovation of the secondary growth process, twin growth of the b-oriented seed layer is effectively suppressed with TPAOH as the SDA for the first time. Furthermore, various substrates with different surface conditions can be directly used as substrates without premodification. A Pt electrode also was successfully used as a substrate to grow this high quality MFI film, showing excellent molecular sieving ability in aqueous solution.

  9. Observation of heptamethylbenzenium cation over SAPO-type molecular sieve DNL-6 under real MTO conversion conditions.

    Science.gov (United States)

    Li, Jinzhe; Wei, Yingxu; Chen, Jingrun; Tian, Peng; Su, Xiong; Xu, Shutao; Qi, Yue; Wang, Quanyi; Zhou, You; He, Yanli; Liu, Zhongmin

    2012-01-18

    The heptamethylbenzenium cation (heptaMB(+)) has been speculated to be one of the most important active intermediates involved in the "hydrocarbon pool" mechanism of methanol-to-olefin (MTO) conversion. By the use of DNL-6, a newly synthesized SAPO-type molecular sieve with large cavities, heptaMB(+) has for the first time been directly observed during methanol conversion under real working conditions. (13)C-labeling experiments suggested that olefin formation mediated by heptaMB(+) mainly follows the side-chain mechanism. © 2011 American Chemical Society

  10. [Influence of ZSM-5(38)/Al-MCM-41 composite molecular sieve catalysts on pyrolysis of cellulose].

    Science.gov (United States)

    Liu, Xiaojuan; Yu, Fengwen; Nie, Yong; Luo, Yao; Ji, Jianbing

    2011-03-01

    Pyrolysis of cellulose with different catalysts has been conducted in a fixed-bed reactor. Micro-mesoporous composite molecular sieves of ZSM-5(38)/A1-MCM-41 with different Si/A1 ratios were prepared under hydrothermal conditions. With powder X-ray diffraction (XRD), the catalyst samples were characterized. GC-MS was used to analyze the bio-oil composition. The effects of catalysts on the pyrolysis product yields were investigated and the results were compared with the results of experiments performed without catalyst under the same pyrolitic conditions. The presence of the catalysts decreased the liquid yield, while increased the moisture content. The major improvement in the quality of bio-oil with the use of catalysts was the increase of DL-2,3-Butanediol. ZSM-5(38)/A1-MCM-41(20) favored the formation of phenol and 2-methoxy-phenol. In addition, these catalysts were all benefit for the generation of small molecular compounds. Also, it was found that ZSM-5(38) was better for the production of C4-C5 compounds. And micro-mesoporous composite molecular sieves mainly promoted the production of C6-C8 compounds.

  11. (Trans)esterification of mannose catalyzed by lipase B from Candida antarctica in an improved reaction medium using co-solvents and molecular sieve.

    Science.gov (United States)

    Nott, Katherine; Brognaux, Alison; Richard, Gaëtan; Laurent, Pascal; Favrelle, Audrey; Jérôme, Christine; Blecker, Christophe; Wathelet, Jean-Paul; Paquot, Michel; Deleu, Magali

    2012-01-01

    Four co-solvents (dimethylformamide [DMF], formamide, dimethyl sulfoxide [DMSO], and pyridine) were tested with tert-butanol (tBut) to optimize the initial rate (v₀) and yield of mannosyl myristate synthesis by esterification catalyzed by immobilized lipase B from Candida antarctica. Ten percent by volume of DMSO resulted in the best improvement of v₀ and 48-hr yield (respectively 115% and 13% relative gain compared to pure tBut). Use of molecular sieve (5% w/v) enhances the 48-hr yield (55% in tBut/DMSO [9:1, v/v]). Transesterification in tBut/DMSO (9:1, v/v) with vinyl myristate leads to further improvement of v₀ and 48-hr yield: a relative gain of 85% and 65%, respectively, without sieve and 25% and 10%, respectively, with sieve, compared to esterification. No difference in v₀ and 48-hr yield is observed when transesterification is carried out with or without sieve.

  12. Reversed thermo-switchable molecular sieving membranes composed of two-dimensional metal-organic nanosheets for gas separation

    Science.gov (United States)

    Wang, Xuerui; Chi, Chenglong; Zhang, Kang; Qian, Yuhong; Gupta, Krishna M.; Kang, Zixi; Jiang, Jianwen; Zhao, Dan

    2017-02-01

    It is highly desirable to reduce the membrane thickness in order to maximize the throughput and break the trade-off limitation for membrane-based gas separation. Two-dimensional membranes composed of atomic-thick graphene or graphene oxide nanosheets have gas transport pathways that are at least three orders of magnitude higher than the membrane thickness, leading to reduced gas permeation flux and impaired separation throughput. Here we present nm-thick molecular sieving membranes composed of porous two-dimensional metal-organic nanosheets. These membranes possess pore openings parallel to gas concentration gradient allowing high gas permeation flux and high selectivity, which are proven by both experiment and molecular dynamics simulation. Furthermore, the gas transport pathways of these membranes exhibit a reversed thermo-switchable feature, which is attributed to the molecular flexibility of the building metal-organic nanosheets.

  13. Gas-Transport-Property Performance of Hybrid Carbon Molecular Sieve−Polymer Materials

    KAUST Repository

    Das, Mita

    2010-10-06

    High-performance hybrid materials using carbon molecular sieve materials and 6FDA-6FpDA were produced. A detailed analysis of the effects of casting processes and the annealing temperature is reported. Two existing major obstacles, sieve agglomeration and residual stress, were addressed in this work, and subsequently a new membrane formation technique was developed to produce high-performing membranes. The successfully improved interfacial region of the hybrid membranes allows the sieves to increase the selectivity of the membranes above the neat polymer properties. Furthermore, an additional performance enhancement was seen with increased sieve loading in the hybrid membranes, leading to an actual performance above the upper bound for pure polymer membranes. The membranes were also tested under a mixed-gas environment, which further demonstrated promising results. © 2010 American Chemical Society.

  14. Catalytic Synthesis of n-Butyl Oleate by Cerium Complex Doped Y/SBA-15 Composite Molecular Sieve

    Science.gov (United States)

    Shi, Chunwei; Bian, Xue; Wu, Yongfu; Cong, Yufeng; Pei, Mingyuan

    2018-01-01

    Cerium ion was successfully incorporated into Y/SBA-15 micro-mesoporous molecular sieves via the hydrothermal synthesis method to give a series of composite materials. The prepared materials were thoroughly characterized using Fourier transform infrared spectroscopy (FT-IR), X-ray fluorescence spectroscopy (XRF), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) and differential thermo gravimetric analysis (TG-DTG). The results showed that the prepared composite materials retained the highly ordered mesoporous two-dimensional hexagonal structure of SBA-15 and the octagonal structure of Y. The catalyst Ce-Y/SBA-15 was prepared and characterized, then the esterification of n-butanol and oleic acid was studied with bismuth phosphotungstate as a catalyst. Using this model reaction, the effects of Ce-HY/SBA-15, molar ratio of alcohol to oleic acid, amount of catalysts, reaction time and reaction temperature were investigated. The experimental results show that the optimal reaction conditions were: 1.8:1 molar ratio of alcohol to acid, 5 % catalyst amount (based on weight of oleic acid), 4 h reaction time and reflux conditions. Under these conditions, the yield of esterification was 90.6 %. The results suggest that the addition of Ce can effectively improve the catalytic properties of composite molecular sieves.

  15. Green synthesis of mesoporous molecular sieve incorporated monoliths using room temperature ionic liquid and deep eutectic solvents.

    Science.gov (United States)

    Zhang, Li-Shun; Zhao, Qing-Li; Li, Xin-Xin; Li, Xi-Xi; Huang, Yan-Ping; Liu, Zhao-Sheng

    2016-12-01

    A hybrid monolith incorporated with mesoporous molecular sieve MCM-41 of uniform pore structure and high surface area was prepared with binary green porogens in the first time. With a mixture of room temperature ionic liquids and deep eutectic solvents as porogens, MCM-41 was modified with 3-(trimethoxysilyl) propyl methacrylate (γ-MPS) and the resulting MCM-41-MPS was incorporated into poly (BMA-co-EDMA) monoliths covalently. Because of good dispersibility of MCM-41-MPS in the green solvent-based polymerization system, high permeability and homogeneity for the resultant hybrid monolithic columns was achieved. The MCM-41-MPS grafted monolith was characterized by scanning electron microscopy, energy dispersive spectrometer area scanning, transmission electron microscopy, FT-IR spectra and nitrogen adsorption tests. Chromatographic performance of MCM-41-MPS grafted monolith was characterized by separating small molecules in capillary electrochromatography, including phenol series, naphthyl substitutes, aniline series and alkyl benzenes. The maximum column efficiency of MCM-41-MPS grafted monolith reached 209,000 plates/m, which was twice higher than the corresponding MCM-41-MPS free monolith. Moreover, successful separation of non-steroidal anti-inflammatory drugs and polycyclic aromatic hydrocarbons demonstrated the capacity in broad-spectrum application of the MCM-41-MPS incorporated monolith. The results indicated that green synthesis using room temperature ionic liquid and deep eutectic solvents is an effective method to prepare molecular sieve-incorporated monolithic column. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Microwave radiation hydrothermal synthesis and characterization of micro- and mesoporous composite molecular sieve Y/SBA-15

    Directory of Open Access Journals (Sweden)

    Wenyuan Wu

    2017-05-01

    Full Text Available A microwave radiation hydrothermal method to control synthesis of micro- and mesoporous Y/SBA-15 composite molecular sieves was reported. The synthesized SBA-15 and Y/SBA-15 were characterized by scanning electron microscopy (SEM and N2 adsorption–desorption. The three kinds of different concentrations of hydrochloric acid (0.75 M, 2 M and 3.25 M were used to investigate the effect on Y/SBA-15. The analysis results of the composite products indicated that the optimization synthesis condition employed zeolite type Y and TEOS as silicon sources under 0.75 M hydrochloric acid by the microwave radiation hydrothermal synthesis method. The N2 adsorption–desorption test results of micro–mesoporous composite molecular sieve type Y/SBA-15 in mesoporous extent indicated that SBET is 355.529 m2/g, D‾BET is 4.050 nm, and mesoporous aperture focuses on the distribution region of 5.3 nm. It was found that the received composite product has an appropriate proportion of smaller size, larger size pore structure and the thicker pore wall. In addition, its internal channels have a high degree of order and smooth flow in long-range channels.

  17. Spray-dried powders enhance vaginal siRNA delivery by potentially modulating the mucus molecular sieve structure.

    Science.gov (United States)

    Wu, Na; Zhang, Xinxin; Li, Feifei; Zhang, Tao; Gan, Yong; Li, Juan

    2015-01-01

    Vaginal small interfering RNA (siRNA) delivery provides a promising strategy for the prevention and treatment of vaginal diseases. However, the densely cross-linked mucus layer on the vaginal wall severely restricts nanoparticle-mediated siRNA delivery to the vaginal epithelium. In order to overcome this barrier and enhance vaginal mucus penetration, we prepared spray-dried powders containing siRNA-loaded nanoparticles. Powders with Pluronic F127 (F127), hydroxypropyl methyl cellulose (HPMC), and mannitol as carriers were obtained using an ultrasound-assisted spray-drying technique. Highly dispersed dry powders with diameters of 5-15 μm were produced. These powders showed effective siRNA protection and sustained release. The mucus-penetrating properties of the powders differed depending on their compositions. They exhibited different potential of opening mesh size of molecular sieve in simulated vaginal mucus system. A powder formulation with 0.6% F127 and 0.1% HPMC produced the maximum increase in the pore size of the model gel used to simulate vaginal mucus by rapidly extracting water from the gel and interacting with the gel; the resulting modulation of the molecular sieve effect achieved a 17.8-fold improvement of siRNA delivery in vaginal tract and effective siRNA delivery to the epithelium. This study suggests that powder formulations with optimized compositions have the potential to alter the steric barrier posed by mucus and hold promise for effective vaginal siRNA delivery.

  18. Molecular and phylogenetic characterization of the sieve element occlusion gene family in Fabaceae and non-Fabaceae plants.

    Science.gov (United States)

    Rüping, Boris; Ernst, Antonia M; Jekat, Stephan B; Nordzieke, Steffen; Reineke, Anna R; Müller, Boje; Bornberg-Bauer, Erich; Prüfer, Dirk; Noll, Gundula A

    2010-10-08

    The phloem of dicotyledonous plants contains specialized P-proteins (phloem proteins) that accumulate during sieve element differentiation and remain parietally associated with the cisternae of the endoplasmic reticulum in mature sieve elements. Wounding causes P-protein filaments to accumulate at the sieve plates and block the translocation of photosynthate. Specialized, spindle-shaped P-proteins known as forisomes that undergo reversible calcium-dependent conformational changes have evolved exclusively in the Fabaceae. Recently, the molecular characterization of three genes encoding forisome components in the model legume Medicago truncatula (MtSEO1, MtSEO2 and MtSEO3; SEO = sieve element occlusion) was reported, but little is known about the molecular characteristics of P-proteins in non-Fabaceae. We performed a comprehensive genome-wide comparative analysis by screening the M. truncatula, Glycine max, Arabidopsis thaliana, Vitis vinifera and Solanum phureja genomes, and a Malus domestica EST library for homologs of MtSEO1, MtSEO2 and MtSEO3 and identified numerous novel SEO genes in Fabaceae and even non-Fabaceae plants, which do not possess forisomes. Even in Fabaceae some SEO genes appear to not encode forisome components. All SEO genes have a similar exon-intron structure and are expressed predominantly in the phloem. Phylogenetic analysis revealed the presence of several subgroups with Fabaceae-specific subgroups containing all of the known as well as newly identified forisome component proteins. We constructed Hidden Markov Models that identified three conserved protein domains, which characterize SEO proteins when present in combination. In addition, one common and three subgroup specific protein motifs were found in the amino acid sequences of SEO proteins. SEO genes are organized in genomic clusters and the conserved synteny allowed us to identify several M. truncatula vs G. max orthologs as well as paralogs within the G. max genome. The unexpected

  19. Sieve methods

    CERN Document Server

    Halberstam, Heine

    2011-01-01

    Derived from the techniques of analytic number theory, sieve theory employs methods from mathematical analysis to solve number-theoretical problems. This text by a noted pair of experts is regarded as the definitive work on the subject. It formulates the general sieve problem, explores the theoretical background, and illustrates significant applications.""For years to come, Sieve Methods will be vital to those seeking to work in the subject, and also to those seeking to make applications,"" noted prominent mathematician Hugh Montgomery in his review of this volume for the Bulletin of the Ameri

  20. Synthesis of [11C]palmitic acid for PET imaging using a single molecular sieve 13X cartridge for reagent trapping, radiolabeling and selective purification.

    Science.gov (United States)

    Amor-Coarasa, Alejandro; Kelly, James M; Babich, John W

    2015-08-01

    Radiolabeled fatty acids are valuable metabolic tracers for PET imaging. Carbon-11 is widely used in clinical PET studies due to the prevalence of facile techniques enabling the incorporation of [(11)C]CO2 and [(11)C]CH3 into molecules and a short half-life (20.4 min) that translates into low patient dose. However, the short half-life considerably limits the time for radiosynthesis. Furthermore, the majority of the syntheses of [(11)C]palmitic acid in common use employ high starting [(11)C]CO2 activities and/or expensive equipment. [(11)C]CO2 was trapped with greater than 99.99% efficiency by a three stage cartridge packed with molecular sieve 13X, 100-120 mesh. The labeling of n-pentadecylmagnesium bromide took place in 5 min in the cartridge, and the [(11)C]palmitic acid product was selectively eluted in ethanol following alkaline and acidic washes of the column. The system reliably produced more than 925 MBq (25 mCi) of [(11)C]palmitic acid suitable for human use from 7.4 GBq (200 mCi) of [(11)C]CO2 in 8 min from end-of-bombardment. We have exploited the properties of the inexpensive molecular sieve 13X to develop a miniature, disposable and leak tight "gas capture" system for the rapid labeling and purification of [(11)C]fatty acids in good yield and >99% radiochemical purity. The rapidity of the synthesis and purification allows small [(11)C]CO2 starting activities to be used, and with no requirement for expensive synthesis equipment or facilities, the system can be implemented in any radiopharmaceutical center. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Crosslinkable mixed matrix membranes with surface modified molecular sieves for natural gas purification: I. Preparation and experimental results

    KAUST Repository

    Ward, Jason K.

    2011-07-01

    Dense film mixed matrix membranes (MMMs) comprised of SSZ-13 dispersed in a crosslinkable polyimide (PDMC) were fabricated and evaluated for carbon dioxide/methane separations. MMMs containing 25% (w/w) as-received (AR) SSZ-13 exhibited a carbon dioxide permeability of 153 Barrers with a carbon dioxide/methane ideal selectivity of 34.7 at 65. psia and 35 °C. This represents a permeability enhancement of 129% and a decline in selectivity of 4.7% over neat PDMC (PCO2=66.9 Barrers, αCO2/CH4=36.4). A sieve surface modification procedure was developed with the aim of improving SSZ-13/PDMC MMM transport properties. MMMs containing 25% (w/w) surface modified (SM) SSZ-13 exhibited a carbon dioxide permeability of 148 Barrers and carbon dioxide/methane selectivity of 38.9 at 65. psia and 35 °C, representing enhancements in both permeability and selectivity of 121% and 6.9%, respectively. Mixed gas permeation analyses of MMMs containing SM-SSZ-13 using a 10% carbon dioxide/90% methane mixture shows that permeability and selectivity enhancements of 47% and 13%, respectively, over neat PDMC are possible at 700. psia and 35 °C. © 2011 Elsevier B.V.

  2. Determination of molecular weight of silk fibroin by non-gel sieving capillary electrophoresis.

    Science.gov (United States)

    Wei, Wei; Zhang, Yaopeng; Shao, Huili; Hu, Xuechao

    2010-01-01

    A simple non-gel sieving capillary electrophoresis (NGSCE) method was established to determine the MW of silk fibroin using CE. The background electrolyte with a pH of 8.8 was based on three components: polyethylene glycol, tris(hydroxymethyl)aminomethane, and sodium dodecyl sulfate (SDS). NGSCE showed a good linear relationship with satisfactory reproducibility between the migration time and the MW of standard proteins. It was found that the regenerated silk fibroin had an MW around 83 kDa with a wide MW distribution (MWD). This absolute value is lower than the result obtained from SDS-polyacrylamide gel electrophoresis due to the different principles of the methods, but their similar MWD shapes indicated that NGSCE could be a feasible, highly sensitive, rapid method for determination of the MW of silk fibroin.

  3. Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Umarova, Zhanat; Botayeva, Saule; Yegenova, Aliya; Usenova, Aisaule [South Kazakhstan State University, 5, Tauke Khan Avenue, 160012 Shymkent (Kazakhstan)

    2015-05-15

    In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

  4. Synthesis of an extra-large molecular sieve using proton sponges as organic structure-directing agents.

    Science.gov (United States)

    Martínez-Franco, Raquel; Moliner, Manuel; Yun, Yifeng; Sun, Junliang; Wan, Wei; Zou, Xiaodong; Corma, Avelino

    2013-03-05

    The synthesis of crystalline microporous materials containing large pores is in high demand by industry, especially for the use of these materials as catalysts in chemical processes involving bulky molecules. An extra-large-pore silicoaluminophosphate with 16-ring openings, ITQ-51, has been synthesized by the use of bulky aromatic proton sponges as organic structure-directing agents. Proton sponges show exceptional properties for directing extra-large zeolites because of their unusually high basicity combined with their large size and rigidity. This extra-large-pore material is stable after calcination, being one of the very few examples of hydrothermally stable molecular sieves containing extra-large pores. The structure of ITQ-51 was solved from submicrometer-sized crystals using the rotation electron diffraction method. Finally, several hypothetical zeolites related to ITQ-51 have been proposed.

  5. Adsorptive Water Removal from Dichloromethane and Vapor-Phase Regeneration of a Molecular Sieve 3A Packed Bed.

    Science.gov (United States)

    Jović, Slaviša; Laxminarayan, Yashasvi; Keurentjes, Jos; Schouten, Jaap; van der Schaaf, John

    2017-05-03

    The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation of the experiments. The breakthrough curves are adequately described by a mathematical model that includes external mass transfer, pore diffusion, and surface diffusion. During the desorption step, the main heat transfer mechanism is the condensation of the superheated dichloromethane vapor. The regeneration time is shortened significantly by external bed heating. Cyclic steady-state experiments demonstrate the feasibility of this novel, zero-emission drying process.

  6. A novel molecular sieve supporting material for enhancing activity and stability of Ag3PO4 photocatalyst

    Science.gov (United States)

    Wu, Qiang; Wang, Peifu; Niu, Futao; Huang, Cunping; Li, Yang; Yao, Weifeng

    2016-08-01

    A small-pore silicon-substituted silicon aluminum phosphate (SAPO-34) molecular sieve, for the first time, is reported to significantly increase both the activity and life span of Ag3PO4 photocatalyst for visible-light degradation of methylene blue (MB) and rhodamine B (RhB). Results show that 60 wt.% Ag3PO4/SAPO-34 exhibits the highest photocatalytic degradation efficiencies for both MB (91.0% degradation within 2.0 min) and RhB (91.0% degradation within 7.0 min). In comparison, pure Ag3PO4 powder photocatalyst requires 8.0 min and 12.0 min for decomposing 91.0% of MB and RhB, respectively. During MB degradation the rate constant for 60 wt.% Ag3PO4/SAPO-34 increases 317.2% in comparison with the rate constant of pure Ag3PO4. This activity is also much higher than literature reported composite or supported Ag3PO4 photocatalysts. In three photocatalytic runs for the degradation of RhB, the rate constant for 60 wt.% Ag3PO4/SAPO-34 reduces from 0.33 to 0.18 min-1 (45.5% efficiency loss). In contrast, the rate constant of pure Ag3PO4 catalyst decreases from 0.2 to 0.07 min-1 (80.0% efficiency loss). All experimental results have shown that small pores and zero light absorption loss of SAPO-34 molecular sieves minimize Ag3PO4 loading, enhance photocatalytic activity and prolong the lifespan of Ag3PO4 photocatalyst.

  7. Highly oriented, neutral and cation-free AlPO4 LTA: from a seed crystal monolayer to a molecular sieve membrane.

    Science.gov (United States)

    Huang, Aisheng; Caro, Jürgen

    2011-04-14

    An oriented, neutral and cation-free AlPO(4) LTA molecular sieve membrane with high hydrogen selectivity was prepared on porous α-Al(2)O(3) supports through secondary growth of a highly oriented AlPO(4) LTA monolayer.

  8. Effect of lipase immobilization on resolution of (R, S)-2-octanol in nonaqueous media using modified ultrastable-Y molecular sieve as support.

    Science.gov (United States)

    Dai, Dazhang; Xia, Liming

    2006-07-01

    The lipase from Penicillium expansum PED-03 (PEL) was immobilized onto modified ultrastable-Y (USY) molecular sieve and the resolution of (R, S)- 2-octanol was carried out in a bioreactor in nonaqueous media by the immobilized lipase. It was found that the conversion rate, enantiomeric excess (ee) value, and enantioselectivity (E) value of the resolution catalyzed by PEL immobilized on modified USY molecular sieve were much higher than those of the reaction catalyzed by free PEL and PEL immobilized on other supports. Immobilized on modified USY molecular sieve, the PEL exhibited obvious activity within a wider pH range and at a much higher temperature and showed a markedly enhanced stability against thermal inactivation, by which the suitable pH of the buffer used for immobilization could be "memorized." The conversion rate of the reaction catalyzed by PEL immobilized on modified USY molecular sieve reached 48.84%, with excellent enantioselectivity (average E value of eight batches >460) in nonaqueous media at "memorial" pH 9.5, 50 degrees C for 24 h, demonstrating a good application potential in the production of optically pure (R, S)-2-octanol.

  9. Titanium(IV) in the organic-structure-directing-agent-free synthesis of hydrophobic and large-pore molecular sieves as redox catalysts.

    Science.gov (United States)

    Wang, Jingui; Yokoi, Toshiyuki; Kondo, Junko N; Tatsumi, Takashi; Zhao, Yanli

    2015-08-10

    Titanium(IV) incorporated into the framework of molecular sieves can be used as a highly active and sustainable catalyst for the oxidation of industrially important organic molecules. Unfortunately, the current process for the incorporation of titanium(IV) requires a large amount of expensive organic molecules used as organic-structure-directing agents (OSDAs), and this significantly increases the production costs and causes environmental problems owing to the removal of OSDAs by pyrolysis. Herein, an OSDA-free process was developed to incorporate titanium(IV) into BEA-type molecular sieves for the first time. More importantly, the hydrophobic environment and the robust, 3 D, and large pore structure of the titanium(IV)-incorporated molecular sieves fabricated from the OSDA-free process created a catalyst that was extremely active and selective for the epoxidation of bulky cyclooctene in comparison to Ti-incorporated BEA-type molecular sieves synthesized with OSDAs and commercial titanosilicate TS-1. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Carbones activos con propiedades de tamiz molecular

    Directory of Open Access Journals (Sweden)

    Manso, R.

    2000-08-01

    Full Text Available Carbon molecular sieves with micropore diameters of 0.41-0.54 nm were obtained by activation with water vapour to 6% burnoff of chars from oxidized bituminous coals and semianthracite. A temperature of 750ºC and a flow rate of 100 mL.min-1 of N2 with a 12.4% of steam content were used. Less developed microporosity was obtained from anthracite, that needed a 12% burn-off in order to obtain similar micropore development and size distribution. Activation temperature has an important influence in the development of microporosity of chars from anthracite. For chars from low rank coals narrower micropore size distributions can be obtained by using in the activation a low stream flow rate.

    Se prepararon tamices moleculares de carbono con distribución de microporos preferente en el intervalo 0,41-0,54 nm por activación al 6% de carbones bituminosos y de semiantracita preoxidados, a 750ºC y bajo flujos de 100 mL.min-1 de N2 con un contenido del 12,4% de vapor de agua; a partir de antracita activada se obtuvo un menor desarrollo microporoso, necesitando un grado de quemado del 12% para lograr distribuciones y desarrollos microporosos similares. La temperatura de activación ejerce una influencia importante en el desarrollo microporoso de la antracita, que es mayor si la temperatura utilizada durante el proceso es mas alta. El uso de flujos bajos de N2/vapor de agua durante la activación de los carbones bituminosos conduce a carbones activados con distribuciones de la anchura de microporos más estrechas.

  11. An improved process for the synthesis of VPI-5 molecular sieve

    Indian Academy of Sciences (India)

    VPI-5 was synthesized with lesser time duration. The synthesized sample was characterized by XRD, SEM, FT-IR, TG/DTA, 27Al and 31P MASNMR techniques, which shows that the synthesized sample was highly crystalline. Carbon and nitrogen analyses reveal that the sample contains no template molecules, however, ...

  12. Peroxymonosulfate activation and pollutants degradation over highly dispersed CuO in manganese oxide octahedral molecular sieve

    Science.gov (United States)

    Li, Jun; Ye, Peng; Fang, Jia; Wang, Manye; Wu, Deming; Xu, Aihua; Li, Xiaoxia

    2017-11-01

    Manganese oxide octahedral molecular sieves (OMS-2) supported CuO catalysts were synthesized, characterized and used in the removal of Acid Orange 7 (AO7) in aqueous solution by an oxidation process involving peroxymonosulfate (PMS). It was found that the CuO species were highly dispersed in OMS-2 with a high ratio of easily reduced surface oxygen species. The synergetic effect between CuO and OMS-2 significantly improved the dye degradation rate and catalytic stability, compared with CuO, OMS-2 and supported CuO on other materials. About 97% of the dye was removed within 15 min at neutral solution pH by using 0.2 g/L of CuO/OMS-2 and PMS. The effect of initial solution pH, PMS concentration, reaction temperature and CuO content in the composites on AO7 degradation was also investigated. Mechanism study indicated that SO4-rad radicals generated from the interaction between PMS and Mn and Cu species with different oxidation states, mainly accounted for the degradation.

  13. Ionothermal Synthesis of MnAPO-SOD Molecular Sieve without the Aid of Organic Structure-Directing Agents.

    Science.gov (United States)

    Liu, Hao; Tian, Zhijian; Wang, Lei; Wang, Yasong; Li, Dawei; Ma, Huaijun; Xu, Renshun

    2016-02-15

    An SOD-type metalloaluminophosphate molecular sieve (denoted as SOD-Mn) was ionothermally synthesized by introducing manganese(II) cations into the reaction mixture via MnO-acid or MnO2-reductant reactions. Composition and structure analyses results show that two kinds of manganese(II) cations exist in the SOD-Mn structure. Part of the manganese(II) cations isomorphously substitute the framework aluminum(III) with a substitution degree of ∼30%. The rest of the manganese(II) cations occupy a fraction of the sod cages in their hydrated forms. A comprehensive investigation of the synthesis parameters, crystal sizes, and crystallization kinetics indicates that the in situ released hydrated manganese(II) cations direct the formation of SOD-Mn. Such structure-directing effect may be inhibited by both the fluorination of manganese(II) cations and the water accumulation during crystallization. In the fluoride anion-containing reaction mixture with a low ionic liquid content, the crystallization process is strongly suppressed, and large SOD-Mn single crystals of over 200 μm in size are yielded. SOD-Mn is free from organics and shows improved thermal stability compared with metalloaluminophosphates synthesized by using organic structure-directing agents.

  14. Effects of octahedral molecular sieve on treatment performance, microbial metabolism, and microbial community in expanded granular sludge bed reactor.

    Science.gov (United States)

    Pan, Fei; Xu, Aihua; Xia, Dongsheng; Yu, Yang; Chen, Guo; Meyer, Melissa; Zhao, Dongye; Huang, Ching-Hua; Wu, Qihang; Fu, Jie

    2015-12-15

    This study evaluated the effects of synthesized octahedral molecular sieve (OMS-2) nanoparticles on the anaerobic microbial community in a model digester, expanded granular sludge bed (EGSB) reactor. The addition of OMS-2 (0.025 g/L) in the EGSB reactors resulted in an enhanced operational performance, i.e., COD removal and biogas production increased by 4% and 11% respectively, and effluent volatile fatty acid (VFA) decreased by 11% relative to the control group. The Biolog EcoPlate™ test was employed to investigate microbial metabolism in the EGSB reactors. Results showed that OMS-2 not only increased the microbial metabolic level but also significantly changed the community level physiological profiling of the microorganisms. The Illumina MiSeq high-throughput sequencing of 16S rRNA gene indicated OMS-2 enhanced the microbial diversity and altered the community structure. The largest bacterial genus Lactococcus, a lactic acid bacterium, reduced from 29.3% to 20.4% by abundance in the presence of 0.25 g/L OMS-2, which may be conducive to decreasing the VFA production and increasing the microbial diversity. OMS-2 also increased the quantities of acetogenic bacteria and Archaea, and promoted the acetogenesis and methanogenesis. The X-ray photoelectron spectroscopy illustrated that Mn(IV)/Mn(III) with high redox potential in OMS-2 were reduced to Mn(II) in the EGSB reactors; this in turn affected the microbial community. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Protein sterilization method of firefly luciferase using reduced pressure and molecular sieves

    Science.gov (United States)

    Chappelle, E. W.; Rich, E., Jr. (Inventor)

    1973-01-01

    The sterilization of the protein fruitfly luciferase under conditions that prevent denaturation is examined. Denaturation is prevented by heating the protein in contact with molecular seives and under a reduced pressure of the order of 0.00005 millimeters of mercury.

  16. Molecular sieving properties of the cytoplasm of Escherichia coli and consequences of osmotic stress

    NARCIS (Netherlands)

    Mika, Jacek T.; van den Bogaart, Geert; Veenhoff, Liesbeth; Krasnikov, Victor; Poolman, Bert

    We determined the diffusion coefficients (D) of (macro)molecules of different sizes (from ~0.5 to 600 kDa) in the cytoplasm of live Escherichia coli cells under normal osmotic conditions and osmotic upshift. D values decreased with increasing molecular weight of the molecules. Upon osmotic upshift,

  17. Selective D2 adsorption enhanced by the quantum sieving effect on entangled single-wall carbon nanotubes.

    Science.gov (United States)

    Noguchi, Daisuke; Tanaka, Hideki; Fujimori, Toshihiko; Kagita, Hirotoshi; Hattori, Yoshiyuki; Honda, Hiroaki; Urita, Koki; Utsumi, Shigenori; Wang, Zheng-Ming; Ohba, Tomonori; Kanoh, Hirofumi; Hata, Kenji; Kaneko, Katsumi

    2010-08-25

    The quantum sieving effect of D(2) over H(2) is examined at 40 and 77 K by means of experiments and GCMC simulations, for two types of single-wall carbon nanotubes that are distinguishable by their unique entangled structures; (1) a well-bundled SWCNT and (2) loosely-assembled SWCNT produced by the super growth method (SG-SWCNT). Oxidized SWCNT samples of which the so-called internal sites are accessible for H(2) and D(2), are also studied. Experimental H(2) and D(2) adsorption properties on the well-bundled SWCNTs are compared with the simulated ones, revealing that pore-blocking and restricted diffusion of the molecules suppress the high selectivity of D(2) over H(2). The non-oxidized SG-SWCNT assembly shows the highest selectivity among the SWCNT samples, both at 40 and 77 K. The high selectivity of the SG-SWCNT assembly, which is pronounced even at 77 K, is ascribed to their unique assembly structure.

  18. Highly tunable molecular sieving and adsorption properties of mixed-linker zeolitic imidazolate frameworks.

    Science.gov (United States)

    Eum, Kiwon; Jayachandrababu, Krishna C; Rashidi, Fereshteh; Zhang, Ke; Leisen, Johannes; Graham, Samuel; Lively, Ryan P; Chance, Ronald R; Sholl, David S; Jones, Christopher W; Nair, Sankar

    2015-04-01

    Nanoporous zeolitic imidazolate frameworks (ZIFs) form structural topologies equivalent to zeolites. ZIFs containing only one type of imidazole linker show separation capability for limited molecular pairs. We show that the effective pore size, hydrophilicity, and organophilicity of ZIFs can be continuously and drastically tuned using mixed-linker ZIFs containing two types of linkers, allowing their use as a more general molecular separation platform. We illustrate this remarkable behavior by adsorption and diffusion measurements of hydrocarbons, alcohols, and water in mixed-linker ZIF-8(x)-90(100-x) materials with a large range of crystal sizes (338 nm to 120 μm), using volumetric, gravimetric, and PFG-NMR methods. NMR, powder FT-Raman, and micro-Raman spectroscopy unambiguously confirm the mixed-linker nature of individual ZIF crystals. Variation of the mixed-linker composition parameter (x) allows continuous control of n-butane, i-butane, butanol, and isobutanol diffusivities over 2-3 orders of magnitude and control of water and alcohol adsorption especially at low activities.

  19. Energy-efficient hydrogen separation by AB-type ladder-polymer molecular sieves

    KAUST Repository

    Ghanem, Bader

    2014-07-19

    The synthesis, microstructures, and exceptional gas transport properties of two new soluble ladder polymers, polymers of intrinsic microporosity (TPIM-1 and TPIM-2) containing triptycene moieties substituted with branched isopropyl and linear propyl chains at the 9,10-bridgeheads were reported. The precursor A-B monomers were modified with an o -difluoride functionality for enhanced activation for nucleophilic aromatic substitution. In a Schlenk tube, a mixture of the A-B monomer, 18-crown-6, anhydrous DMF and anhydrous potassium carbonate was stirred at 155 °C under nitrogen atmosphere for 20 min followed by the addition of toluene. The reaction was continued for another 45 min and more toluene was added. After another 45 min the reaction mixture was cooled to room temperature and poured into methanol. Slow evaporation of filtered, dilute 3-5 wt% chloroform solutions from a leveled glass plate yielded isotropic polymer films. Dry membranes were soaked in methanol for 24 h, air-dried, and then heated at 120°C for 24 h under high vacuum to remove any traces of residual solvent. TPIM-1 exhibits simultaneous boosts in permeability and selectivity, which highlights the significant potential of an isopropyl-substituted triptycene moiety as a contortion center for ladder PIMs.

  20. Preparation of molecular sieve from natural pyrophyllite and characterization of its Al/Si ratio, crystal structure, and Porosity

    Science.gov (United States)

    Idiawati, Riris; Fuad, Abdulloh; Mufti, Nandang; Hartatiek; Bahtiar, Syamsul; Subakti; Taufiq, Ahmad

    2017-05-01

    Pyrophyllite is one abundant mineral in Indonesia which has not been optimally processed. Hence, this study further processed natural pyrophyllite to be an advanced material usable for industrial sector as a molecular sieve (MS). Natural pyrophyllitewas chosen due to its ability to filter gas or liquid selectively. The MS made from natural pyrophyllite was prepared by using a simple method, in short time and with less cost via leaching process. NaOH was varied to 10 M (MS1), 15 M (MS2), and 20 M (MS3) of molarity. Such solution was subsequently dissolved in distilled water and followed by decantation and filtration processes to obtain the deposit. Eventually, the deposit was drained to form MS powders. The BET characterization showed that the respective surface areas of MS1, MS2, and MS3 are 0.350 m2/g, 2.869 m2/g, and 1.176 m2/g with the pore sizes of 30Å, 542 Å, and 550 Å, respectively. The XRF characterization results showed that the Al/Si ratio of MS10, MS15, and MS20 are 2.4, 2.2, and 2.3, respectively. Meanwhile, the XRD investigation pointed out that the primary phase of MS10 and MS15 samples wassodalite with cubic crystal system, quartz with hexagonal crystal system, and diaspore with orthorhombic crystal system, while the MS20 phase was pure in the form of sodalite phase. Moreover, the results of FITR characterization showed that the synthesized MS has a functional group of Si-O-Si bending, Si-O-Al, Si-O, Si-O normal to the plane stretching, inner surface Al-OH deformation, Si-O-Si siloxine, H-O-H, -OH, C-H stretching, and H-O-H bending water.

  1. Comparative studies of Zr-based MCM-41 and MCM-48 mesoporous molecular sieves: Synthesis and physicochemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Chen, L.F. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana-A, Av. San Pablo 180, Col. Reynosa-Tamaulipas, 02200 Mexico D.F. (Mexico)]. E-mail: chenlf2001@yahoo.com; Zhou, X.L. [Petroleum Processing Research Center, East China University of Science and Technology, 200237 Shanghai (China); Norena, L.E. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana-A, Av. San Pablo 180, Col. Reynosa-Tamaulipas, 02200 Mexico D.F. (Mexico)]. E-mail: lnf@correo.azc.uam.mx; Wang, J.A. [Laboratorio de Catalisis y Materiales, SEPI-ESIQIE, Instituto Politecnico Nacional, Av. Politecnico S/N, Col. Zacatenco, 07738 Mexico D.F. (Mexico); Navarrete, J. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Salas, P. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Montoya, A. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Del Angel, P. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Llanos, M.E. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico)

    2006-12-30

    Two surfactant-templated synthetic routes are developed for the preparation of new types of mesoporous molecular sieves, Zr-MCM-41 and Zr-MCM-48, using different Si sources but keeping the same zirconium precursor (zirconium-n-propoxide). When fumed silica was used as Si precursor, a Zr-MCM-48 material of cubic structure was formed with a surface area of 654.8 m{sup 2}/g and an unimodal pore diameter distribution. It shows low stability: after calcination at 600 deg. C, the ordered structure was transformed into a relatively disordered worm-like mesostructure with many defects and silanol groups. The use of tetraethyl orthosilicate as Si source led to the formation of a Zr-MCM-41 mesoporous solid, which had good thermal stability and a highly ordered hexagonal arrangement, with a surface area 677.9 m{sup 2}/g and an uniform pore diameter distribution. Fourier transform infrared (FT-IR) characterization and {sup 29}Si NMR analysis confirm that zirconium ions indeed incorporated into the framework of the solid. The in situ FT-IR spectroscopy of pyridine adsorption reveals that both, Lewis and Broensted acid sites, were formed on the surface of these mesoporous materials. The strength and number of the Broensted acid sites of the Zr-MCM-48 solid were greater than those of the Zr-MCM-41, due to a lower degree of condensation reaction during the synthesis that led to more structural defects in the framework and more silanol groups stretching from the solid surface.

  2. The effects of manganese oxide octahedral molecular sieve chitosan microspheres on sludge bacterial community structures during sewage biological treatment

    Science.gov (United States)

    Pan, Fei; Liu, Wen; Yu, Yang; Yin, Xianze; Wang, Qingrong; Zheng, Ziyan; Wu, Min; Zhao, Dongye; Zhang, Qiu; Lei, Xiaoman; Xia, Dongsheng

    2016-11-01

    This study examines the effects of manganese oxide octahedral molecular sieve chitosan microspheres (Fe3O4@OMS-2@CTS) on anaerobic and aerobic microbial communities during sewage biological treatment. The addition of Fe3O4@OMS-2@CTS (0.25 g/L) resulted in enhanced levels of operational performance for decolourization dye X-3B. However, degradation dye X-3B inhibition in the presence of Fe3O4@OMS-2@CTS was recorded as greater than or equal to 1.00 g/L. Illumina MiSeq high throughput sequencing of the 16 S rRNA gene showed that 108 genera were observed during the anaerobic process, while only 71 genera were observed during the aerobic process. The largest genera (Aequorivita) decreased from 21.14% to 12.65% and the Pseudomonas genera increased from 10.57% to 12.96% according to the abundance in the presence of 0.25 g/L Fe3O4@OMS-2@CTS during the anaerobic process. The largest Gemmatimonas genera decreased from 21.46% to 11.68% and the Isosphaerae genera increased from 5.8% to 11.98% according to the abundance in the presence of 0.25 g/L Fe3O4@OMS-2@CTS during the aerobic process. Moreover, the X-ray photoelectron spectroscopy results show that the valence states of Mn and Fe in Fe3O4@OMS-2@CTS changed during sewage biological treatment.

  3. A Cu/Al-MCM-41 mesoporous molecular sieve: application in the abatement of no in exhaust gases

    Directory of Open Access Journals (Sweden)

    M. S. Batista

    2005-09-01

    Full Text Available Propane oxidation and reduction of NO to N2 with propane under oxidative conditions on a Cu-Al-MCM-41 mesoporous molecular sieve and Cu-ZSM-5 zeolites were studied. Both types of catalysts were prepared by ion exchange in aqueous solutions of copper acetate and characterised by X-ray diffraction (XRD, nitrogen sorption measurement, diffuse reflectance ultra-violet spectroscopy (DRS-UV, diffuse reflectance infra-red Fourier transform spectroscopy (DRIFTS of the adsorption of CO on Cu+ and temperature-programmed reduction with hydrogen (H2-TPR. The NO reduction was performed between 200 and 500 ºC using a GHSV = 42,000 h-1. H2-TPR data showed that in the prepared Cu-Al-MCM-41 all the Cu atoms are on the surface of the mesopores as highly dispersed CuO, which results in a decrease in specific surface area and in mesopore volume. H2-TPR together with DRIFTS data provided evidence that in Cu/ZSM-5 catalysts, Cu atoms are found as two different Cu2+ cations: Cualpha2+ and Cubeta2+, which are located on charge compensation sites, and their thermo-redox properties were different from those of Cu atoms in Cu-Al-MCM-41. The specific activity of the Cu2+ exchangeable cations in Cu-ZSM-5, irrespective of their nature, was much greater than that of the Cu2+ in Cu-Al-MCM-41, where they are found as CuO.

  4. Effect of the Si/Zr molar ratio on the synthesis of Zr-based mesoporous molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Salas, P. [Centro de Fisica Aplicada y Tecnologia Avanzada, Universidad Nacional Autonoma de Mexico, Apartado Postal 1-1010, Queretaro 76000 (Mexico)], E-mail: psalas@fata.unam.mx; Wang, J.A. [Escuela Superior de Ingenieria Quimica e Industrias Extractivas, Instituto Politecnico Nacional, Av. Politecnico S/N, Col. Zacatenco, 07738 Mexico D.F. (Mexico); Armendariz, H.; Angeles-Chavez, C. [Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Chen, L.F. [Escuela Superior de Ingenieria Quimica e Industrias Extractivas, Instituto Politecnico Nacional, Av. Politecnico S/N, Col. Zacatenco, 07738 Mexico D.F. (Mexico)

    2009-03-15

    Highly ordered Zr-based mesoporous molecular sieves were synthesized via a surfactant-templated method and the effect of the Si/Zr molar ratio on the crystalline structure, textural properties and surface acidity were studied by XRD, FTIR, TEM and {sup 29}Si MAS-NMR techniques. FTIR spectra show that the intensity of the band around 890 cm{sup -1} which corresponds to the vibration of Si-O-Zr bond was increased with increasing of the zirconium content, therefore, this band may be used as an indicator of the degree of the zirconium incorporation into the Si-framework. When the zirconium content increased in the materials, the Q{sup 3}/Q{sup 4} value obtained from {sup 29}Si MAS-NMR was linearly increased, whereas, the intensity the XRD peaks was gradually reduced; as a result, the pore wall thickness of the resultant materials was gradually increased, the surface area and the structural regularity were diminished. In order to obtain Zr-MCM-41 with highly ordered mesostructure and large surface area, proper Si/Zr molar ratio is a key factor, e.g., Si/Zr should be no less than 10. It was also found that the Bronsted acid sites which resulted from charge unbalance or local structure deformation due to the Zr{sup 4+} incorporation into the vicinity of the hydroxyls carrying silicon were created on the surface of the Zr-MCM-41 solids; strong Bronsted acidity could be formed on the solid with high zirconium content.

  5. Synthesis and modification of mesoporous silica and the preparation of molecular sieve thin films via pulsed laser deposition

    Science.gov (United States)

    Coutinho, Decio Heringer

    2001-07-01

    describes the evaluation of the HISIV(TM) 1000 molecular sieve for TBC adsorption. The TBC equilibrium capacity was determined from a cyclohexane/TBC liquid mixture and was comparable to alumina adsorbents. Practicum One. A fluorescent diagnostic system was developed to image the inhomogeneous mixture formed as two miscible fluids mix. This diagnostic for the mixing fraction uses a commercially available CCD color camera, a polarity sensitive fluorescent probe (DCM), and the planar laser induced fluorescence (PLIF) imaging technique to track the mixing of two miscible fluids of different polarity (ethanol and decane). The DCM fluorescence spectrum shifts to the red with increasing polarity, and the CCD camera's red, green, and blue color channels serve as spectral filters for the probe's fluorescence.

  6. Evaluation of INL Supplied MOOSE/OSPREY Model: Modeling Water Adsorption on Type 3A Molecular Sieve

    Energy Technology Data Exchange (ETDEWEB)

    Pompilio, L. M. [Syracuse University; DePaoli, D. W. [ORNL; Spencer, B. B. [ORNL

    2014-08-29

    The purpose of this study was to evaluate Idaho National Lab’s Multiphysics Object-Oriented Simulation Environment (MOOSE) software in modeling the adsorption of water onto type 3A molecular sieve (3AMS). MOOSE can be thought-of as a computing framework within which applications modeling specific coupled-phenomena can be developed and run. The application titled Off-gas SeParation and REcoverY (OSPREY) has been developed to model gas sorption in packed columns. The sorbate breakthrough curve calculated by MOOSE/OSPREY was compared to results previously obtained in the deep bed hydration tests conducted at Oak Ridge National Laboratory. The coding framework permits selection of various options, when they exist, for modeling a process. For example, the OSPREY module includes options to model the adsorption equilibrium with a Langmuir model or a generalized statistical thermodynamic adsorption (GSTA) model. The vapor solid equilibria and the operating conditions of the process (e.g., gas phase concentration) are required to calculate the concentration gradient driving the mass transfer between phases. Both the Langmuir and GSTA models were tested in this evaluation. Input variables were either known from experimental conditions, or were available (e.g., density) or were estimated (e.g., thermal conductivity of sorbent) from the literature. Variables were considered independent of time, i.e., rather than having a mass transfer coefficient that varied with time or position in the bed, the parameter was set to remain constant. The calculated results did not coincide with data from laboratory tests. The model accurately estimated the number of bed volumes processed for the given operating parameters, but breakthrough times were not accurately predicted, varying 50% or more from the data. The shape of the breakthrough curves also differed from the experimental data, indicating a much wider sorption band. Model modifications are needed to improve its utility and

  7. Synthesis and Structural Characterization of a CHA-type AlPO4 Molecular Sieve with Penta-Coordinated Framework Aluminum Atoms.

    Science.gov (United States)

    Park, Gi Tae; Jo, Donghui; Ahn, Nak Ho; Cho, Jung; Hong, Suk Bong

    2017-07-17

    The structure-directing effects of a series of polymethylimidazolium cations with different numbers of methyl groups as organic structure-directing agents (OSDAs) in the synthesis of aluminophosphate (AlPO4)-based molecular sieves in both fluoride and hydroxide media are investigated. On the one hand, among the OSDAs studied here, the smallest 1,3-dimethylimidazolium and the largest 1,2,3,4,5-pentamethylimidazolium cations were found to direct the synthesis of a new variant of the triclinic chabazite (CHA)-type AlPO4 material, designated AlPO4-34(t)(V), and the one-dimensional small-pore silicoaluminophosphate (SAPO) molecular sieve STA-6 in hydroxide media, respectively. On the other hand, the intermediate-sized 1,2,3,4-tetramethylimidazolium cation gave SSZ-51, a two-dimensional large-pore SAPO material, in fluoride media. Synchrotron powder X-ray diffraction and Rietveld analyses reveal that as-made AlPO4-34(t)(V) contains penta-coordinated framework Al species connected by hydroxyl groups, as well as tetrahedral framework Al, which contrasts with the distortions arising from the two F(-) or OH(-) bridges between octahedral Al atoms in all already known AlPO4-34 materials. The presence of Al-OH-Al linkages in this triclinic AlPO4-34 molecular sieve has been further corroborated by thermal analysis, variable-temperature IR,27Al magic-angle spinning NMR, and dispersion-corrected density functional theory calculations.

  8. Single crystalline La0.7Sr0.3MnO3 molecular sieve nanowires with high temperature ferromagnetism.

    Science.gov (United States)

    Carretero-Genevrier, Adrián; Gázquez, Jaume; Idrobo, Juan Carlos; Oró, Judith; Arbiol, Jordi; Varela, María; Ferain, Etienne; Rodríguez-Carvajal, Juan; Puig, Teresa; Mestres, Narcís; Obradors, Xavier

    2011-03-23

    Porous mixed-valent manganese oxides are a group of multifunctional materials that can be used as molecular sieves, catalysts, battery materials, and gas sensors. However, material properties and thus activity can vary significantly with different synthesis methods or process conditions, such as temperature and time. Here, we report on a new synthesis route for MnO(2) and LaSr-doped molecular sieve single crystalline nanowires based on a solution chemistry methodology combined with the use of nanoporous polymer templates supported on top of single crystalline substrates. Because of the confined nucleation in high aspect ratio nanopores and of the high temperatures attained, new structures with novel physical properties have been produced. During the calcination process, the nucleation and crystallization of ε-MnO(2) nanoparticles with a new hexagonal structure is promoted. These nanoparticles generated up to 30 μm long and flexible hexagonal nanowires at mild growth temperatures (T(g) = 700 °C) as a consequence of the large crystallographic anisotropy of ε-MnO(2). The nanocrystallites of MnO(2) formed at low temperatures serve as seeds for the growth of La(0.7)Sr(0.3)MnO(3) nanowires at growth temperatures above 800 °C, through the diffusion of La and Sr into the empty 1D-channels of ε-MnO(2). Our particular growth method has allowed the synthesis of single crystalline molecular sieve (LaSr-2 × 4) monoclinic nanowires with composition La(0.7)Sr(0.3)MnO(3) and with ordered arrangement of La(3+) and Sr(2+) cations inside the 1D-channels. These nanowires exhibit ferromagnetic ordering with strongly enhanced Curie temperature (T(c) > 500 K) that probably results from the new crystallographic order and from the mixed valence of manganese.

  9. Carbon Nanotubes: Molecular Electronic Components

    Science.gov (United States)

    Srivastava, Deepak; Saini, Subhash; Menon, Madhu

    1997-01-01

    The carbon Nanotube junctions have recently emerged as excellent candidates for use as the building blocks in the formation of nanoscale molecular electronic networks. While the simple joint of two dissimilar tubes can be generated by the introduction of a pair of heptagon-pentagon defects in an otherwise perfect hexagonal graphene sheet, more complex joints require other mechanisms. In this work we explore structural characteristics of complex 3-point junctions of carbon nanotubes using a generalized tight-binding molecular-dynamics scheme. The study of pi-electron local densities of states (LDOS) of these junctions reveal many interesting features, most prominent among them being the defect-induced states in the gap.

  10. Efficient Improving the Activity and Enantioselectivity of Candida rugosa Lipase for the Resolution of Naproxen by Enzyme Immobilization on MCM-41 Mesoporous Molecular Sieve

    Directory of Open Access Journals (Sweden)

    Ying Chen

    2015-09-01

    Full Text Available Lipase from Candida rogusa was immobilized on MCM-41 mesoporous molecular sieves in a trapped aqueous-organic biphase system for the resolution of racemic naproxen methyl ester. It was interesting that the activity and enantioselectivity of the immobilized lipase were improved significantly relative to the free enzyme. The proportion of water (ml/support (g has a dramatic influence on the activity and enantioselectivity of lipase immobilized onto MCM-41 molecular sieves. It was also found that the activity of immobilized lipase was more sensitive to pH value and temperature than the free one. Higher pH value will increase the activity but decrease the enantioselectivity of the immobilized lipase. The enantioselectivity of the immobilized lipase was not altered significantly within the range of tested temperature. The immobilized lipase can be reused for at least 8 batches without significant lose of activity with the aid of methanotrophic bacteria to eliminate the methanol produced during the resolution process.

  11. Application of a molecular sieve in the drying of solid insulation in energized power transformers; Aplicacao de peneira molecular na secagem da isolacao solida em transformadores de potencia energizados

    Energy Technology Data Exchange (ETDEWEB)

    Mello, Julio C.P.; Silva, Carlos A. [Eletropaulo Metropolitana e Eletricidade de Sao Paulo S.A. (AES ELETROPAULO), SP (Brazil)], E-mails: julio.pereira@aes.com, carlos.alves@aes.com; Wilhelm, Helena M.; Mattoso, Mauricio; Piovezan, Natalia; Fernandes, Paulo O. [DIAGNO - Materiais e Meio Ambiente Ltda (Brazil)], E-mails: mattoso@diagno.srv.br, natalia@diagno.srv.br, fernandes@diagno.srv.br; Hossri, Jose Henrique C. [Universidade de Sao Paulo (IEE/USP), SP (Brazil). Instituto de Eletrotecnica e Energia], E-mail: henrique.hossri@iee.usp.br; Galdeano, Claudio A.; Silva Junior, Milton M. [MGM - Consultoria e Diagnosticos em Equipamentos Eletricos Ltda, Campinas, SP (Brazil)], E-mails: laudio@mgmdiag.com.br, junior@mgmdiag.com.br

    2011-10-15

    The main objective of this study was to assess a new adsorbent material to remove water from insulating mineral oil (IMO) in transformers during operation (while energized). A process for recovery of the adsorbent material, aiming at its reuse was also tested. The results indicated that it is possible to remove water from IMO in energized transformers safely and with remote online monitoring, using a molecular sieve, recyclable by steam washing. (author)

  12. Sieving of H2 and D2 Through End-to-End Nanotubes

    Science.gov (United States)

    Devagnik, Dasgupta; Debra, J. Searles; Lamberto, Rondoni; Stefano, Bernardi

    2014-10-01

    We study the quantum molecular sieving of H2 and D2 through two nanotubes placed end-to-end. An analytic treatment, assuming that the particles have classical motion along the axis of the nanotube and are confined in a potential well in the radial direction, is considered. Using this idealistic model, and under certain conditions, it is found that this device can act as a complete sieve, allowing chemically pure deuterium to be isolated from an isotope mixture. We also consider a more realistic model of two carbon nanotubes and carry out molecular dynamics simulations using a Feynman—Hibbs potential to model the quantum effects on the dynamics of H2 and D2. Sieving is also observed in this case, but is caused by a different process.

  13. Two emissive-magnetic composite platforms for Hg(II) sensing and removal: The combination of magnetic core, silica molecular sieve and rhodamine chemosensors.

    Science.gov (United States)

    Mao, Hanping; Liu, Zhongshou

    2018-01-15

    In this paper, a composite sensing platform for Hg(II) optical sensing and removal was designed and reported. A core-shell structure was adopted, using magnetic Fe3O4 nanoparticles as the core, silica molecular sieve MCM-41 as the shell, respectively. Two rhodamine derivatives were synthesized as chemosensor and covalently immobilized into MCM-41 tunnels. Corresponding composite samples were characterized with SEM/TEM images, XRD analysis, IR spectra, thermogravimetry and N2 adsorption/desorption analysis, which confirmed their core-shell structure. Their emission was increased by Hg(II), showing emission turn on effect. High selectivity, linear working curves and recyclability were obtained from these composite samples. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Tetrahedral connection of ε-Keggin-type polyoxometalates to form an all-inorganic octahedral molecular sieve with an intrinsic 3D pore system.

    Science.gov (United States)

    Zhang, Zhenxin; Sadakane, Masahiro; Murayama, Toru; Izumi, Shoko; Yasuda, Nobuhiro; Sakaguchi, Norihito; Ueda, Wataru

    2014-01-21

    A new type of polyoxometalate-based porous material was successfully synthesized. The new material is the first fully inorganic Keggin-type polyoxometalate-based microporous material with intrinsically ordered open micropores and is the third member of the small family of octahedral molecular sieves (OMSs). Twelve MoO6 or VO6 octahedra surround a central VO4 tetrahedron to form ε-Keggin polyoxometalate building blocks (ε-VMo9.4V2.6O40) that are linked by Bi(III) ions to form crystalline Mo-V-Bi oxide with a diamondoid topology. The presence of a tetrahedral shape of the ε-Keggin polyoxometalate building block results in arrangement of microporosity in a tetrahedral fashion which is new in OMSs. Owing to its microporosity, this Mo-V-Bi oxide shows zeolitic-like properties such as ion-exchange and molecule adsorption.

  15. Dual-Channel, Molecular-Sieving Core/Shell ZIF@MOF Architectures as Engineered Fillers in Hybrid Membranes for Highly Selective CO2Separation.

    Science.gov (United States)

    Song, Zhuonan; Qiu, Fen; Zaia, Edmond W; Wang, Zhongying; Kunz, Martin; Guo, Jinghua; Brady, Michael; Mi, Baoxia; Urban, Jeffrey J

    2017-11-08

    A novel core/shell porous crystalline structure was prepared using a large pore metal organic framework (MOF, UiO-66-NH 2 , pore size, ∼ 0.6 nm) as core surrounded by a small pore zeolitic imidazolate framework (ZIF, ZIF-8, pore size, ∼ 0.4 nm) through a layer-by-layer deposition method and subsequently used as an engineered filler to construct hybrid polysulfone (PSF) membranes for CO 2 capture. Compared to traditional fillers utilizing only one type of porous material with rigid channels (either large or small), our custom designed core/shell fillers possess clear advantages via pore engineering: the large internal channels of the UiO-66-NH 2 MOFs create molecular highways to accelerate molecular transport through the membrane, while the thin shells with small pores (ZIF-8) or even smaller pores generated at the interface by the imperfect registry between the overlapping pores of ZIF and MOF enhance molecular sieving thus serving to distinguish slightly larger N 2 molecules (kinetic diameter, 0.364 nm) from smaller CO 2 molecules (kinetic diameter, 0.33 nm). The resultant core/shell ZIF@MOF and as-prepared hybrid PSF membranes were characterized by transmission electron microscopy, X-ray diffraction, wide-angle X-ray scattering, scanning electron microscopy, Fourier transform infrared, thermogravimetric analysis, differential scanning calorimetry, and contact angle tests. The dependence of the separation performance of the membranes on the MOF/ZIF ratio was also studied by varying the number of layers of ZIF coatings. The integrated PSF-ZIF@MOF hybrid membrane (40 wt % loading) with optimized ZIF coating cycles showed improved hydrophobicity and excellent CO 2 separation performance by simultaneously increasing CO 2 permeability (CO 2 permeability of 45.2 barrer, 710% higher than PSF membrane) and CO 2 /N 2 selectivity (CO 2 /N 2 selectivity of 39, 50% higher than PSF membrane), which is superior to most reported hybrid PSF membranes. The strategy of using

  16. Carbon membranes: Precursor, preparation, and functionalization

    NARCIS (Netherlands)

    Barsema, J.N.

    2004-01-01

    In this thesis we study the preparation of Carbon Molecular Sieve (CMS) membranes for the separation of gases. The gases are separated based on their size difference and affinity for the membrane material.

  17. Study of physical chemical properties of nanostructured carbon sorbent for cleanup of biomolecules

    Directory of Open Access Journals (Sweden)

    Almagul Kerimkulova

    2012-03-01

    Full Text Available The technology of nanostructured carbon sorbent. Optimized the conditions of carbonization of plant material and studied the basic structural and physicochemical properties of the sorbent. Studied the molecular-sieve and adsorption characteristics of the sorbent.

  18. Sodium sieving in children.

    NARCIS (Netherlands)

    Rusthoven, E.; Krediet, R.T.; Willems, H.L.; Monnens, L.A.H.; Schroder, C.H.

    2005-01-01

    Sodium sieving is a consequence of dissociation between the amount of water and sodium transported over the peritoneal membrane. This dissociation occurs in the presence of aquaporin-mediated water transport. Sieving of sodium can be used as a rough measure for aquaporin-mediated water transport.

  19. Sodium sieving in children

    NARCIS (Netherlands)

    Rusthoven, Esther; Krediet, Raymond T.; Willems, Hans L.; Monnens, Leo A.; Schröder, Cornelis H.

    2005-01-01

    Sodium sieving is a consequence of dissociation between the amount of water and sodium transported over the peritoneal membrane. This dissociation occurs in the presence of aquaporin-mediated water transport. Sieving of sodium can be used as a rough measure for aquaporin-mediated water transport.

  20. Massively parallel mathematical sieves

    Energy Technology Data Exchange (ETDEWEB)

    Montry, G.R.

    1989-01-01

    The Sieve of Eratosthenes is a well-known algorithm for finding all prime numbers in a given subset of integers. A parallel version of the Sieve is described that produces computational speedups over 800 on a hypercube with 1,024 processing elements for problems of fixed size. Computational speedups as high as 980 are achieved when the problem size per processor is fixed. The method of parallelization generalizes to other sieves and will be efficient on any ensemble architecture. We investigate two highly parallel sieves using scattered decomposition and compare their performance on a hypercube multiprocessor. A comparison of different parallelization techniques for the sieve illustrates the trade-offs necessary in the design and implementation of massively parallel algorithms for large ensemble computers.

  1. Short-range interactions between surfactants, silica species and EDTA⁴- salt during self-assembly of siliceous mesoporous molecular sieve: a UV Raman study.

    Science.gov (United States)

    Song, Jiayin; Liu, Liping; Li, Peng; Xiong, Guang

    2012-11-01

    The effects of surfactants, counterions and additive salts on the formation of siliceous mesoporous molecular sieves during self-assembly process were investigated by UV Raman spectroscopy, X-ray diffraction (XRD) and transmission electron microscopy (TEM) techniques. The surfactant molecules experience the rearrangement after adding the silica species and adjusting the pH value. The obvious change of the Raman bands related to the surfactants supports a cooperative interaction between surfactant and inorganic species during self-assembly process. The addition of EDTANa(4) to the system induces the interaction between the COO(-) groups of EDTA(4-) and silanol groups of silica and a strong interaction between the EDTA(4-) and the N(+)(CH(3))(3) groups of the surfactant. The above interactions may be the main reason for the salt effect. The new information from the change of the chemical bonds allows for a further analysis to the interactions of different salts between surfactants and silica species at molecular level. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. The Effect of Operating Conditions on Drying Characteristics and Quality of Ginger (Zingiber Officinale Roscoe) Using Combination of Solar Energy-Molecular Sieve Drying System

    Science.gov (United States)

    Hasibuan, R.; Zamzami, M. A.

    2017-03-01

    Ginger (Zingiber officinale Roscoe) is an agricultural product that can be used as beverages and snacks, and especially for traditional medicines. One of the important stages in the processing of ginger is drying. The drying process intended to reduce the water content of 85-90% to 8-10%, making it safe from the influence of fungi or insecticide. During the drying takes place, the main ingredient contained in ginger is homologous ketone phenolic known as gingerol are chemically unstable at high temperatures, for the drying technology is an important factor in maintaining the active ingredient (gingerol) which is in ginger. The combination of solar energy and molecular sieve dryer that are used in the research is capable of operating 24 hours. The purpose of this research is to study the effect of operating conditions (in this case the air velocity) toward the drying characteristics and the quality of dried ginger using the combination of solar energy and molecular sieve dryer. Drying system consist of three main parts which is: desiccator, solar collector, and the drying chamber. To record data changes in the mass of the sample, a load cell mounted in the drying chamber, and then connected to the automated data recording system using a USB data cable. All data of temperature and RH inside the dryer box and the change of samples mass recorded during the drying process takes place and the result is stored in the form of Microsoft Excel. The results obtained, shows that the air velocity is influencing the moisture content and ginger drying rate, where the moisture content equilibrium of ginger for the air velocity of 1.3 m/s was obtained on drying time of 360 minutes and moisture content of 2.8%, at 1.0 m/s was obtained on drying time of 300 minutes and moisture content of 1.4%, at 0, 8 m/s was obtained at 420 minutes drying time and the moisture content is 2.0%. The drying characteristics shows that there are two drying periods, which is: the increasing drying rate

  3. Crosslinkable mixed matrix membranes with surface modified molecular sieves for natural gas purification: II. Performance characterization under contaminated feed conditions

    KAUST Repository

    Ward, Jason K.

    2011-07-01

    Mixed matrix membranes (MMMs) composed of the crosslinkable polyimide PDMC and surface modified (SM) SSZ-13 have recently been shown to enhance carbon dioxide permeability and carbon dioxide/methane selectivity versus neat PDMC films by as much as 47% and 13%, respectively (Part I). The previous film characterization, however, was performed using ideal, clean mixed gas feeds. In this paper, PDMC/SSZ-13 MMMs are further characterized using more realistic mixed gases containing low concentrations (500 or 1000. ppm) of toluene as a model contaminant. Mixed matrix membranes are shown to outperform pure PDMC films in the presence of toluene with 43% greater carbon dioxide permeability and 12% greater carbon dioxide/selectivity at 35 °C and 700 psia feed pressure. These results suggest that MMMs-in addition to exhibiting enhanced transport properties-may mitigate performance degradation due to antiplasticization effects. Moreover, the analyses presented here show that the reduction in separation performance by trace contaminant-accelerated physical aging can be suppressed greatly with MMMs. © 2011 Elsevier B.V.

  4. Synthesis and application of mesoporous molecular sieve for miniaturized matrix solid-phase dispersion extraction of bioactive flavonoids from toothpaste, plant, and saliva.

    Science.gov (United States)

    Cao, Wan; Cao, Jun; Ye, Li-Hong; Xu, Jing-Jing; Hu, Shuai-Shuai; Peng, Li-Qing

    2015-12-01

    This article describes the use of the mesoporous molecular sieve KIT-6 as a sorbent in miniaturized matrix solid-phase dispersion (MSPD) in combination with ultra-performance LC for the determination of bioactive flavonoids in toothpaste, Scutellariae Radix, and saliva. In this study, for the first time, KIT-6 was used as a sorbent material for this mode of extraction. Compared with common silica-based sorbents (C18 and activated silica gel), the proposed KIT-6 dispersant with a three-dimensional cubic Ia3d structure and highly ordered arrays of mesoporous channels exhibits excellent adsorption capability of the tested compounds. In addition, several experimental variables, such as the mass ratio of sample to dispersant, grinding time, and elution solvent, were optimized to maximize the extraction efficiency. The proposed analytical method is simple, fast, and entails low consumption of samples, dispersants and elution solvents, thereby meeting "green chemistry" requirements. Under the optimized conditions, the recoveries of three bioactive flavonoids obtained by analyzing the spiked samples were from 89.22 to 101.17%. Also, the LODs and LOQs for determining the analytes were in the range of 0.02-0.04 μg/mL and 0.07-0.13 μg/mL, respectively. Finally, the miniaturized matrix solid-phase dispersion method was successfully applied to the analysis of target solutes in real samples, and satisfactory results were obtained. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Trace matrix solid phase dispersion using a molecular sieve as the sorbent for the determination of flavonoids in fruit peels by ultra-performance liquid chromatography.

    Science.gov (United States)

    Cao, Wan; Hu, Shuai-Shuai; Ye, Li-Hong; Cao, Jun; Pang, Xiao-Qing; Xu, Jing-Jing

    2016-01-01

    A simple, rapid, and highly selective trace matrix solid phase dispersion (MSPD) technique, coupled with ultra-performance liquid chromatography-ultraviolet detection, was proposed for extracting flavonoids from orange fruit peel matrices. Molecular sieve SBA-15 was applied for the first time as a solid support in trace MSPD. Parameters, such as the type of dispersant, mass ratio of the sample to the dispersant, grinding time, and elution pH, were optimized in detail. The optimal extraction conditions involved dispersing a powdered fruit peel sample (25 mg) into 25mg of SBA-15 and then eluting the target analytes with 500 μL of methanol. A satisfactory linearity (r(2) > 0.9990) was obtained, and the calculated limits of detection reached 0.02-0.03 μg/mL for the compounds. The results showed that the method developed was successfully applied to determine the content of flavonoids in complex fruit peel matrices. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. An ultrasonic atomization assisted synthesis of self-assembled manganese oxide octahedral molecular sieve nanostructures and their application in catalysis and water treatment.

    Science.gov (United States)

    Iyer, Aparna; Kuo, Chung-Hao; Dharmarathna, Saminda; Luo, Zhu; Rathnayake, Dinithi; He, Junkai; Suib, Steven L

    2017-04-13

    Manganese oxides of octahedral molecular sieve (OMS-2) type have important applications in oxidation catalysis, adsorption, and as battery materials. The synthesis methods employed determine their morphology and textural properties which markedly affect their catalytic activity. In this work, a room temperature ultrasonic atomization assisted synthesis of OMS-2 type materials is demonstrated. This synthesis differs from previously reported methods in that it is a simple, no-heat application that leads to a striking morphological characteristic of uniformly sized OMS-2 fibers and their self-assembly into dense as well as hollow spheres. Control of various parameters in the ultrasonic atomization assisted synthesis led to OMS-2 with high surface areas (between 136-160 m(2) g(-1)) and mesoporosity. Catalytically these materials have higher activities in the oxidation of hydroxymethylfurfural (HMF), a bio-based chemical, (65% conversion of HMF vs. 14% with conventional OMS-2 catalyst) and a higher adsorption of lead from aqueous solutions (70% vs. 12% in conventional OMS-2 materials).

  7. Physical chemistry of nanostructured molecular sieves by the study of phase diagrams: the case of the cetyltrimethylammonium bromide-tetramethylammonium silicate-water system.

    Science.gov (United States)

    Albuquerque, A; Vautier-Giongo, C; Pastore, H O

    2005-04-15

    A phase diagram for the system cetyltrimethylammonium bromide (CTAB)/tetramethylammonium silicate (TMASi)/water has been constructed in order to better understand the interactions between these precursors of the MCM-41 mesoporous molecular sieves. Three different CTAB concentration regions were analyzed: the dilute and semidilute regions, where simple surfactant species, such as monomers and spherical and nonspherical CTAB micelles, are found, and the concentrated region, involving liquid-crystalline phases. In the dilute and semidilute regions, the formation of a white nanostructured solid, having a hexagonal array similar to that found in MCM-41 materials, was observed. Precipitation of this solid requires some degree of surfactant monomer aggregation, which is favored by the presence of silicate anions. If micelles have already been formed, the material can be obtained at any CTAB concentration above a threshold concentration of silicate anions. These facts suggest that silicate anions have an important role in changing the aggregation and/or the shape of the surfactant aggregates. In the concentrated region, precipitation of the solid was not observed, but the presence of the silicate anions alter the characteristics of the liquid-crystalline phase formed by the surfactant. The system shows very complex and rich behavior and its investigation may be very useful in understanding the processes of nanostructured solid formation.

  8. Micro-matrix solid-phase dispersion coupled with MEEKC for quantitative analysis of lignans in Schisandrae Chinensis Fructus using molecular sieve TS-1 as a sorbent.

    Science.gov (United States)

    Chu, Chu; Wei, Mengmeng; Wang, Shan; Zheng, Liqiong; He, Zheng; Cao, Jun; Yan, Jizhong

    2017-09-15

    A simple and effective method was developed for determining lignans in Schisandrae Chinensis Fructus by using a micro-matrix solid phase dispersion (MSPD) technique coupled with microemulsion electrokinetic chromatography (MEEKC). Molecular sieve, TS-1, was applied as a solid supporting material in micro MSPD extraction for the first time. Parameters that affect extraction efficiency, such as type of dispersant, mass ratio of the sample to the dispersant, grinding time, elution solvent and volume were optimized. The optimal extraction conditions involve dispersing 25mg of powdered Schisandrae samples with 50mg of TS-1 by a mortar and pestle. A grinding time of 150s was adopted. The blend was then transferred to a solid-phase extraction cartridge and the target analytes were eluted with 500μL of methanol. Moreover, several parameters affecting MEEKC separation were studied, including the type of oil, SDS concentration, type and concentration of cosurfactant, and concentration of organic modifier. A satisfactory linearity (R>0.9998) was obtained, and the calculated limits of quantitation were less than 2.77μg/mL. Finally, the micro MSPD-MEEKC method was successfully applied to the analysis of lignans in complex Schisandrae fructus samples. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Carbon Isotope Chemistry in Molecular Clouds

    Science.gov (United States)

    Robertson, Amy N.; Willacy, Karen

    2012-01-01

    Few details of carbon isotope chemistry are known, especially the chemical processes that occur in astronomical environments like molecular clouds. Observational evidence shows that the C-12/C-13 abundance ratios vary due to the location of the C-13 atom within the molecular structure. The different abundances are a result of the diverse formation pathways that can occur. Modeling can be used to explore the production pathways of carbon molecules in an effort to understand and explain the chemical evolution of molecular clouds.

  10. Dynamical Sieve of Eratosthenes

    OpenAIRE

    Mateos, Luis A.

    2012-01-01

    In this document, prime numbers are related as functions over time, mimicking the Sieve of Eratosthenes. For this purpose, the mathematical representation is a uni-dimentional time line depicting the number line for positive natural numbers N, where each number n represents a time t. In the same way as the Eratosthenes' sieve, which iteratively mark as composite the multiples of each prime, starting at each prime. This dynamical prime number function P(s) zero-cross all composite numbers depa...

  11. Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand

    Directory of Open Access Journals (Sweden)

    Dai Oyama

    2013-12-01

    Full Text Available It is extremely important for synthetic chemists to control the structure of new compounds. We have constructed ruthenium-based mononuclear complexes with the tridentate 2,6-di(1,8-naphthyridin-2-ylpyridine (dnp ligand to investigate a new synthetic approach using a specific coordination space. The synthesis of a family of new ruthenium complexes containing both the dnp and triphenylphosphine (PPh3 ligands, [Ru(dnp(PPh3(X(L]n+ (X = PPh3, NO2−, Cl−, Br−; L = OH2, CH3CN, C6H5CN, SCN−, has been described. All complexes have been spectroscopically characterized in solution, and the nitrile complexes have also been characterized in the solid state through single-crystal X-ray diffraction analysis. Dnp in the present complex system behaves like a “molecular sieve” in ligand replacement reactions. Both experimental data and density functional theory (DFT calculations suggest that dnp plays a crucial role in the selectivity observed in this study. The results provide useful information toward elucidating this facile and selective synthetic approach to new transition metal complexes.

  12. HZSM-5/MCM-41 composite molecular sieves for the catalytic cracking of endothermic hydrocarbon fuels: nano-ZSM-5 zeolites as the source

    Energy Technology Data Exchange (ETDEWEB)

    Sang, Yu; Jiao, Qingze; Li, Hansheng, E-mail: hanshengli@bit.edu.cn; Wu, Qin; Zhao, Yun; Sun, Kening, E-mail: sunkn@bit.edu.cn [Beijing Institute of Technology, School of Chemical Engineering and the Environment (China)

    2014-12-15

    A series of HZSM-5/MCM-41 composite molecular sieves (HZM-Ns (x)) were prepared by employing nano-ZSM-5 zeolites with the SiO{sub 2}/Al{sub 2}O{sub 3} ratios (x) of 50, 100 and 150 as the source. These materials were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, transmission electron microscopy, N{sub 2} adsorption–desorption measurement, and NH{sub 3} temperature-programmed desorption. The catalytic cracking of endothermic hydrocarbon fuels over the HZM-Ns with n-decane as model was evaluated at atmospheric pressure and 500 °C. The effect of the parent zeolite, mesopore and SiO{sub 2}/Al{sub 2}O{sub 3} ratio on the structure, acidity, and catalytic performance of HZM-Ns was investigated. The HZM-Ns exhibited a skeletal matrix with nano-sized HZSM-5 particles (200–300 nm) with a controllable acidity well dispersed in and microporous–mesoporous hierarchical pores. The mesoporous structure improved the diffusion of the reactants and products in the pores, and the HZSM-5 nanoparticles uniformly dispersed in the MCM-41 matrix supplied a proper acidity, shorter channels, and a higher specific surface area for reaction. These resulted in a high catalytic activity, a high selectivity to light olefins and a long lifetime for n-decane catalytic cracking. The HZM-N (150) exhibited the excellent conversion, a high selectivity to light olefins and a long lifetime due to low diffusion resistance, high specific surface area, and appropriate acid distribution and strength, with the increasing SiO{sub 2}/Al{sub 2}O{sub 3} ratio.

  13. HZSM-5/MCM-41 composite molecular sieves for the catalytic cracking of endothermic hydrocarbon fuels: nano-ZSM-5 zeolites as the source

    Science.gov (United States)

    Sang, Yu; Jiao, Qingze; Li, Hansheng; Wu, Qin; Zhao, Yun; Sun, Kening

    2014-12-01

    A series of HZSM-5/MCM-41 composite molecular sieves (HZM-Ns ( x)) were prepared by employing nano-ZSM-5 zeolites with the SiO2/Al2O3 ratios ( x) of 50, 100 and 150 as the source. These materials were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, transmission electron microscopy, N2 adsorption-desorption measurement, and NH3 temperature-programmed desorption. The catalytic cracking of endothermic hydrocarbon fuels over the HZM-Ns with n-decane as model was evaluated at atmospheric pressure and 500 °C. The effect of the parent zeolite, mesopore and SiO2/Al2O3 ratio on the structure, acidity, and catalytic performance of HZM-Ns was investigated. The HZM-Ns exhibited a skeletal matrix with nano-sized HZSM-5 particles (200-300 nm) with a controllable acidity well dispersed in and microporous-mesoporous hierarchical pores. The mesoporous structure improved the diffusion of the reactants and products in the pores, and the HZSM-5 nanoparticles uniformly dispersed in the MCM-41 matrix supplied a proper acidity, shorter channels, and a higher specific surface area for reaction. These resulted in a high catalytic activity, a high selectivity to light olefins and a long lifetime for n-decane catalytic cracking. The HZM-N (150) exhibited the excellent conversion, a high selectivity to light olefins and a long lifetime due to low diffusion resistance, high specific surface area, and appropriate acid distribution and strength, with the increasing SiO2/Al2O3 ratio.

  14. Nanotechnology for membranes, filters and sieves

    NARCIS (Netherlands)

    Eijkel, Jan C.T.; van den Berg, Albert

    2006-01-01

    This mini-review is dedicated to the use of nanotechnology for membranes, filters and sieves. With the advent of nanotechnology researchers have acquired an unprecedented freedom to sculpt device geometry almost down to the molecular scale. Such structures can now replace the gels, membranes and

  15. Research on Molecular Sieve Technology.

    Science.gov (United States)

    Shah, Dhananjai B.; Hayhurst, David T.

    1985-01-01

    The zeolite synthesis and modification research program at Cleveland State University (Ohio) is described, including program philosophy and objectives, and research facilities. Also considers zeolite synthesis, adsorption on zeolites, kinetics of adsorption, and zeolite catalysis research. (JN)

  16. Molecular Selectivity of Brown Carbon Chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Laskin, Alexander; Nizkorodov, Sergey; Roach, Patrick J.; Eckert, Peter A.; Gilles, Mary K.; Wang, Bingbing; Lee, Hyun Ji; Hu, Qichi

    2014-10-21

    Complementary methods of high-resolution mass spectrometry and micro-spectroscopy were utilized for molecular analysis of secondary organic aerosol (SOA) generated from ozonolysis of two structural monoterpene isomers: D-limonene (LSOA) and a-pinene (PSOA). Laboratory simulated aging of LSOA and PSOA, through conversion of carbonyls into imines mediated by NH3 vapors in humid air, resulted in selective browning of the LSOA sample, while the PSOA sample remained white. Comparative analysis of the reaction products in the aged LSOA and PSOA samples provided insights into chemistry relevant to formation of brown carbon chromophores. A significant fraction of carbonyl-imine conversion products with identical molecular formulas were detected in both samples. This reflects the high level of similarity in the molecular composition of these two closely related SOA materials. Several highly conjugated products were detected exclusively in the brown LSOA sample and were identified as potential chromophores responsible for the observed color change. The majority of the unique products in the aged LSOA sample with the highest number of double bonds contain two nitrogen atoms. We conclude that chromophores characteristic of the carbonyl- imine chemistry in LSOA are highly conjugated oligomers of secondary imines (Schiff bases) present at relatively low concentrations. Formation of this type of conjugated compounds in PSOA is hindered by the structural rigidity of the a-pinene oxidation products. Our results suggest that the overall light-absorbing properties of SOA may be determined by trace amounts of strong brown carbon chromophores.

  17. Fracture of Carbon Nanotube - Amorphous Carbon Composites: Molecular Modeling

    Science.gov (United States)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    Carbon nanotubes (CNTs) are promising candidates for use as reinforcements in next generation structural composite materials because of their extremely high specific stiffness and strength. They cannot, however, be viewed as simple replacements for carbon fibers because there are key differences between these materials in areas such as handling, processing, and matrix design. It is impossible to know for certain that CNT composites will represent a significant advance over carbon fiber composites before these various factors have been optimized, which is an extremely costly and time intensive process. This work attempts to place an upper bound on CNT composite mechanical properties by performing molecular dynamics simulations on idealized model systems with a reactive forcefield that permits modeling of both elastic deformations and fracture. Amorphous carbon (AC) was chosen for the matrix material in this work because of its structural simplicity and physical compatibility with the CNT fillers. It is also much stiffer and stronger than typical engineering polymer matrices. Three different arrangements of CNTs in the simulation cell have been investigated: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. The SWNT and MWNT array systems are clearly idealizations, but the SWNT bundle system is a step closer to real systems in which individual tubes aggregate into large assemblies. The effect of chemical crosslinking on composite properties is modeled by adding bonds between the CNTs and AC. The balance between weakening the CNTs and improving fiber-matrix load transfer is explored by systematically varying the extent of crosslinking. It is, of course, impossible to capture the full range of deformation and fracture processes that occur in real materials with even the largest atomistic molecular dynamics simulations. With this limitation in mind, the simulation results reported here provide a plausible upper limit on

  18. Lattice sieving and trial division

    OpenAIRE

    Golliver, R. A.; Lenstra, Arjen K.; McCurley, K. S.

    1994-01-01

    Reports on work in progress on our new implementation of the relation collection stage of the general number field sieve integer factoring algorithm. Our experiments indicate that we have achieved a substantial speed-up compared to other implementations that are reported in the literature. The main improvements are a new lattice sieving technique and a trial division method that is based on lattice sieving in a hash table. This also allows us to collect triple and quadruple large prime relati...

  19. Molecular simulation for novel carbon buckyball materials

    Directory of Open Access Journals (Sweden)

    Hasan R. Obayes

    2015-12-01

    Full Text Available The discovery of buckyballs was unexpected because the researchers were delivering carbon plasmas to reproduce and describe unidentified interstellar matter. Density functional theory was done to study and design the structure of [8]circulene and three new buckyballs with molecular dimensions of less than a nanometer. Cyclic polymerization reactions can be utilized to prepare new buckyballs, and this process also produces molecules of hydrogen. All reactions are spontaneous and exothermic as per the estimations to the values of entropy, Gibbs energy, and enthalpy changes. The results demonstrate that the most symmetric buckyball is the most stable, and the molecular dimensions are less than a nanometer. The new buckyballs are characterized by the high efficiency of their energy gaps, making it potentially useful for solar cell applications.

  20. Thermal synthesis of oxide molecular sieve and Mn (K-OMS-2) from K-birnessite obtained from Sol-gel method; Sintese termal de peneira molecular de oxido e Mn (K-OMS-2) a partir de K-birnessita obtida pelo metodo sol-gel

    Energy Technology Data Exchange (ETDEWEB)

    Rezende, D.S.; Figueira, B.A.M., E-mail: brunoufopa@hotmail.com [Universidade Federal do Oeste do Para (UFOPA), Santarem, PA (Brazil). Instituto de Engenharia e Geociencias; Moraes, M.C. de; Silva, L.N. da [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Instituto de Geociencias; Mercury, J.M.R. [Instituto Federal do Maranhao (IFMA), Sao Luiz, MA (Brazil). Departamento de Quimica; Figueiredo, G.P. de [Universidade Federal do Rio Grande do Norte (IFRN), Natal, RN (Brazil). Departamento de Quimica

    2016-07-01

    This study presents the thermal synthesis of molecular sieve with K-OMS2 structure from K-birnessite tunneling process, one Mn oxide with structure in layer. According X-Ray diffraction data it was possible to monitoring the conversion of the layered structure around 550 deg C for (K-OMS-2) tunnel with tetragonal system and I2/m space group. The FTIR main spectrum bands of K-OMS-2 was observed in 700, 525 e 470 cm-1 region and are related to elongation Mn{sup 3+}-O e Mn{sup 4+}-O in the tunnel structure. The product morphology identified by Scanning Electron Microscopy it was verified as pseudo tetragonal, reflecting externally the crystallographic system of cryptomelane structure. The results reveal one simple route for the Mn oxide molecular sieve with K-OMS-2 structure.

  1. Degradação de corantes reativos por processo foto-fenton envolvendo o uso de peneira molecular 4A modificada com Fe3+ Degradation of reactive dyes by photo-fenton process using Fe3+ immobilized in molecular sieve 4A

    Directory of Open Access Journals (Sweden)

    Franciély Ignachewski

    2010-01-01

    Full Text Available In this work the preparation and characterization of a supported catalyst intended for degradation of reactive dyes by Fenton-like processes is described. The photocatalyst was prepared by immobilization of Fe3+ into the molecular sieve (4A type surface and characterized by x-ray diffractometry and infrared, Mössbauer and EPR spectroscopy. The solid containing 0.94% (w/w of ferric ions was used in degradation studies of aqueous reactive-dyes samples with really promissory results. Generally, Vis-assisted photochemical processes leads to almost total decolorization of all tested dyes at reaction times lower than 30 min. It was also observed that the iron-molecular sieve matrix can be reused.

  2. Manganese-rich MnSAPO-34 molecular sieves as an efficient catalyst for the selective catalytic reduction of NOxwith NH3: one-pot synthesis, catalytic performance, and characterization.

    Science.gov (United States)

    Yu, Chenglong; Chen, Feng; Dong, Lifu; Liu, Xiaoqing; Huang, Bichun; Wang, Xinnan; Zhong, Shengbang

    2017-03-01

    Manganese-rich MnSAPO-34 molecular sieves were prepared by one-pot synthesis method for NO x abatement using the ammonia-selective catalytic reduction (NH 3 -SCR) technology and characterized using ICP, BET, XRD, FE-SEM, H 2 -TPR, NH 3 -TPD, XPS, and DR UV-Vis analyses. The experimental results indicate that the Mn content and chemical state, as well as the surface acidity, of the MnSAPO-34 molecular sieves significantly enhance their DeNO x efficiency at low temperatures (ca. 200-300 °C). The manganese-rich MnSAPO-34 was synthesized using a combination of triethylamine and diisopropylamine as the structural directing agents and high Mn loading (n(MnO)/n(P 2 O 5 ) = 0.4). The resulting catalyst exhibits the highest activity among all of the samples with a NO x conversion value of nearly 95% and a N 2 selectivity that is higher than 90% at 220-400 °C. In addition, this catalyst presents higher NO x conversion than the conventional V 2 O 5 -WO 3 /TiO 2 catalysts and other SAPO-based catalysts below 300 °C. Furthermore, the analytical results indicate that the manganese species in the catalyst are mainly in the form of a framework Mn(IV), which could play a significant role in the NH 3 -SCR process as the specific active species. The results suggest that controlling the types and content of the organic amine templates and variations in the surface acidity of the catalysts may significantly enhance the SCR activity at lower temperatures.

  3. Cryogenic separation of hydrogen isotopes in single-walled carbon and boron-nitride nanotubes: insight into the mechanism of equilibrium quantum sieving in quasi-one-dimensional pores.

    Science.gov (United States)

    Kowalczyk, Piotr; Gauden, Piotr A; Terzyk, Artur P

    2008-07-17

    Quasi-one-dimensional cylindrical pores of single-walled boron nitride and carbon nanotubes efficiently differentiate adsorbed hydrogen isotopes at 33 K. Extensive path integral Monte Carlo simulations revealed that the mechanisms of quantum sieving for both types of nanotubes are quantitatively similar; however, the stronger and heterogeneous external solid-fluid potential generated from single-walled boron nitride nanotubes enhanced the selectivity of deuterium over hydrogen both at zero coverage and at finite pressures. We showed that this enhancement of the D(2)/H(2) equilibrium selectivity results from larger localization of hydrogen isotopes in the interior space of single-walled boron nitride nanotubes in comparison to that of equivalent single-walled carbon nanotubes. The operating pressures for efficient quantum sieving of hydrogen isotopes are strongly depending on both the type as well as the size of the nanotube. For all investigated nanotubes, we predicted the occurrence of the minima of the D(2)/H(2) equilibrium selectivity at finite pressure. Moreover, we showed that those well-defined minima are gradually shifted upon increasing of the nanotube pore diameter. We related the nonmonotonic shape of the D(2)/H(2) equilibrium selectivity at finite pressures to the variation of the difference between the average kinetic energy computed from single-component adsorption isotherms of H(2) and D(2). In the interior space of both kinds of nanotubes hydrogen isotopes formed solid-like structures (plastic crystals) at 33 K and 10 Pa with densities above the compressed bulk para-hydrogen at 30 K and 30 MPa.

  4. Adsorção de CO2 em peneiras moleculares micro e mesoporosas

    Directory of Open Access Journals (Sweden)

    Thiago G. Oliveira

    2014-01-01

    Full Text Available Microporous molecular sieves of type Y, Beta, ZSM-5, ZSM-12 and ZSM-35, and mesoporous molecular sieves of type MCM-41 and MCM-48, and these sieves modified with triethanolamine and ethylenediamine were obtained and characterized by XRD, FTIR, TGA and nitrogen adsorption. The adsorption tests were performed by the gravimetric method under a stream of CO2 at ambient temperature and pressure. The adsorbents studied showed maximum adsorption capacity of carbon dioxide in the range of 13.1 to 85.5 mg of CO2 per gram of adsorbent.

  5. Coal precursors for carbon molecular sieves (CMS): Appendices A through L. Final report, October 1, 1994--March 31, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Kopp, O.C.; Sparks, C.R.; McKinney, M.L. [Tennessee Univ., Knoxville, TN (United States). Dept. of Geological Sciences; Fuller, E.L. Jr.; Rogers, M.R. [Oak Ridge National Lab., TN (United States)

    1996-03-31

    The data for each coal sample used in this study are included in a separate appendix. The information for each coal is presented in the following order: coal sample data (literature); coal sample data (measured); thermogravimetric data; mass spectroscopy data; mercury intrusion pore analysis; quantachrome gas sorption analysis (BET) using nitrogen (raw whole coal sample); quantachrome gas sorption analysis (BET) using nitrogen (activated whole coal sample; and plot of FTIR (DRIS) information absorbance vs wavenumbers).

  6. Molecular Basis of Microbial One-Carbon Metabolism

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-07-12

    The Gordon Research Conference (GRC) on Molecular Basis of Microbial One-Carbon Metabolism was held at Connecticut College, New London, Connecticut. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  7. On the Vibration of Single-Walled Carbon Nanocones: Molecular Mechanics Approach versus Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    R. Ansari

    2014-01-01

    Full Text Available The vibrational behavior of single-walled carbon nanocones is studied using molecular structural method and molecular dynamics simulations. In molecular structural approach, point mass and beam elements are employed to model the carbon atoms and the connecting covalent bonds, respectively. Single-walled carbon nanocones with different apex angles are considered. Besides, the vibrational behavior of nanocones under various types of boundary conditions is studied. Predicted natural frequencies are compared with the existing results in the literature and also with the ones obtained by molecular dynamics simulations. It is found that decreasing apex angle and the length of carbon nanocone results in an increase in the natural frequency. Comparing the vibrational behavior of single-walled carbon nanocones under different boundary conditions shows that the effect of end condition on the natural frequency is more prominent for nanocones with smaller apex angles.

  8. Graphical Selection of Sieve Mesh for Grain Sieves | Ahmed ...

    African Journals Online (AJOL)

    A graphical method was established to obtain the accurate screen apertures of sieves used for separating grain seeds from foreign matter at maximum efficiency thereby facilitating the proper design of a cleaning system. The method depends upon the statistical analysis of the physical/mechanical properties of both grain ...

  9. Developing a molecular platform for potential carbon dioxide fixing

    DEFF Research Database (Denmark)

    Mikkelsen, Mette; Jørgensen, Mikkel; Krebs, Frederik C

    2010-01-01

    This paper presents an attempt to develop a new system for fixing carbon dioxide from the atmosphere. The proposed molecular system has been designed to have the capacity to spontaneously bind CO2 from the atmosphere with high affinity. The molecular system is furthermore designed to have...... the ability to liberate CO2 at a later stage in the process, i.e., in a separate compartment. The liberated CO2 presents a carbon neutral way of obtaining pure CO2. The proposed molecular system is based on a small stable organic molecule that potentially have two forms: one without bound CO2 and one...

  10. Quantitative analysis of flavanones from citrus fruits by using mesoporous molecular sieve-based miniaturized solid phase extraction coupled to ultrahigh-performance liquid chromatography and quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Cao, Wan; Ye, Li-Hong; Cao, Jun; Xu, Jing-Jing; Peng, Li-Qing; Zhu, Qiong-Yao; Zhang, Qian-Yun; Hu, Shuai-Shuai

    2015-08-07

    An analytical procedure based on miniaturized solid phase extraction (SPE) and ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry was developed and validated for determination of six flavanones in Citrus fruits. The mesoporous molecular sieve SBA-15 as a solid sorbent was characterised by Fourier transform-infrared spectroscopy and scanning electron microscopy. Additionally, compared with reported extraction techniques, the mesoporous SBA-15 based SPE method possessed the advantages of shorter analysis time and higher sensitivity. Furthermore, considering the different nature of the tested compounds, all of the parameters, including the SBA-15 amount, solution pH, elution solvent, and the sorbent type, were investigated in detail. Under the optimum condition, the instrumental detection and quantitation limits calculated were less than 4.26 and 14.29ngmL(-1), respectively. The recoveries obtained for all the analytes were ranging from 89.22% to 103.46%. The experimental results suggested that SBA-15 was a promising material for the purification and enrichment of target flavanones from complex citrus fruit samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. An implementation of the number field sieve

    OpenAIRE

    Elkenbracht-Huizing, Marije

    1996-01-01

    The Number Field Sieve (NFS) is the asymptotically fastest known factoring algorithm for large integers. This article describes an implementation of the NFS, including the choice of two quadratic polynomials, both classical sieving and a special form of lattice sieving (line sieving), the block Lanczos method and a new square root algorithm. Finally some data on factorizations obtained with this implementation are listed, including the record factorization of $12^{151}-1$.

  12. Soil microbial carbon turnover decreases with increasing molecular size

    Science.gov (United States)

    Malik, Ashish; Gleixner, Gerd

    2014-05-01

    It is well established that soil microorganisms play an important role in respiration of newly fixed plant carbon. Recent results show that they also contribute significantly to soil organic matter (SOM) formation. We hypothesized that different molecular size classes of compounds in soil microbial biomass (SMB) have variable turnover time and in consequence influence SOM formation differentially. Here we used natural differences in carbon stable isotope signatures (δ13C values) after C3-C4 vegetation change to track newly fixed C4 plant carbon into SMB molecular size classes. SMB was obtained by chloroform fumigation extraction and δ13C values of its size classes were measured using size exclusion chromatography coupled online to liquid chromatography-isotope ratio mass spectrometry (SEC-LC-IRMS). Resolved SMB was assigned to 5 size classes: 1800-9800 Da, 800-1800 Da, 380-800 Da, 180-380 Da and 50-180 Da. The contribution of recent C4 plant carbon to size classes of SMB decreased with increasing molecular weight (MW). It ranged from 77±19% in the lowest MW size class size class to 41±14% in the 1800-9800 Da size class in 'Sandy' soil and from 59±18% in the lowest MW size class to 8±15% in the highest MW size class in 'Clayey' soil. A decreasing carbon turnover of compounds in SMB extracts along a continuum of molecular size from small to large implies that low molecular weight microbial compounds are rapidly metabolized products that link to fast respiratory carbon fluxes, whereas high molecular weight ones could be products of microbial synthesis like structural compounds that have slower turnover rates and link to slower SOM formation.

  13. Multiprocessing the Sieve of Eratosthenes

    Energy Technology Data Exchange (ETDEWEB)

    Bokhari, S.H.

    1987-04-01

    More than two thousand years ago, Eratosthenes of Cyrene described a procedure for finding all prime numbers in a given range. This straightforward algorithm, known as the Sieve of Eratosthenes, is to this day the only procedure for finding prime numbers. In recent years it has been of interest to computer scientists and engineers because it serves as a convenient benchmark against which to measure some aspects of a computer's performance. Specifically, the Sieve tests the power of a machine (or of a compiler) to access a very large array in memory rapidly and repeatedly. This power is clearly influenced by memory access time, the speed at which indexing is done, and the overhead of looping. The parallel version of the Sieve is very useful as a test of some of the capabilities of a parallel machine. The parallel algorithm is straightforward, and so is the process for checking the final results. However, the efficient implementation of the algorithm on a real parallel machine, especially in the dynamic load-balancing case, requires thoughtful design.

  14. Laser ablation of molecular carbon nitride compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, D., E-mail: d.fischer@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Schwinghammer, K. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience (CeNS), 80799 Munich (Germany); Sondermann, C. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Lau, V.W.; Mannhart, J. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Lotsch, B.V. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience (CeNS), 80799 Munich (Germany)

    2015-09-15

    We present a method for the preparation of thin films on sapphire substrates of the carbon nitride precursors dicyandiamide (C{sub 2}N{sub 4}H{sub 4}), melamine (C{sub 3}N{sub 6}H{sub 6}), and melem (C{sub 6}N{sub 10}H{sub 6}), using the femtosecond-pulsed laser deposition technique (femto-PLD) at different temperatures. The depositions were carried out under high vacuum with a femtosecond-pulsed laser. The focused laser beam is scanned on the surface of a rotating target consisting of the pelletized compounds. The resulting polycrystalline, opaque films were characterized by X-ray powder diffraction, infrared, Raman, and X-ray photoelectron spectroscopy, photoluminescence, SEM, and MALDI-TOF mass spectrometry measurements. The crystal structures and optical/spectroscopic results of the obtained rough films largely match those of the bulk materials.

  15. Molecularly Imprinted Polymer-Carbon Nanotube based Cotinine sensor

    NARCIS (Netherlands)

    Abbas, Yawar; Bomer, Johan G.; Brusse-Keizer, M.G.J.; Movig, K; van der Valk, P.D.L.P.M.; Pieterse, Marcel E.; Segerink, Loes Irene; Olthuis, Wouter; van den Berg, Albert

    2016-01-01

    A cotinine sensor based on the dc resistance of a polymer composite films is presented. The composite film comprises a cotinine selective molecularly imprinted polymer and carbon nanotube particles. This polymer film is deposited over a gold interdigitated electrode array to measure its electrical

  16. Tunable sieving of ions using graphene oxide membranes

    Science.gov (United States)

    Abraham, Jijo; Vasu, Kalangi S.; Williams, Christopher D.; Gopinadhan, Kalon; Su, Yang; Cherian, Christie T.; Dix, James; Prestat, Eric; Haigh, Sarah J.; Grigorieva, Irina V.; Carbone, Paola; Geim, Andre K.; Nair, Rahul R.

    2017-07-01

    Graphene oxide membranes show exceptional molecular permeation properties, with promise for many applications. However, their use in ion sieving and desalination technologies is limited by a permeation cutoff of ˜9 Å (ref. 4), which is larger than the diameters of hydrated ions of common salts. The cutoff is determined by the interlayer spacing (d) of ˜13.5 Å, typical for graphene oxide laminates that swell in water. Achieving smaller d for the laminates immersed in water has proved to be a challenge. Here, we describe how to control d by physical confinement and achieve accurate and tunable ion sieving. Membranes with d from ˜9.8 Å to 6.4 Å are demonstrated, providing a sieve size smaller than the diameters of hydrated ions. In this regime, ion permeation is found to be thermally activated with energy barriers of ˜10-100 kJ mol-1 depending on d. Importantly, permeation rates decrease exponentially with decreasing sieve size but water transport is weakly affected (by a factor of method to obtain graphene-based membranes with limited swelling, which exhibit 97% rejection for NaCl.

  17. Multicomponent ballistic transport in narrow single wall carbon nanotubes: Analytic model and molecular dynamics simulations

    Science.gov (United States)

    Mutat, T.; Adler, J.; Sheintuch, M.

    2011-01-01

    The transport of gas mixtures through molecular-sieve membranes such as narrow nanotubes has many potential applications, but there remain open questions and a paucity of quantitative predictions. Our model, based on extensive molecular dynamics simulations, proposes that ballistic motion, hindered by counter diffusion, is the dominant mechanism. Our simulations of transport of mixtures of molecules between control volumes at both ends of nanotubes give quantitative support to the model's predictions. The combination of simulation and model enable extrapolation to longer tubes and pore networks.

  18. Molecular Dynamics Simulations of Carbon Nanotubes in Water

    Science.gov (United States)

    Walther, J. H.; Jaffe, R.; Halicioglu, T.; Koumoutsakos, P.

    2000-01-01

    We study the hydrophobic/hydrophilic behavior of carbon nanotubes using molecular dynamics simulations. The energetics of the carbon-water interface are mainly dispersive but in the present study augmented with a carbon quadrupole term acting on the charge sites of the water. The simulations indicate that this contribution is negligible in terms of modifying the structural properties of water at the interface. Simulations of two carbon nanotubes in water display a wetting and drying of the interface between the nanotubes depending on their initial spacing. Thus, initial tube spacings of 7 and 8 A resulted in a drying of the interface whereas spacing of > 9 A remain wet during the course of the simulation. Finally, we present a novel particle-particle-particle-mesh algorithm for long range potentials which allows for general (curvilinear) meshes and "black-box" fast solvers by adopting an influence matrix technique.

  19. Sieves replaced by DEA system in gas plant to boost ethane recovery

    Energy Technology Data Exchange (ETDEWEB)

    Root, C.R.; Changela, M.K.

    1986-10-20

    Modification of an acid-gas removal system at an Amoco Production Co. gas plant was undertaken to improve product treating and increase ethane recovery. The plant was originally constructed with molecular-sieve treaters designed to remove the trace amounts of hydrogen sulfide anticipated in the NGL. These treaters have now been replaced with a liquid-liquid, diethanolamine treating system designed for carbon-dioxide and sulfur-compound removal from NGL. The existing gas plant was designed to process 110 MMscfd of natural gas for 50% ethane and 92% propane recovery. These recovery levels reduce the residue-gas heating value to 1,000 BTU/cu ft. The plant was also designed for a peak gas throughput of 150 MMscfd with reduced liquid recovery levels. Minimum design liquid production was 290 gpm (10,000 b/d).

  20. Molecular Imaging with Single-Walled Carbon Nanotubes

    Science.gov (United States)

    Hong, Hao; Gao, Ting; Cai, Weibo

    2011-01-01

    Nanoparticle-based molecular imaging has emerged as an interdisciplinary field which involves physics, chemistry, engineering, biology, and medicine. Single-walled carbon nanotubes (SWCNTs) have unique properties which make them suitable for applications in a variety of imaging modalities, such as magnetic resonance, near-infrared fluorescence, Raman spectroscopy, photoacoustic tomography, and radionuclide-based imaging. In this review, we will summarize the current state-of-the-art of SWCNTs in molecular imaging applications. Multifunctionality is the key advantage of nanoparticles over traditional approaches. Targeting ligands, imaging labels, therapeutic drugs, and many other agents can all be integrated into the nanoparticle to allow for targeted molecular imaging and molecular therapy by encompassing many biological and biophysical barriers. A multifunctional, SWCNT-based nanoplatform holds great potential for clinical applications in the future. PMID:21754949

  1. Mesoporous titanium phosphates and related molecular sieves ...

    Indian Academy of Sciences (India)

    Fulltext. Click here to view fulltext PDF. Permanent link: ... Keywords. Titanium phosphate; zeolite; ion-exchanger; cationic framework; oxidation catalysis; photocatalysis. ... these materials. These materials also show excellent photocatalytic activity in the production of H2 by photo-reduction of water under UV light irradiation.

  2. Synthesis and Characterisation of Aluminophosphate Molecular Sieves

    Energy Technology Data Exchange (ETDEWEB)

    Halvorsen, E.N.

    1996-02-01

    Catalysts are very important in petrochemical processes. One of the properties that make crystalline, microporous materials attractive for catalytic purposes is their well-defined structure and ability to act as shape selective catalysts. This doctoral thesis presents the synthesis and characterization of a number of crystalline, microporous aluminophosphates and silicoaluminophosphates. 99 refs., 50 figs., 12 tabs.

  3. Polymeric molecular sieve membranes for gas separation

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Sheng; Qiao, Zhenan; Chai, Songhai

    2017-08-15

    A porous polymer membrane useful in gas separation, the porous polymer membrane comprising a polymeric structure having crosslinked aromatic groups and a hierarchical porosity in which micropores having a pore size less than 2 nm are present at least in an outer layer of the porous polymer membrane, and macropores having a pore size of over 50 nm are present at least in an inner layer of the porous polymer membrane. Also described are methods for producing the porous polymer membrane in which a non-porous polymer membrane containing aromatic rings is subjected to a Friedel-Crafts crosslinking reaction in which a crosslinking molecule crosslinks the aromatic rings in the presence of a Friedel-Crafts catalyst and organic solvent under sufficiently elevated temperature, as well as methods for using the porous polymer membranes for gas or liquid separation, filtration, or purification.

  4. short communication mesoporous molecular sieve mcm-41 ...

    African Journals Online (AJOL)

    Preferred Customer

    The resulting reaction mixture which has the molar composition of 1. SiO2, 7.5 Na2O, 5.2 CTABr, 2500 H2O was kept over night and poured into the teflon lined stainless steel autoclave to make crystallization under static condition at 100 °C. The product was filtered, washed with distilled water, dried at 70 °C and calcined in ...

  5. short communication mesoporous molecular sieve mcm-41

    African Journals Online (AJOL)

    Preferred Customer

    of almost all existing methods is that the catalysts are destroyed in the workup procedure and cannot be recovered or reused. Therefore, the search continues for a better catalyst in terms of operational simplicity, reusability, economic viability, and greater selectivity. The possibility of performing multi-component reactions ...

  6. Molecular Dynamics Simulations of Laser Powered Carbon Nanotube Gears

    Science.gov (United States)

    Srivastava, Deepak; Globus, Al; Han, Jie; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    Dynamics of laser powered carbon nanotube gears is investigated by molecular dynamics simulations with Brenner's hydrocarbon potential. We find that when the frequency of the laser electric field is much less than the intrinsic frequency of the carbon nanotube, the tube exhibits an oscillatory pendulam behavior. However, a unidirectional rotation of the gear with oscillating frequency is observed under conditions of resonance between the laser field and intrinsic gear frequencies. The operating conditions for stable rotations of the nanotube gears, powered by laser electric fields are explored, in these simulations.

  7. Adsorption competition study between oxygenated compounds and hydrocarbons on molecular sieves; Etude de la competition d`adsorption entre les composes oxygenes et les hydrocarbures sur les tamis moleculaires

    Energy Technology Data Exchange (ETDEWEB)

    Kong Ming, L.

    1996-11-29

    The aim of this study is to determine the competitive behavior of methanol and l -hexene in an n-hexane solvent system using a 13-x and a molecular sieves as the adsorbent. Adsorption was carried out in liquid phase. Parameters such as concentration, flowrate, temperature and column, length were varied in order to assess their effects on the breakthrough curves. In methanol-n-hexane system, it was found that the concentration profiles of the breakthrough curves were not very much influenced by the parameters except for the amount of volume of feed processes. However, changes in the flowrate does not have a significant effect on the concentration profile. A higher flowrate, the profile assumes a more dispersive pattern which of course is expected due to lower contact time if internal diffusion is rate determining. In the case of l -hexane carries out at different temperatures and column lengths there were some differences in concentration profiles. This may be due to experimental difficulties in controlling the flowrate at the start of the experiment rather than inherent adsorption behavior. In the 3-component system, 1 -hexene breakthrough was very much earlier as compared to methanol. Desorption carried out at 383 k and with flowrate of 28{+-}l g/min and for 100 minutes for all cases showed little variation. Re-adsorption under various conditions showed marked reduction in the amount of feed processed. The breakthrough curves were simulated using an Institut Francais du Petrole (IFP) proprietary computer program which is based on selectivity and theoretical plates and which predicts very well for xylene separation. In the 1 -hexene-n-hexane system, the simulator predicted reasonably well in terms of bed volume processed, however, for the methanol-n-hexane system the simulator failed. For the program to be effective, some mathematical treatments needs to be done with respect to the handling of the numerical analysis. To describe the adsorption equilibrium, two

  8. Effect of H{sub 3}PW{sub 12}O{sub 40} impregnation on Sn-MCM-41 mesoporous molecular sieves and their physico-chemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Nedumaran, D. [Department of Chemistry, Institute of Catalysis and Petroleum Technology, Anna University, Chennai 600025 (India); Department of Chemistry, RMK Engineering College, Chennai (India); Pandurangan, A., E-mail: pandurangan_a@yahoo.com [Department of Chemistry, Institute of Catalysis and Petroleum Technology, Anna University, Chennai 600025 (India)

    2015-01-15

    Graphical abstract: The wide angle XRD shows the well dispersion of HPWA in Sn-MCM-41. It enhances the total acidity of the material. The acidity of the material is correlated with sulfone selectivity. The FT-IR of dibenzothiophene and product shows the formation of sulfone (DBTO{sub 2}). - Highlights: • To enhance the total acidity of Sn-MCM-41 TPA is impregnated. • FT-IR and {sup 31}P MAS NMR confirms the HPWA intact on Sn-MCM-41. • EDAX shows the presence of W and P on Sn-MCM-41. • In ODS formation of sulfone was confirmed by FT-IR and {sup 1}H NMR. • The order of the catalytic activity of the catalysts are 18HSnM > 28HSnM > 8HSnM. - Abstract: Si-Sn-MCM-41 (Si/Sn = 110) mesoporous molecular sieve was synthesized by hydrothermal sol–gel method using cetyltrimethylammonium bromide (CTAB) as surfactant and SnCl{sub 4}·5H{sub 2}O as a metal source. To generate surface acidity of Si-Sn-MCM-41, 12-tungstophosphoric acid (HPWA) is impregnated on it. The acidity of HPWA loading on Sn-MCM-41 was investigated by temperature programmed desorption of NH{sub 3}. The diffused reflectance spectra of ultraviolet radiation, Raman spectra, FT-IR, {sup 29}Si-MAS NMR and {sup 31}P-MAS NMR techniques revealed the intact of α-Keggin anions on Sn-MCM-41. The wide angle XRD results showed that the HPWA is well dispersed on the support. The total acidity was enhanced with increase in loading of H{sub 3}PW{sub 12}O{sub 40}. The catalytic activity was examined in desulfurization of dibenzothiophene in vapor phase system. Among the catalysts 18% HPWA loaded Sn-MCM-41 showed good catalytic activity in desulfurization at 325 °C. The HPWA/Sn-MCM-41 are a suitable solid acid catalyst for converting organic sulfur into insoluble sulfone.

  9. Multiprocessing the Sieve of Eratosthenes

    Science.gov (United States)

    Bokhari, S.

    1986-01-01

    The Sieve of Eratosthenes for finding prime numbers in recent years has seen much use as a benchmark algorithm for serial computers while its intrinsically parallel nature has gone largely unnoticed. The implementation of a parallel version of this algorithm for a real parallel computer, the Flex/32, is described and its performance discussed. It is shown that the algorithm is sensitive to several fundamental performance parameters of parallel machines, such as spawning time, signaling time, memory access, and overhead of process switching. Because of the nature of the algorithm, it is impossible to get any speedup beyond 4 or 5 processors unless some form of dynamic load balancing is employed. We describe the performance of our algorithm with and without load balancing and compare it with theoretical lower bounds and simulated results. It is straightforward to understand this algorithm and to check the final results. However, its efficient implementation on a real parallel machine requires thoughtful design, especially if dynamic load balancing is desired. The fundamental operations required by the algorithm are very simple: this means that the slightest overhead appears prominently in performance data. The Sieve thus serves not only as a very severe test of the capabilities of a parallel processor but is also an interesting challenge for the programmer.

  10. An implementation of the number field sieve

    NARCIS (Netherlands)

    M.C.M. de Jong; J.A.J. Metz; M. Elkenbracht-Huizing; O. Diekmann (Odo)

    1995-01-01

    textabstractThe Number Field Sieve (NFS) is the asymptotically fastest known factoring algorithm for large integers. This article describes an implementation of the NFS, including the choice of two quadratic polynomials, both classical and lattice sieving, the block Lanczos method and a new square

  11. Fullerenes, carbon nanotubes, and graphene for molecular electronics.

    Science.gov (United States)

    Pinzón, Julio R; Villalta-Cerdas, Adrián; Echegoyen, Luis

    2012-01-01

    With the constant growing complexity of electronic devices, the top-down approach used with silicon based technology is facing both technological and physical challenges. Carbon based nanomaterials are good candidates to be used in the construction of electronic circuitry using a bottom-up approach, because they have semiconductor properties and dimensions within the required physical limit to establish electrical connections. The unique electronic properties of fullerenes for example, have allowed the construction of molecular rectifiers and transistors that can operate with more than two logical states. Carbon nanotubes have shown their potential to be used in the construction of molecular wires and FET transistors that can operate in the THz frequency range. On the other hand, graphene is not only the most promising material for replacing ITO in the construction of transparent electrodes but it has also shown quantum Hall effect and conductance properties that depend on the edges or chemical doping. The purpose of this review is to present recent developments on the utilization carbon nanomaterials in molecular electronics.

  12. Comparative Modal Analysis of Sieve Hardware Designs

    Science.gov (United States)

    Thompson, Nathaniel

    2012-01-01

    The CMTB Thwacker hardware operates as a testbed analogue for the Flight Thwacker and Sieve components of CHIMRA, a device on the Curiosity Rover. The sieve separates particles with a diameter smaller than 150 microns for delivery to onboard science instruments. The sieving behavior of the testbed hardware should be similar to the Flight hardware for the results to be meaningful. The elastodynamic behavior of both sieves was studied analytically using the Rayleigh Ritz method in conjunction with classical plate theory. Finite element models were used to determine the mode shapes of both designs, and comparisons between the natural frequencies and mode shapes were made. The analysis predicts that the performance of the CMTB Thwacker will closely resemble the performance of the Flight Thwacker within the expected steady state operating regime. Excitations of the testbed hardware that will mimic the flight hardware were recommended, as were those that will improve the efficiency of the sieving process.

  13. Effects of sieving, drying and rewetting upon soil bacterial community structure and respiration rates.

    Science.gov (United States)

    Thomson, Bruce C; Ostle, Nick J; McNamara, Niall P; Whiteley, Andrew S; Griffiths, Robert I

    2010-10-01

    Soil microcosm studies often require some form of soil homogenisation, such as sieving, to provide a representative sample. Frequently, soils are also homogenised following drying and are then rewetted, yet little research has been done to understand how these methods impact upon microbial communities. Here we compared the molecular diversity and functional responses of intact cores from a Scottish grassland soil with homogenised samples prepared by drying, sieving and rewetting or freshly sieving wet soils. Results showed that there was no significant difference in total soil CO(2)-C efflux between the freshly sieved and intact core treatments, however, respiration was significantly higher in the dried and rewetted microcosms. Molecular fingerprinting (T-RFLP) of bacterial communities at two different time-points showed that both homogenisation methods significantly altered bacterial community structure with the largest differences being observed after drying and rewetting. Assessments of responsive taxa in each treatment showed that intact cores were dominated by Acidobacterial peaks whereas an increased relative abundance of Alphaproteobacterial terminal restriction fragments were apparent in both homogenised treatments. However, the shift in community structure was not as large in the freshly sieved soil. Our findings suggest that if soil homogenisation must be performed, then fresh sieving of wet soil is preferable to drying and rewetting in approximating the bacterial diversity and functioning of intact cores. Copyright © 2010 Elsevier B.V. All rights reserved.

  14. Irradiation of carbon nanotubes with carbon projectiles: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Denton, Cristian D. [Departamento de Fisica Aplicada, Universidad de Alicante, 03080 Alicante (Spain); Heredia-Avalos, Santiago; Moreno-Marin, Juan Carlos [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, 03080 Alicante (Spain)

    2013-04-15

    The irradiation of carbon based nanostructures with ions and electrons has been shown to be an appropriate tool to tailor their properties. The defects induced in the nanostructures during irradiation are able to modify their mechanical and electronic properties. Here we simulate the irradiation of carbon nanotubes with carbon ions using a molecular dynamics code. We use the Tersoff potential joined smoothly to the Universal Ziegler-Biersack-Littmark potential at short distances. We study the number of defects produced after irradiation with a single carbon ion finding a saturation with its energy at {proportional_to} 3 keV. We observe, after continuum irradiation with low energy ions, the formation of bumps in the irradiated region. For larger energy ions we find that the diameter of the nanotube shrinks as shown in previous works. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Growth, modification and integration of carbon nanotubes into molecular electronics

    Science.gov (United States)

    Moscatello, Jason P.

    Molecules are the smallest possible elements for electronic devices, with active elements for such devices typically a few Angstroms in footprint area. Owing to the possibility of producing ultra-high density devices, tremendous effort has been invested in producing electronic junctions by using various types of molecules. The major issues for molecular electronics include (1) developing an effective scheme to connect molecules with the present micro- and nano-technology, (2) increasing the lifetime and stabilities of the devices, and (3) increasing their performance in comparison to the state-of-the-art devices. In this work, we attempt to use carbon nanotubes (CNTs) as the interconnecting nanoelectrodes between molecules and microelectrodes. The ultimate goal is to use two individual CNTs to sandwich molecules in a cross-bar configuration while having these CNTs connected with microelectrodes such that the junction displays the electronic character of the molecule chosen. We have successfully developed an effective scheme to connect molecules with CNTs, which is scalable to arrays of molecular electronic devices. To realize this far reaching goal, the following technical topics have been investigated. (1) Synthesis of multi-walled carbon nanotubes (MWCNTs) by thermal chemical vapor deposition (T-CVD) and plasma-enhanced chemical vapor deposition (PECVD) techniques (Chapter 3). We have evaluated the potential use of tubular and bamboo-like MWCNTs grown by T-CVD and PE-CVD in terms of their structural properties. (2) Horizontal dispersion of MWCNTs with and without surfactants, and the integration of MWCNTs to microelectrodes using deposition by dielectrophoresis (DEP) (Chapter 4). We have systematically studied the use of surfactant molecules to disperse and horizontally align MWCNTs on substrates. In addition, DEP is shown to produce impurityfree placement of MWCNTs, forming connections between microelectrodes. We demonstrate the deposition density is tunable by

  16. Modeling the hydrodynamics of Phloem sieve plates

    DEFF Research Database (Denmark)

    Jensen, Kaare Hartvig; Mullendore, Daniel Leroy; Holbrook, Noel Michele

    2012-01-01

    understood. We propose a theoretical model for quantifying the effect of sieve plates on the phloem in the plant, thus unifying and improving previous work in the field. Numerical simulations of the flow in real and idealized phloem channels verify our model, and anatomical data from 19 plant species...... are investigated. We find that the sieve plate resistance is correlated to the cell lumen resistance, and that the sieve plate and the lumen contribute almost equally to the total hydraulic resistance of the phloem translocation pathway....

  17. Modeling Carbon and Hydrocarbon Molecular Structures in EZTB

    Science.gov (United States)

    Lee, Seungwon; vonAllmen, Paul

    2007-01-01

    A software module that models the electronic and mechanical aspects of hydrocarbon molecules and carbon molecular structures on the basis of first principles has been written for incorporation into, and execution within, the Easy (Modular) Tight-Binding (EZTB) software infrastructure, which is summarized briefly in the immediately preceding article. Of particular interest, this module can model carbon crystals and nanotubes characterized by various coordinates and containing defects, without need to adjust parameters of the physical model. The module has been used to study the changes in electronic properties of carbon nanotubes, caused by bending of the nanotubes, for potential utility as the basis of a nonvolatile, electriccharge- free memory devices. For example, in one application of the module, it was found that an initially 50-nmlong carbon, (10,10)-chirality nanotube, which is a metallic conductor when straight, becomes a semiconductor with an energy gap of .3 meV when bent to a lateral displacement of 4 nm at the middle.

  18. Magnetic susceptibility of molecular carbon: nanotubes and fullerite

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, A.P.; Haddon, R.C.; Zhou, O.; Fleming, R.M.; Zhang, J.; McClure, S.M.; Smalley, R.E. (AT T Bell Laboratories, Murray Hill, NJ (United States))

    1994-07-01

    Elemental carbon can be synthesized in a variety of geometrical forms, from three-dimensional extended structures (diamond) to finite molecules (C[sub 60] fullerite). Results are presented here on the magnetic susceptibility of the least well-understood members of this family, nanotubes and C[sub 60] fullerite. (1) Nanotubes represent the cylindrical form of carbon, intermediate between graphite and fullerite. They are found to have significantly larger orientation-averaged susceptibility, on a per carbon basis, than any other form of elemental carbon. This susceptibility implies an average band structure among nanotubes similar to that of graphite. (2) High-resolution magnetic susceptibility data on C[sub 60] fullerite near the molecular orientational-ordering transition at 259 K show a sharp jump corresponding to 2.5 centimeter-gram-second parts per million per mole of C[sub 60]. This jump directly demonstrates the effect of an intermolecular cooperative transition on an intramolecular electronic property, where the susceptibility jump may be ascribed to a change in the shape of the molecule due to lattice forces.

  19. Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study.

    Science.gov (United States)

    Reddy, Sandeep K; Balasubramanian, Sundaram

    2012-12-27

    A density functional theory based Car-Parrinello molecular dynamics simulation of liquid dimethyl carbonate, an environmentally benign solvent, has been carried out to study its structure and dynamics. Conformational excitations of the molecule have been probed in both its gas and liquid phases. While the cis-cis conformer is the global energy minimum and, thus, the most predominant, at ambient conditions a few percent of molecules are present in the cis-trans conformation as well. The latter possesses a dipole moment of around 4.5 D in the liquid state, a value that is nearly five times as large as that for the cis-cis conformer. Dipole-dipole interactions play a crucial role in the formation of small hydrogen bonded clusters of cis-trans conformers in the liquid. The vibrational spectrum of liquid dimethyl carbonate has been obtained from the trajectory and is shown to agree quite well with available experimental data.

  20. Sieve tube geometry in relation to phloem flow

    NARCIS (Netherlands)

    Mullendore, D.L.; Windt, C.W.; As, van H.; Knoblauch, M.

    2010-01-01

    Sieve elements are one of the least understood cell types in plants. Translocation velocities and volume flow to supply sinks with photoassimilates greatly depend on the geometry of the microfluidic sieve tube system and especially on the anatomy of sieve plates and sieve plate pores. Several models

  1. The Combinatorics behind Number-Theoretic Sieves

    National Research Council Canada - National Science Library

    Chow, Timothy Y

    1998-01-01

    Ever since Viggo Brun's pioneering work, number theorists have developed increasingly sophisticated refinements of the sieve of Eratosthenes to attack problems such as the twin prime conjecture and Goldbach's conjecture...

  2. Carbon nanotubes as nanodelivery systems an insight through molecular dynamics simulations

    CERN Document Server

    Lim, Melvin Choon Giap

    2013-01-01

    This book showcases the application of carbon nanotubes as nanodelivery systems for copper atoms, using molecular dynamics simulations as a means of investigation. The nanodelivery system of the carbon nanotube presents the possible usage of the carbon structure in many areas in the future. This book is comprehensive and informative, and serves as a guide for any reader who wishes to perform a molecular dynamics simulation of his own and to conduct an analytical study of a molecular system.

  3. Molecular Dynamics Simulation of Carbon Nanotube Based Gears

    Science.gov (United States)

    Han, Jie; Globus, Al; Jaffe, Richard; Deardorff, Glenn; Chancellor, Marisa K. (Technical Monitor)

    1996-01-01

    We used molecular dynamics to investigate the properties and design space of molecular gears fashioned from carbon nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. One gear was powered by forcing the atoms near the end of the buckytube to rotate, and a second gear was allowed.to rotate by keeping the atoms near the end of its buckytube on a cylinder. The meshing aromatic gear teeth transfer angular momentum from the powered gear to the driven gear. A number of gear and gear/shaft configurations were simulated. Cases in vacuum and with an inert atmosphere were examined. In an extension to molecular dynamics technology, some simulations used a thermostat on the atmosphere while the hydrocarbon gear's temperature was allowed to fluctuate. This models cooling the gears with an atmosphere. Results suggest that these gears can operate at up to 50-100 gigahertz in a vacuum or inert atmosphere at room temperature. The failure mode involves tooth slip, not bond breaking, so failed gears can be returned to operation by lowering temperature and/or rotation rate. Videos and atomic trajectory files in xyz format are presented.

  4. A Molecular Dynamics Study on the Confinement of Carbon Dioxide Molecules in Carbon Nanotubes

    Science.gov (United States)

    Lazor, Meagan; Rende, Deniz; Baysal, Nihat; Ozisik, Rahmi

    2012-02-01

    The influence of atmospheric carbon dioxide (CO2) concentration on global warming is considered as one of the primary environmental issues of the past two decades. The main source of CO2 emission is human activity, such as the use of fossil fuels in transportation and industrial plants. Following the release of Kyoto Protocol in 1997, effective ways of controlling CO2 emissions received much attention. As a result, various materials such as activated carbon, zeolites, and carbon nanotubes (CNTs) were investigated for their CO2 adsorbing properties. CNTs were reported to have CO2 adsorption capability twice that of activated carbon, hence they received the most attention. In the current study, single walled carbon nanotubes (SWNTs) were used as one dimensional nanoporous materials and their CO2 adsorption capacity was analyzed with Molecular Dynamics simulations. Results indicated that SWNTs are excellent CO2 adsorbers and their effectiveness increase at low CO2 concentrations. In addition, we showed that by varying temperature, CO2 can be removed from the SWNTs, providing a simple method to reuse SWNTs.

  5. Electrochemical cholesterol sensor based on carbon nanotube@molecularly imprinted polymer modified ceramic carbon electrode.

    Science.gov (United States)

    Tong, Yuejin; Li, Haidong; Guan, Huaimin; Zhao, Jianming; Majeed, Saadat; Anjum, Saima; Liang, Feng; Xu, Guobao

    2013-09-15

    A monolithic molecular imprinting sensor based on ceramic carbon electrode (CCE) has been reported. The sensor can be renewed simply by smoothing. It was fabricated by thoroughly mixing multiwalled carbon nanotube@molecularly imprinted polymer (MWCNT@MIP), graphite powder, and silicon alkoxide, and then packing the resulting complex mixture of components firmly into the electrode cavity of a Teflon sleeve. The incorporated MWCNT@MIP in CCEs functioned as a recognition element for cholesterol determination. The MWCNT@MIP-CCEs were tested in the presence or absence of cholesterol by cyclic voltammetry and linear sweep voltammetry. The cholesterol sensor has excellent sensitivity with a linear range of 10-300nM and a detection limit of 1nM (S/N=3). The monolithic molecular imprinting sensor exhibits good stability, high sensitivity, and user-friendly reusability for cholesterol determination. This study shows that CCE is a promising matrix for MIP sensors. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Carbon monoxide and carbon dioxide hydrogenation catalyzed by supported ruthenium carbonyl clusters: a novel procedure for encapsulating Ru3(Co)12 within the pores of Na-Y zeolite. Technical report No. 1, 1986-1987

    Energy Technology Data Exchange (ETDEWEB)

    Hastings, W.R.; Cameron, C.J.; Thomas, M.J.; Baird, M.C.

    1988-01-01

    Zeolite-supported ruthenium catalysts for the hydrogenation of carbon monoxide and carbon dioxide were prepared by sorbing Ru(CO)5 (molecular diameter 6.3 A) onto Na-Y zeolite and Linde 5A molecular sieve. Although the metal carbonyl is not absorbed into the pores of the molecular sieve (diameter 4.2 A), it is readily absorbed into the pores (diameter 7.4 A) and supercages (diameter 13 A) of the Na-Y zeolite. The Ru(CO)5 in Na-Y coverts in the absence of carbon monoxide to the much larger Ru3(CO)12 (diameter 9.2 A), which remains on the surface of the molecular sieve but is trapped within the supercages of the Na-Y zeolite because it cannot pass through the smaller pores. Slow, temperature-programmed heating of the Ru3(CO)12 in Na-Y to 350 C under a flow of hydrogen results in decarbonylation and formation of a CO hydrogenation catalyst that produces a very atypical (for ruthenium) hydrocarbon distribution truncated at about C10. The unusual product distribution presumably arises because the catalyst sites are situated within the zeolite supercages. Thus the metal is highly dispersed and or the growing hydrocarbon chains are subject to geometrical limitations on their growth. Consistent with this prothesis, ruthenium carbonyl clusters immobilized on the external surfaces of Na-Y zeolite, Linde 5A molecular sieve, and gamma alumina all exhibit typical, nonselective hydrocarbon-product distributions.

  7. Carbon Nanomaterials and DNA: from Molecular Recognition to Applications.

    Science.gov (United States)

    Sun, Hanjun; Ren, Jinsong; Qu, Xiaogang

    2016-03-15

    DNA is polymorphic. Increasing evidence has indicated that many biologically important processes are related to DNA's conformational transition and assembly states. In particular, noncanonical DNA structures, such as the right-handed A-form, the left-handed Z-form, the triplex, the G-quadruplex, the i-motif, and so forth, have been specific targets for the diagnosis and therapy of human diseases. Meanwhile, they have been widely used in the construction of smart DNA nanomaterials and nanoarchitectures. As rising stars in materials science, the family of carbon nanomaterials (CNMs), including two-dimensional graphene, one-dimensional carbon nanotubes (CNTs), and zero-dimensional graphene or carbon quantum dots (GQDs or CQDs), interact with DNA and are able to regulate the conformational transitions of DNA. The interaction of DNA with CNMs not only opens new opportunities for specific molecular recognition, but it also expands the promising applications of CNMs from materials science to biotechnology and biomedicine. In this Account, we focus on our contributions to the field of interactions between CNMs and DNA in which we have explored their promising applications in nanodevices, sensing, materials synthesis, and biomedicine. For one-dimensional CNTs, two-dimensional graphene, and zero-dimensional GQDs and CQDs, the basic principles, binding modes, and applications of the interactions between CNMs and DNA are reviewed. We aim to give prominence to the important status of CNMs in the field of molecular recognition for DNA. First, we summarized our discovery of the interactions between single-walled carbon nanotubes (SWNTs) with duplex, triplex, and human telomeric i-motif DNA and their interesting applications. For example, SWNTs are the first chemical agents that can selectively stabilize human telomeric i-motif DNA and induce its formation under physiological conditions. On the basis of this principle, two types of nanodevices were designed. One was used for

  8. Molecular Characterization of Brown Carbon in Biomass Burning Aerosol Particles

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Peng; Aiona, Paige K.; Li, Ying; Shiraiwa, Manabu; Laskin, Julia; Nizkorodov, Sergey A.; Laskin, Alexander

    2016-11-01

    Emissions from biomass burning are a significant source of brown carbon (BrC) in the atmosphere. In this study, we investigate the molecular composition of freshly-emitted biomass burning organic aerosol (BBOA) samples collected during test burns of selected biomass fuels: sawgrass, peat, ponderosa pine, and black spruce. We characterize individual BrC chromophores present in these samples using high performance liquid chromatography coupled to a photodiode array detector and a high-resolution mass spectrometer. We demonstrate that both the overall BrC absorption and the chemical composition of light-absorbing compounds depend significantly on the type of biomass fuels and burning conditions. Common BrC chromophores in the selected BBOA samples include nitro-aromatics, polycyclic aromatic hydrocarbon derivatives, and polyphenols spanning a wide range of molecular weights, structures, and light absorption properties. A number of biofuel-specific BrC chromophores are observed, indicating that some of them may be used as potential markers of BrC originating from different biomass burning sources. On average, ~50% of the light absorption above 300 nm can be attributed to a limited number of strong BrC chromophores, which may serve as representative light-absorbing species for studying atmospheric processing of BrC aerosol. The absorption coefficients of BBOA are affected by solar photolysis. Specifically, under typical atmospheric conditions, the 300 nm absorbance decays with a half-life of 16 hours. A “molecular corridors” analysis of the BBOA volatility distribution suggests that many BrC compounds in the fresh BBOA have low volatility (<1 g m-1) and will be retained in the particle phase under atmospherically relevant conditions.

  9. Synthesis of Zeolite Nanomolecular Sieves of Different Si/Al Ratios

    Directory of Open Access Journals (Sweden)

    Pankaj Sharma

    2015-01-01

    Full Text Available Nanosized zeolite molecular sieves of different Si/Al ratios have been prepared using microwave hydrothermal reactor (MHR for their greater application in separation and catalytic science. The as-synthesized molecular sieves belong to four different type zeolite families: MFI (infinite and high silica, FAU (moderate silica, LTA (low silica and high alumina, and AFI (alumina rich and silica-free. The phase purity of molecular sieves has been assessed by X-ray diffraction (XRD analysis and morphological evaluation done by electron microscopy. Broad XRD peaks reveal that each zeolite molecular sieve sample is composed of nanocrystallites. Scanning electron microscopic images feature the notion that the incorporation of aluminum to MFI zeolite synthesis results in morphological change. The crystals of pure silica MFI zeolite (silicalite-1 have hexagon lump/disk-like shape, whereas MFI zeolite particles with Si/Al molar ratios 250 and 100 have distorted hexagonal lump/disk and pseudo spherical shapes, respectively. Furthermore, phase pure zeolite nanocrystals of octahedron (FAU, cubic (LTA, and rod (AFI shape have been synthesized. The average sizes of MFI, FAU, LTA, and AFI zeolite crystals are 250, 150, 50, and 3000 nm, respectively. Although the length of AFI zeolite rods is in micron scale, the thickness and width are of a few nanometers.

  10. The development of the number field sieve

    CERN Document Server

    Lenstra, Hendrik

    1993-01-01

    The number field sieve is an algorithm for finding the prime factors of large integers. It depends on algebraic number theory. Proposed by John Pollard in 1988, the method was used in 1990 to factor the ninth Fermat number, a 155-digit integer. The algorithm is most suited to numbers of a special form, but there is a promising variant that applies in general. This volume contains six research papers that describe the operation of the number field sieve, from both theoretical and practical perspectives. Pollard's original manuscript is included. In addition, there is an annotated bibliography of directly related literature.

  11. SEORious business: structural proteins in sieve tubes and their involvement in sieve element occlusion.

    Science.gov (United States)

    Knoblauch, Michael; Froelich, Daniel R; Pickard, William F; Peters, Winfried S

    2014-04-01

    The phloem provides a network of sieve tubes for long-distance translocation of photosynthates. For over a century, structural proteins in sieve tubes have presented a conundrum since they presumably increase the hydraulic resistance of the tubes while no potential function other than sieve tube or wound sealing in the case of injury has been suggested. Here we summarize and critically evaluate current speculations regarding the roles of these proteins. Our understanding suffers from the suggestive power of images; what looks like a sieve tube plug on micrographs may not actually impede translocation very much. Recent reports of an involvement of SEOR (sieve element occlusion-related) proteins, a class of P-proteins, in the sealing of injured sieve tubes are inconclusive; various lines of evidence suggest that, in neither intact nor injured plants, are SEORs determinative of translocation stoppage. Similarly, the popular notion that P-proteins serve in the defence against phloem sap-feeding insects is unsupported by empirical facts; it is conceivable that in functional sieve tubes, aphids actually could benefit from inducing a plug. The idea that rising cytosolic Ca(2+) generally triggers sieve tube blockage by P-proteins appears widely accepted, despite lacking experimental support. Even in forisomes, P-protein assemblages restricted to one single plant family and the only Ca(2+)-responsive P-proteins known, the available evidence does not unequivocally suggest that plug formation is the cause rather than a consequence of translocation stoppage. We conclude that the physiological roles of structural P-proteins remain elusive, and that in vivo studies of their dynamics in continuous sieve tube networks combined with flow velocity measurements will be required to (hopefully) resolve this scientific roadblock.

  12. Recent Improvements To the Sieve of Eratosthenes.

    Science.gov (United States)

    Quesada, Antonio R.

    1997-01-01

    Presents recently developed generalizations to the sieve of Eratosthenes, showing the principles underlying these improvements, which increase its efficiency without changing too much of its simplicity. Offers several possibilities to propose good investigations for students to explore, find patterns, and make generalizations. (JRH)

  13. On the amount of sieving in factorization methods

    NARCIS (Netherlands)

    Ekkelkamp, Willemina Hendrika

    2010-01-01

    Factorization methods, such as the quadratic sieve and the number field sieve, spend a lot of time on the sieving step, in which the necessary relations are collected for factoring the given number N. Relations are smooth or k-semismooth numbers (numbers with either all prime factors below some

  14. Design, Construction and Testing of a Dry Sand Sieving Machine ...

    African Journals Online (AJOL)

    This paper reports on the design, construction and Testing of a dry sand sieving machine. The sample to be sieved is uniformly graded. The coefficient of uniformity is 1.11, thus the machine design does not sieve larger particles such as gravel. The slip calculated is 36% which enabled the proper configuration of the V-belt.

  15. Models of Prime-Like Sequences Generated by Least Element Sieve Operations Like the Sieve of Eratosthenes

    OpenAIRE

    Baum, Leonard E.

    2017-01-01

    We suggest other models of sieve generated sequences like the Sieve of Eratosthenes to explain randomness properties of the prime numbers, like the twin prime conjecture, the lim sup conjecture, the Riemann conjecture, and the prime number theorem.

  16. Proton transport in carbonic anhydrase: Insights from molecular simulation.

    Science.gov (United States)

    Maupin, C Mark; Voth, Gregory A

    2010-02-01

    This article reviews the insights gained from molecular simulations of human carbonic anhydrase II (HCA II) utilizing non-reactive and reactive force fields. The simulations with a reactive force field explore protein transfer and transport via Grotthuss shuttling, while the non-reactive simulations probe the larger conformational dynamics that underpin the various contributions to the rate-limiting proton transfer event. Specific attention is given to the orientational stability of the His64 group and the characteristics of the active site water cluster, in an effort to determine both of their impact on the maximal catalytic rate. The explicit proton transfer and transport events are described by the multistate empirical valence bond (MS-EVB) method, as are alternative pathways for the excess proton charge defect to enter/leave the active site. The simulation results are interpreted in light of experimental results on the wild-type enzyme and various site-specific mutations of HCA II in order to better elucidate the key factors that contribute to its exceptional efficiency. Copyright 2009 Elsevier B.V. All rights reserved.

  17. Activated Carbon Composites for Air Separation

    Energy Technology Data Exchange (ETDEWEB)

    Contescu, Cristian I [ORNL; Baker, Frederick S [ORNL; Tsouris, Costas [ORNL; McFarlane, Joanna [ORNL

    2008-03-01

    In continuation of the development of composite materials for air separation based on molecular sieving properties and magnetic fields effects, several molecular sieve materials were tested in a flow system, and the effects of temperature, flow conditions, and magnetic fields were investigated. New carbon materials adsorbents, with and without pre-loaded super-paramagnetic nanoparticles of Fe3O4 were synthesized; all materials were packed in chromatographic type columns which were placed between the poles of a high intensity, water-cooled, magnet (1.5 Tesla). In order to verify the existence of magnetodesorption effect, separation tests were conducted by injecting controlled volumes of air in a flow of inert gas, while the magnetic field was switched on and off. Gas composition downstream the column was analyzed by gas chromatography and by mass spectrometry. Under the conditions employed, the tests confirmed that N2 - O2 separation occurred at various degrees, depending on material's intrinsic properties, temperature and flow rate. The effect of magnetic fields, reported previously for static conditions, was not confirmed in the flow system. The best separation was obtained for zeolite 13X at sub-ambient temperatures. Future directions for the project include evaluation of a combined system, comprising carbon and zeolite molecular sieves, and testing the effect of stronger magnetic fields produced by cryogenic magnets.

  18. Dielectric constants of binary mixtures of propylene carbonate with dimethyl carbonate and ethylene carbonate from molecular dynamics simulation: comparison between non-polarizable and polarizable force fields

    Science.gov (United States)

    Lee, Sanghun; Park, Sung Soo

    2013-01-01

    Using non-polarizable and polarizable molecular dynamics simulations, binary mixtures of propylene carbonate + dimethyl carbonate and propylene carbonate + ethylene carbonate with various compositions were investigated. The polarizable model produces more reasonable estimation of dielectric constants than the non-polarizable model; however, combining the electronic continuum model with the non-polarizable MD improves the comparison between the two models. Fair agreement was found between the results from these simulations and available experimental data. In addition, for a better understanding of the mixing behaviour, the excess dielectric constants over the entire composition were calculated. By comparison of the two mixtures in various mole fractions, distinctive mixing behaviours of propylene carbonate + dimethyl carbonate (poorly symmetric mixture) and propylene carbonate + ethylene carbonate (highly symmetric mixture) were observed.

  19. Molecular dynamics simulations of amorphous hydrogenated carbon under high hydrogen fluxes

    NARCIS (Netherlands)

    de Rooij, E. D.; von Toussaint, U.; Kleyn, A. W.; W. J. Goedheer,

    2009-01-01

    We study the flux dependence of the carbon erosion yield and the hydrogen enrichment of the surface in the high flux regime at 10(28) ions per m(2) s and higher by using molecular dynamics (MD). We simulate an amorphous hydrogenated carbon sample exposed to high flux hydrogen bombardment with a

  20. Dynamac molecular structure of plant biomass-derived black carbon (Biochar)

    Science.gov (United States)

    Char black carbon (BC), the solid residue of incomplete combustion, is continuously being added to soils and sediments due to natural vegetation fires, anthropogenic pollution, and new strategies for carbon sequestration (“biochar”). Here we present a molecular-level assessment o...

  1. On the high charge-carrier mobility in polyaniline molecular channels in nanogaps between carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Emelianov, A. V., E-mail: emmsowton@gmail.com; Romashkin, A. V.; Tsarik, K. A. [National Research University of Electronic Technology (MIET) (Russian Federation); Nasibulin, A. G. [Skolkovo Institute of Science and Technology (Russian Federation); Nevolin, V. K.; Bobrinetskiy, I. I. [National Research University of Electronic Technology (MIET) (Russian Federation)

    2017-04-15

    This study is devoted to the fabrication of molecular semiconductor channels based on polymer molecules with nanoscale electrodes made of single-walled carbon nanotubes. A reproducible technology for forming nanoscale gaps in carbon nanotubes using a focused Ga{sup +} ion beam is proposed. Polyaniline molecules are deposited into nanogaps up to 30 nm wide between nanotubes by electrophoresis from N-methyl-2-pyrrolidone solution. As a result, molecular organic transistors are fabricated, in which the field effect is studied and the molecular-channel mobility is determined as 0.1 cm{sup 2}/(V s) at an on/off current ratio of 5 × 10{sup 2}.

  2. Molecular simulation of polycyclic aromatic hydrocarbon sorption to black carbon

    NARCIS (Netherlands)

    Haftka, J.J.H.; Parsons, J.R.; Govers, H.A.J.

    2009-01-01

    Strong sorption of hydrophobic organic contaminants to soot or black carbon (BC) is an important environmental process limiting the bioremediation potential of contaminated soils and sediments. Reliable methods to predict BC sorption coefficients for organic contaminants are therefore required. A

  3. Dehydrogenative [2 + 2 + 1] Heteroannulation Using a Methyl Group as a One-Carbon Unit: Access to Pyrazolo[3,4-c]quinolines.

    Science.gov (United States)

    Deng, Guo-Bo; Li, Hai-Bing; Yang, Xu-Heng; Song, Ren-Jie; Hu, Ming; Li, Jin-Heng

    2016-05-06

    A practical and straightforward access to pyrazolo[3,4-c]quinolines by molecular sieve mediated dehydrogenative [2 + 2 + 1] heteroannulation of N-(o-alkenylaryl)imines with aryldiazonium salts is described using a sp(3)-hybrid carbon atom as a one-carbon unit. The reaction enables the formation of three new chemical bonds, a C-C bond and two C-N bonds, in a single reaction and features simple operation and excellent functional group tolerance.

  4. Adsorption of aromatic compounds by carbonaceous adsorbents: a comparative study on granular activated carbon, activated carbon fiber, and carbon nanotubes.

    Science.gov (United States)

    Zhang, Shujuan; Shao, Ting; Kose, H Selcen; Karanfil, Tanju

    2010-08-15

    Adsorption of three aromatic organic compounds (AOCs) by four types of carbonaceous adsorbents [a granular activated carbon (HD4000), an activated carbon fiber (ACF10), two single-walled carbon nanotubes (SWNT, SWNT-HT), and a multiwalled carbon nanotube (MWNT)] with different structural characteristics but similar surface polarities was examined in aqueous solutions. Isotherm results demonstrated the importance of molecular sieving and micropore effects in the adsorption of AOCs by carbonaceous porous adsorbents. In the absence of the molecular sieving effect, a linear relationship was found between the adsorption capacities of AOCs and the surface areas of adsorbents, independent of the type of adsorbent. On the other hand, the pore volume occupancies of the adsorbents followed the order of ACF10 > HD4000 > SWNT > MWNT, indicating that the availability of adsorption site was related to the pore size distributions of the adsorbents. ACF10 and HD4000 with higher microporous volumes exhibited higher adsorption affinities to low molecular weight AOCs than SWNT and MWNT with higher mesopore and macropore volumes. Due to their larger pore sizes, SWNTs and MWNTs are expected to be more efficient in adsorption of large size molecules. Removal of surface oxygen-containing functional groups from the SWNT enhanced adsorption of AOCs.

  5. Sieving for rational points on hyperelliptic curves

    OpenAIRE

    Siksek, Samir

    2001-01-01

    We give a new and efficient method of sieving for rational points\\ud on hyperelliptic curves. This method is often successful in proving that a\\ud given hyperelliptic curve, suspected to have no rational points, does in fact\\ud have no rational points; we have often found this to be the case even when our\\ud curve has points over all localizations Qp. We illustrate the practicality of the\\ud method with some examples of hyperelliptic curves of genus 1.

  6. On ciliary pumping and sieving in bryozoans

    DEFF Research Database (Denmark)

    Larsen, Poul Scheel; Riisgård, H. U.

    2002-01-01

    Based on video-microscope observations of trajectories of particles in the feeding currents of individual isolated bryozoans Bowerbankia imbricata, Flustrellidra hispida and Electra pilosa the velocity fields above and in the lophophore have been determined. The flow into the lophophore, which...... in the absence of a particle. This is hypothesised to stimulate the sensing mechanism triggering observed flicks. The energy cost of pumping is estimated at 1 to 4% of the metabolic power of a "standard" zooid. Keywords: Feeding in bryozoans; Flow in lophophore; Ciliary sieving; Particle retention; Bryozoan...

  7. Effect of molecular weight on the electrophoretic deposition of carbon black nanoparticles in moderately viscous systems.

    Science.gov (United States)

    Modi, Satyam; Panwar, Artee; Mead, Joey L; Barry, Carol M F

    2013-08-06

    Electrophoretic deposition from viscous media has the potential to produce in-mold assembly of nanoparticles onto three-dimensional parts in high-rate, polymer melt-based processes like injection molding. The effects of the media's molecular weight on deposition behavior were investigated using a model system of carbon black and polystyrene in tetrahydrofuran. Increases in molecular weight reduced the electrophoretic deposition of the carbon black particles due to increases in suspension viscosity and preferential adsorption of the longer polystyrene chains on the carbon black particles. At low deposition times (≤5 s), only carbon black deposited onto the electrodes, but the deposition decreased with increasing molecular weight and the resultant increases in suspension viscosity. For longer deposition times, polystyrene codeposited with the carbon black, with the amount of polystyrene increasing with molecular weight and decreasing with greater charge on the polystyrene molecules. This deposition behavior suggests that use of lower molecular polymers and control of electrical properties will permit electrophoretic deposition of nanoparticles from polymer melts for high-rate, one-step fabrication of nano-optical devices, biochemical sensors, and nanoelectronics.

  8. Carbon Nanomembranes

    Science.gov (United States)

    Angelova, Polina; Gölzhäuser, Armin

    2017-03-01

    This chapter describes the formation and properties of one nanometer thick carbon nanomembranes (CNMs), made by electron induced cross-linking of aromatic self-assembled monolayers (SAMs). The cross-linked SAMs are robust enough to be released from the surface and placed on solid support or over holes as free-standing membranes. Annealing at 1000K transforms CNMs into graphene accompanied by a change of mechanical stiffness and electrical resistance. The developed fabrication approach is scalable and provides molecular level control over thickness and homogeneity of the produced CNMs. The mechanisms of electron-induced cross-linking process are discussed in details. A variety of polyaromatic thiols: oligophenyls as well as small and extended condensed polycyclic hydrocarbons have been successfully employed, demonstrating that the structural and functional properties of the resulting nanomembranes are strongly determined by the structure of molecular monolayers. The mechanical properties of CNMs (Young's modulus, tensile strength and prestress) are characterized by bulge testing. The interpretation of the bulge test data relates the Young's modulus to the properties of single molecules and to the structure of the pristine SAMs. The gas transport through the CNM is measured onto polydimethylsiloxane (PDMS) - thin film composite membrane. The established relationship of permeance and molecular size determines the molecular sieving mechanism of permeation through this ultrathin sheet.

  9. Reactions of carbon atoms in pulsed molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Reisler, H. [Univ. of Southern California, Los Angeles (United States)

    1993-12-01

    This research program consists of a broad scope of experiments designed to unravel the chemistry of atomic carbon in its two spin states, P and D, by using well-controlled initial conditions and state-resolved detection of products. Prerequisite to the proposed studies (and the reason why so little is known about carbon atom reactions), is the development of clean sources of carbon atoms. Therefore, in parallel with the studies of its chemistry and reaction dynamics, the authors continuously explore new, state-specific and efficient ways of producing atomic carbon. In the current program, C({sup 3}P) is produced via laser ablation of graphite, and three areas of study are being pursued: (i) exothermic reactions with small inorganic molecules (e.g., O{sub 2}, N{sub 2}O, NO{sub 2}) that can proceed via multiple pathways; (ii) the influence of vibrational and translational energy on endothermic reactions involving H-containing reactants that yield CH products (e.g., H{sub 2}O H{sub 2}CO); (iii) reactions of C({sup 3}P) with free radicals (e.g., HCO, CH{sub 3}O). In addition, the authors plan to develop a source of C({sup 1}D) atoms by exploiting the pyrolysis of diazotetrazole and its salts in the ablation source. Another important goal involves collaboration with theoreticians in order to obtain relevant potential energy surfaces, rationalize the experimental results and predict the roles of translational and vibrational energies.

  10. Arithmetical aspects of the large sieve inequality

    CERN Document Server

    2009-01-01

    This book is an elaboration of a series of lectures given at the Harish-Chandra Research Institute. The reader will be taken through a journey on the arithmetical sides of the large sieve inequality when applied to the Farey dissection. This will reveal connections between this inequality, the Selberg sieve and other less used notions like pseudo-characters and the $\\Lambda_Q$-function, as well as extend these theories. One of the leading themes of these notes is the notion of so-called\\emph{local models} that throws a unifying light on the subject. As examples and applications, the authors present, among other things, an extension of the Brun-Tichmarsh Theorem, a new proof of Linnik's Theorem on quadratic residues and an equally novel one of the Vinogradov three primes Theorem; the authors also consider the problem of small prime gaps, of sums of two squarefree numbers and several other ones, some of them being new, like a sharp upper bound for the number of twin primes $p$ that are such that $p+1$ is square...

  11. A simple and inexpensive "cell dissociation sieve-tissue grinder" apparatus.

    Science.gov (United States)

    Pai, K; Sundar, S

    2001-05-01

    A simple and inexpensive cell dissociation sieve-tissue grinder apparatus consisting essentially of stainless steel sieve (the one popularly used for sieving tea leaves) and a glass syringe plunger acting as pestle, is described for making single cell suspension.

  12. The Molecular Design of High-Performance Carbon Materials

    Science.gov (United States)

    2008-06-30

    molecular makeup . The overall mol wt distribution of the dimer fraction is also approximately Gaussian, and the most prevalent species are consistent...accessed June 2008). 20] Silverstein RM, Webster FX , Kiemie D. Spectrometric Identification of Organic Compounds, 7th Edition. John Wiley & Sons Ltd

  13. Molecular motion in restricted geometries

    Indian Academy of Sciences (India)

    industry as molecular sieves and catalysts. Both the catalytic as well as the sieving applications of the zeolites depend upon the diffusivities of the ... alkyl chains in monolayer-protected metal clusters, which exhibit reverse confine- ment in the sense that the confining media is in motion in contrast to the confined clusters, are ...

  14. Computational sieving applied to some classical number-theoretic problems

    NARCIS (Netherlands)

    H.J.J. te Riele (Herman)

    1998-01-01

    textabstractMany problems in computational number theory require the application of some sieve. Efficient implementation of these sieves on modern computers has extended our knowledge of these problems considerably. This is illustrated by three classical problems: the Goldbach conjecture, factoring

  15. Design, Construction and Testing of a Dry Sand Sieving Machine ...

    African Journals Online (AJOL)

    Michael Horsfall

    www.ajol.info and www.bioline.org.br/ja. Design, Construction and Testing of a Dry Sand Sieving Machine. OLADEJI AKANNI OGUNWOLE. Department of Mechanical Engineering, Federal University of Technology, Minna, Nigeria. ABSTRACT: This paper reports on the design, construction and Testing of a dry sand sieving.

  16. Synthesis of Heteroaromatic Compounds by Oxidative Aromatization Using an Activated Carbon/Molecular Oxygen System

    Directory of Open Access Journals (Sweden)

    Masahiko Hayashi

    2009-08-01

    Full Text Available A variety of heteroaromatic compounds, such as substituted pyridines, pyrazoles, indoles, 2-substituted imidazoles, 2-substituted imidazoles, 2-arylbenzazoles and pyrimidin-2(1H-ones are synthesized by oxidative aromatization using the activated carbon and molecular oxygen system. Mechanistic study focused on the role of activated carbon in the synthesis of 2-arylbenzazoles is also discussed. In the final section, we will disclose the efficient synthesis of substituted 9,10-anthracenes via oxidative aromatization.

  17. Role of Surfactant Molecular Structure on Self Assembly: Aqueous SDBS on Carbon Nanotubes

    Science.gov (United States)

    Suttipong, Manaswee; Thompson, John R.; Tummala, Naga Rajesh; Kitiyanan, Boonyarach; Striolo, Alberto

    2011-03-01

    Stabilizing aqueous dispersions of carbon nanotubes mono-dispersed in diameter and chirality remains elusive. Surfactants have proven useful in deploying ultra-centrifugation techniques, but the molecular mechanism responsible for their effectiveness remains not fully understood. Based on a number of recent molecular simulation results, including those from our group, it appears that the morphology of the self-assembled surfactant aggregates on the carbon nanotubes strongly affects the effective potential of mean force between pairs of interacting carbon nanotubes. In this work we explore the effect of surfactant molecular structure on the properties of aqueous surfactant self-assembled aggregates. We employ equilibrium all-atom molecular dynamics simulations. We consider the surfactant SDBS (sodium dodecyl benzene sulfonate) with benzene ring located on the fifth or on the twelfth carbon atom in the tail, and the surfactant AOT [sodium bis(2-ethylhexyl) sulfosuccinate]. The simulations are conducted at room conditions for different surface coverages on (6,6), (12,12), and (20,20) single walled carbon nanotubes. These new results will help us identify the surfactant properties that allow us to manipulate nanotube-nanotube effective interactions. Research supported by the Department of Energy via CANTEC.

  18. Sieving wastewater--cellulose recovery, economic and energy evaluation.

    Science.gov (United States)

    Ruiken, C J; Breuer, G; Klaversma, E; Santiago, T; van Loosdrecht, M C M

    2013-01-01

    Application of fine-mesh sieves (wastewater treatment gives an opportunity to recover resources and increase sustainability of wastewater treatment processes. Sieves are traditionally used for single stage mechanical treatment (typical mesh of 0.35 mm) or in combination with an MBR (typical mesh >0.7 mm). When sieves with a mesh of 0.35 mm are used on raw sewage we observed that cellulose fibres mainly originating from toilet paper are removed efficiently from the influent with a high recovery and purity. The application of sieves as pretreatment for conventional activated sludge processes has been evaluated based on pilot plant research at three WWTPs in the Netherlands. With sieving applied to the dry weather flow only the overall energy usage of the WWTP including sludge treatment can be decreased by at least 40% with a payback time of 7 years. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. Molecular investigations into a globally important carbon pool: permafrost-protected carbon in Alaskan soils

    Science.gov (United States)

    M.P. Waldrop; K.P. Wickland; R. White; A.A. Berhe; J.W. Harden; V.E. Romanovsky

    2010-01-01

    The fate of carbon (C) contained within permafrost in boreal forest environments is an important consideration for the current and future carbon cycle as soils warm in northern latitudes. Currently, little is known about the microbiology or chemistry of permafrost soils that may affect its decomposition once soils thaw. We tested the hypothesis that low microbial...

  20. Structure Controlled Long-Range Sequential Tunneling in Carbon-Based Molecular Junctions.

    Science.gov (United States)

    Morteza Najarian, Amin; McCreery, Richard L

    2017-04-25

    Carbon-based molecular junctions consisting of aromatic oligomers between conducting sp(2) hybridized carbon electrodes exhibit structure-dependent current densities (J) when the molecular layer thickness (d) exceeds ∼5 nm. All four of the molecular structures examined exhibit an unusual, nonlinear ln J vs bias voltage (V) dependence which is not expected for conventional coherent tunneling or activated hopping mechanisms. All molecules exhibit a weak temperature dependence, with J increasing typically by a factor of 2 over the range of 200-440 K. Fluorene and anthraquinone show linear plots of ln J vs d with nearly identical J values for the range d = 3-10 nm, despite significant differences in their free-molecule orbital energy levels. The observed current densities for anthraquinone, fluorene, nitroazobenzene, and bis-thienyl benzene for d = 7-10 nm show no correlation with occupied (HOMO) or unoccupied (LUMO) molecular orbital energies, contrary to expectations for transport mechanisms based on the offset between orbital energies and the electrode Fermi level. UV-vis absorption spectroscopy of molecular layers bonded to carbon electrodes revealed internal energy levels of the chemisorbed films and also indicated limited delocalization in the film interior. The observed current densities correlate well with the observed UV-vis absorption maxima for the molecular layers, implying a transport mechanism determined by the HOMO-LUMO energy gap. We conclude that transport in carbon-based aromatic molecular junctions is consistent with multistep tunneling through a barrier defined by the HOMO-LUMO gap, and not by charge transport at the electrode interfaces. In effect, interfacial "injection" at the molecule/electrode interfaces is not rate limiting due to relatively strong electronic coupling, and transport is controlled by the "bulk" properties of the molecular layer interior.

  1. Modeling of the Electro-Mechanical Response of Carbon Nanotubes: Molecular Dynamics and Transport Calculations

    Science.gov (United States)

    Svizhenko, Alexel; Anantram, M. P.; Maiti, Amitesh

    2003-01-01

    This paper presents viewgraphs on the modeling of the electromechanical response of carbon nanotubes, utilizing molecular dynamics and transport calculations. The topics include: 1) Simulations of the experiment; 2) Effect of diameter, length and temperature; and 3) Study of sp3 coordination-"The Table experiment".

  2. Evaluation and selection of sensing materials for carbon dioxide (CO2) sensor by molecular modeling

    NARCIS (Netherlands)

    Chen, X.P.; Wong, C.K.Y.; Yuan, C.A.; Zhang, G.Q.

    2011-01-01

    We report a molecular modeling study to evaluate and select conducting polymers (CPs) as the sensing materials of carbon dioxide (CO2) sensor. The interaction between polymer and gas and the adsorption of the gas molecules in the polymer matrix are investigated. Polymers considered for this work

  3. Evaluation and selection of sensing materials for carbon dioxide (CO 2) sensor by molecular modeling

    NARCIS (Netherlands)

    Chen, X.P.; Wong, C.K.Y.; Yuan, C.A.; Zhang, G.Q.

    2011-01-01

    We report a molecular modeling study to evaluate and select conducting polymers (CPs) as the sensing materials of carbon dioxide (CO2) sensor. The interaction between polymer and gas and the adsorption of the gas molecules in the polymer matrix are investigated. Polymers considered for this work

  4. Structural and chemical evolution of single-wall carbon nanotubes under atomic and molecular deuterium interaction

    NARCIS (Netherlands)

    Lisowski, W.F.; Keim, Enrico G.; van den Berg, A.H.J.; Smithers, M.A.; Smithers, Mark A.

    2005-01-01

    The interaction of atomic (D) and molecular (D2) deuterium, as present in a (D + D2) gas mixture, with single-wall carbon nanotubes (SWNTs) has been studied by means of a combination of scanning electron microscopy, transmission electron microscopy and X-ray photoelectron spectroscopy. The SWNT

  5. Ion sieving in graphene oxide membranes via cationic control of interlayer spacing

    Science.gov (United States)

    Chen, Liang; Shi, Guosheng; Shen, Jie; Peng, Bingquan; Zhang, Bowu; Wang, Yuzhu; Bian, Fenggang; Wang, Jiajun; Li, Deyuan; Qian, Zhe; Xu, Gang; Liu, Gongping; Zeng, Jianrong; Zhang, Lijuan; Yang, Yizhou; Zhou, Guoquan; Wu, Minghong; Jin, Wanqin; Li, Jingye; Fang, Haiping

    2017-10-01

    Graphene oxide membranes—partially oxidized, stacked sheets of graphene—can provide ultrathin, high-flux and energy-efficient membranes for precise ionic and molecular sieving in aqueous solution. These materials have shown potential in a variety of applications, including water desalination and purification, gas and ion separation, biosensors, proton conductors, lithium-based batteries and super-capacitors. Unlike the pores of carbon nanotube membranes, which have fixed sizes, the pores of graphene oxide membranes—that is, the interlayer spacing between graphene oxide sheets (a sheet is a single flake inside the membrane)—are of variable size. Furthermore, it is difficult to reduce the interlayer spacing sufficiently to exclude small ions and to maintain this spacing against the tendency of graphene oxide membranes to swell when immersed in aqueous solution. These challenges hinder the potential ion filtration applications of graphene oxide membranes. Here we demonstrate cationic control of the interlayer spacing of graphene oxide membranes with ångström precision using K+, Na+, Ca2+, Li+ or Mg2+ ions. Moreover, membrane spacings controlled by one type of cation can efficiently and selectively exclude other cations that have larger hydrated volumes. First-principles calculations and ultraviolet absorption spectroscopy reveal that the location of the most stable cation adsorption is where oxide groups and aromatic rings coexist. Previous density functional theory computations show that other cations (Fe2+, Co2+, Cu2+, Cd2+, Cr2+ and Pb2+) should have a much stronger cation–π interaction with the graphene sheet than Na+ has, suggesting that other ions could be used to produce a wider range of interlayer spacings.

  6. Molecular and stable carbon isotopic compositions of hopanoids in seep carbonates from the South China Sea continental slope

    Science.gov (United States)

    Guan, Hongxiang; Sun, Yongge; Mao, Shengyi; Zhu, Xiaowei; Wu, Nengyou

    2014-10-01

    The lipid biomarkers of hopanoids in cold seep carbonates from the South China Sea continental slope were investigated by gas chromatography-mass spectrometer (GC-MS) and gas chromatography-isotope ratio-mass spectrometer (GC-ir-MS). The distribution of hopanes/hopenes shows a preference for the ‘biological’ 17β(H), 21β(H)-over the ‘geological’ 17α(H), 21β(H)-configuration. This interpretation is in agreement with the strong odd-even preference of long-chain n-alkanes in those samples, suggesting that the ββ hopanes may be the early diagenetic products of biohopanoids and the αβ, βα configurations of hopanes were mainly derived from allochthonous sources contributing to the organic matter of the carbonates. In terms of hopanoid acids, the C30 to C33 17β(H), 21β(H)-hopanoid acids were detected with C32 17β(H), 21β(H)-hopanoid acid being the most abundant. However, there is a significant difference in stable carbon isotopic compostions of the C32 17β(H), 21β(H)-hopanoic acid among samples (-30.7‰ to -69.8‰). The δ13C values match well with the carbon isotopic compositions of SRB-derived iso-/anteiso-C15:0 fatty acids in the samples, which strongly depend on the carbon utilization types by microbe. The most abundant compound of hopanols detected in the samples, C30-17β(H), 21β(H)-hopanol, may be a good indicator of diagenetic product of type I methanotrophs. The molecular and carbon isotopic compositions of hopanoids demonstrate clearly that there is a combination contribution of both SRB and type I or type X methanotrophs to the source organism in the seep carbonates from the South China Sea continental slope.

  7. Belowground Carbon Cycling Processes at the Molecular Scale: An EMSL Science Theme Advisory Panel Workshop

    Energy Technology Data Exchange (ETDEWEB)

    Hess, Nancy J.; Brown, Gordon E.; Plata, Charity

    2014-02-21

    As part of the Belowground Carbon Cycling Processes at the Molecular Scale workshop, an EMSL Science Theme Advisory Panel meeting held in February 2013, attendees discussed critical biogeochemical processes that regulate carbon cycling in soil. The meeting attendees determined that as a national scientific user facility, EMSL can provide the tools and expertise needed to elucidate the molecular foundation that underlies mechanistic descriptions of biogeochemical processes that control carbon allocation and fluxes at the terrestrial/atmospheric interface in landscape and regional climate models. Consequently, the workshop's goal was to identify the science gaps that hinder either development of mechanistic description of critical processes or their accurate representation in climate models. In part, this report offers recommendations for future EMSL activities in this research area. The workshop was co-chaired by Dr. Nancy Hess (EMSL) and Dr. Gordon Brown (Stanford University).

  8. Molecular Dynamics Study of Carbon Nanotubes/Polyamide Reverse Osmosis Membranes: Polymerization, Structure, and Hydration.

    Science.gov (United States)

    Araki, Takumi; Cruz-Silva, Rodolfo; Tejima, Syogo; Takeuchi, Kenji; Hayashi, Takuya; Inukai, Shigeki; Noguchi, Toru; Tanioka, Akihiko; Kawaguchi, Takeyuki; Terrones, Mauricio; Endo, Morinobu

    2015-11-11

    Carbon nanotubes/polyamide (PA) nanocomposite thin films have become very attractive as reverse osmosis (RO) membranes. In this work, we used molecular dynamics to simulate the influence of single walled carbon nanotubes (SWCNTs) in the polyamide molecular structure as a model case of a carbon nanotubes/polyamide nanocomposite RO membrane. It was found that the addition of SWCNTs decreases the pore size of the composite membrane and increases the Na and Cl ion rejection. Analysis of the radial distribution function of water confined in the pores of the membranes shows that SWCNT+PA nanocomposite membranes also exhibit smaller clusters of water molecules within the membrane, thus suggesting a dense membrane structure (SWCNT+PA composite membranes were 3.9% denser than bare PA). The results provide new insights into the fabrication of novel membranes reinforced with tubular structures for enhanced desalination performance.

  9. Diverse Soil Carbon Dynamics Expressed at the Molecular Level

    Science.gov (United States)

    van der Voort, T. S.; Zell, C. I.; Hagedorn, F.; Feng, X.; McIntyre, C. P.; Haghipour, N.; Graf Pannatier, E.; Eglinton, T. I.

    2017-12-01

    The stability and potential vulnerability of soil organic matter (SOM) to global change remain incompletely understood due to the complex processes involved in its formation and turnover. Here we combine compound-specific radiocarbon analysis with fraction-specific and bulk-level radiocarbon measurements in order to further elucidate controls on SOM dynamics in a temperate and subalpine forested ecosystem. Radiocarbon contents of individual organic compounds isolated from the same soil interval generally exhibit greater variation than those among corresponding operationally defined fractions. Notably, markedly older ages of long-chain plant leaf wax lipids (n-alkanoic acids) imply that they reflect a highly stable carbon pool. Furthermore, marked 14C variations among shorter- and longer-chain n-alkanoic acid homologues suggest that they track different SOM pools. Extremes in SOM dynamics thus manifest themselves within a single compound class. This exploratory study highlights the potential of compound-specific radiocarbon analysis for understanding SOM dynamics in ecosystems potentially vulnerable to global change.

  10. Trends in nanoscale mechanics mechanics of carbon nanotubes, graphene, nanocomposites and molecular dynamics

    CERN Document Server

    2014-01-01

    This book contains a collection of the state-of-the-art reviews written by the leading researchers in the areas of nanoscale mechanics, molecular dynamics, nanoscale modeling of nanocomposites and mechanics of carbon nanotubes. No other book has reviews of the recent discoveries such as a nanoscale analog of the Pauli’s principle, i.e., effect of the spatial exclusion of electrons or the SEE effect, a new Registry Matrix Analysis for the nanoscale interfacial sliding and new data on the effective viscosity of interfacial electrons in nanoscale stiction at the interfaces. This volume is also an exceptional resource on the well tested nanoscale modeling of carbon nanotubes and nanocomposites, new nanoscale effects, unique evaluations of the effective thickness of carbon nanotubes under different loads, new data on which size of carbon nanotubes is safer and many other topics. Extensive bibliography concerning all these topics is included along with the lucid short reviews. Numerous illustrations are provided...

  11. Threshold microsclerotial inoculum for cotton verticillium wilt determined through wet-sieving and real-time quantitative PCR.

    Science.gov (United States)

    Wei, Feng; Fan, Rong; Dong, Haitao; Shang, Wenjing; Xu, Xiangming; Zhu, Heqin; Yang, Jiarong; Hu, Xiaoping

    2015-02-01

    Quantification of Verticillium dahliae microsclerotia is an important component of wilt management on a range of crops. Estimation of microsclerotia by dry or wet sieving and plating of soil samples on semiselective medium is a commonly used technique but this method is resource-intensive. We developed a new molecular quantification method based on Synergy Brands (SYBR) Green real-time quantitative polymerase chain reaction of wet-sieving samples (wet-sieving qPCR). This method can detect V. dahliae microsclerotia as low as 0.5 CFU g(-1) of soil. There was a high correlation (r=0.98) between the estimates of conventional plating analysis and the new wet-sieving qPCR method for 40 soil samples. To estimate the inoculum threshold for cotton wilt, >400 soil samples were taken from the rhizosphere of individual plants with or without visual wilt symptoms in experimental and commercial cotton fields at the boll-forming stage. Wilt inoculum was estimated using the wet-sieving qPCR method and related to wilt development. The estimated inoculum threshold varied with cultivar, ranging from 4.0 and 7.0 CFU g(-1) of soil for susceptible and resistant cultivars, respectively. In addition, there was an overall relationship of wilt incidence with inoculum density across 31 commercial fields where a single composite soil sample was taken at each field, with an estimated inoculum threshold of 11 CFU g(-1) of soil. These results suggest that wilt risk can be predicted from the estimated soil inoculum density using the new wet-sieving qPCR method. We recommend the use of 4.0 and 7.0 CFU g(-1) as an inoculum threshold on susceptible and resistant cultivars, respectively, in practical risk prediction schemes.

  12. Molecular dynamics study of radiation damage and microstructure evolution of zigzag single-walled carbon nanotubes under carbon ion incidence

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huan [Department of Nuclear Science & Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing (China); Tang, Xiaobin, E-mail: tangxiaobin@nuaa.edu.cn [Department of Nuclear Science & Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing (China); Jiangsu Key Laboratory of Nuclear Energy Equipment Materials Engineering, Nanjing (China); Chen, Feida; Huang, Hai; Liu, Jian [Department of Nuclear Science & Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing (China); Chen, Da [Department of Nuclear Science & Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing (China); Jiangsu Key Laboratory of Nuclear Energy Equipment Materials Engineering, Nanjing (China)

    2016-07-01

    Highlights: • Various incident sites of CNTs are classified into three types for the first time. • Different ion energies and fluences are considered to study the radiation damage. • CNTs have ability to heal the radiation-induced damage at higher temperature. • Stability of a large-diameter tube excels in a slim one under the same conditions. - Abstract: The radiation damage and microstructure evolution of different zigzag single-walled carbon nanotubes (SWCNTs) were investigated under incident carbon ion by molecular dynamics (MD) simulations. The radiation damage of SWCNTs under incident carbon ion with energy ranging from 25 eV to 1 keV at 300 K showed many differences at different incident sites, and the defect production increased to the maximum value with the increase in incident ion energy, and slightly decreased but stayed fairly stable within the majority of the energy range. The maximum damage of SWCNTs appeared when the incident ion energy reached 200 eV and the level of damage was directly proportional to incident ion fluence. The radiation damage was also studied at 100 K and 700 K and the defect production decreased distinctly with rising temperature because radiation-induced defects would anneal and recombine by saturating dangling bonds and reconstructing carbon network at the higher temperature. Furthermore, the stability of a large-diameter tube surpassed that of a thin one under the same radiation environments.

  13. Aptamer sandwich-based carbon nanotube sensors for single-carbon-atomicresolution detection of non-polar small molecular species

    Science.gov (United States)

    Lee, Joohyung; Jo, Minjoung; Ahn, Ji-Young; Kim, Soyoun; Kim, Tae Hyun; Lee, Dong-Ki; Hong, Seunghun

    2011-03-01

    Portable sensor platforms are crucial for the on-site monitoring of disease-related metabolites, environmental pollutants and food toxicants. However, it is still difficult to build highly-sensitive and selective sensor platforms for small molecular detection. We developed an aptamer sandwich-based carbon nanotube sensor, where aptamers were utilized to capture target molecules as well as to enhance the sensor signals. Using this strategy, we successfully demonstrated the detection of non-polar bisphenol A molecules with a picomolar sensitivity and single-carbon-atomic resolution. Furthermore, by modifying the labeling aptamer with additional biotin, we enhanced the detection limit of our sensors for one hundred times. These results overcome the fundamental limitation of general FET-based sensors and should make a major breakthrough in various applications such as environmental protection and food safety.

  14. A molecular dynamics simulation study for the mechanical properties of different types of carbon nanotubes

    Science.gov (United States)

    Talukdar, Keka; Mitra, Apurba Krishna

    2012-09-01

    Carbon nanotubes have caught tremendous attention of the researchers during the last decade due to their excellent mechanical, electrical, optical and thermal properties. The exploitation of these fibers as reinforcing agents in making strong fiber composites has been a primary research topic in the recent investigations on composite materials. Although the theoretical results are rather optimistic, the goal of achieving high strength of the carbon nanotube composites is still not satisfactorily realized. We report here a comparative study of the mechanical properties of single-walled, multi-walled and bundle of single-walled carbon nanotubes. Their mechanical behavior is investigated by molecular dynamics simulation, considering Brenner's second generation reactive empirical bond order interatomic potential between the carbon atoms making a tube. For a long range interaction, we have defined a weak van der Waals force which acts between different layers of a multi-walled tube or between different tubes of a bundle. Samples of three isolated armchair single-wall carbon nanotubes of different diameters, a multi-wall armchair carbon nanotube and finally a bundle of three armchair single-walled nanotubes of same diameter are taken. Their fracture pattern and buckling behavior are modeled and compared. Significant changes are observed in the mechanical properties of the samples of different types of carbon nanotubes which arise due to the interaction between the shells of a multi-walled tube or the tubes in a bundle.

  15. A cytosolic carbonic anhydrase molecular switch occurs in the gills of metamorphic sea lamprey

    Science.gov (United States)

    Ferreira-Martins, D.; McCormick, Stephen; Campos, A.; Lopes-Marques, M.; Osorio, H.; Coimbra, J.; Castro, L.F.C.; Wilson, Jonthan M

    2016-01-01

    Carbonic anhydrase plays a key role in CO2 transport, acid-base and ion regulation and metabolic processes in vertebrates. While several carbonic anhydrase isoforms have been identified in numerous vertebrate species, basal lineages such as the cyclostomes have remained largely unexamined. Here we investigate the repertoire of cytoplasmic carbonic anhydrases in the sea lamprey (Petromyzon marinus), that has a complex life history marked by a dramatic metamorphosis from a benthic filter-feeding ammocoete larvae into a parasitic juvenile which migrates from freshwater to seawater. We have identified a novel carbonic anhydrase gene (ca19) beyond the single carbonic anhydrase gene (ca18) that was known previously. Phylogenetic analysis and synteny studies suggest that both carbonic anhydrase genes form one or two independent gene lineages and are most likely duplicates retained uniquely in cyclostomes. Quantitative PCR of ca19 and ca18 and protein expression in gill across metamorphosis show that the ca19 levels are highest in ammocoetes and decrease during metamorphosis while ca18 shows the opposite pattern with the highest levels in post-metamorphic juveniles. We propose that a unique molecular switch occurs during lamprey metamorphosis resulting in distinct gill carbonic anhydrases reflecting the contrasting life modes and habitats of these life-history stages.

  16. Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study.

    Science.gov (United States)

    Noroozi, Javad; Paluch, Andrew S

    2017-02-23

    Molecular dynamics simulations were employed to both estimate the solubility of nonelectrolyte solids, such as acetanilide, acetaminophen, phenacetin, methylparaben, and lidocaine, in supercritical carbon dioxide and understand the underlying molecular-level driving forces. The solubility calculations involve the estimation of the solute's limiting activity coefficient, which may be computed using conventional staged free-energy calculations. For the case of lidocaine, wherein the infinite dilution approximation is not appropriate, we demonstrate how the activity coefficient at finite concentrations may be estimated without additional effort using the dilute solution approximation and how this may be used to further understand the solvation process. Combining with experimental pure-solid properties, namely, the normal melting point and enthalpy of fusion, solubilities were estimated. The results are in good quantitative agreement with available experimental data, suggesting that molecular simulations may be a powerful tool for understanding supercritical processes and the design of carbon dioxide-philic molecular systems. Structural analyses were performed to shed light on the microscopic details of the solvation of different functional groups by carbon dioxide and the observed solubility trends.

  17. Centrifugal Sieve for Size-Segregation/ Beneficiation of Regolith Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Utilizing centrifugal force as the primary body-force, combined with both shearing flow and vibratory motion the proposed centrifugal-sieve separators can provide...

  18. Investigations on the antiretroviral activity of carbon nanotubes using computational molecular approach.

    Science.gov (United States)

    Krishnaraj, R Navanietha; Chandran, Saravanan; Pal, Parimal; Berchmans, Sheela

    2014-01-01

    Carbon nanotubes are the interesting class of materials with wide range of applications. They have excellent physical, chemical and electrical properties. Numerous reports were made on the antiviral activities of carbon nanotubes. However the mechanism of antiviral action is still in infancy. Herein we report, our recent novel findings on the molecular interactions of carbon nanotubes with the three key target proteins of HIV using computational chemistry approach. Armchair, chiral and zigzag CNTs were modeled and used as ligands for the interaction studies. The structure of the key proteins involved in HIV mediated infection namely HIV- Vpr, Nef and Gag proteins were collected from the PDB database. The docking studies were performed to quantify the interaction of the CNT with the three different disease targets. Results showed that the carbon nanotubes had high binding affinity to these proteins which confirms the antagonistic molecular interaction of carbon nanotubes to the disease targets. The modeled armchair carbon nanotubes had the binding affinities of -12.4 Kcal/mole, -20 Kcal/mole and -11.7 Kcal/mole with the Vpr, Nef and Gag proteins of HIV. Chiral CNTs also had the maximum affinity of -16.4 Kcal/mole to Nef. The binding affinity of chiral CNTs to Vpr and Gag was found to be -10.9 Kcal/mole and -10.3 Kcal/mole respectively. The zigzag CNTs had the binding affinity of -11.1 Kcal/mole with Vpr, -18.3 Kcal/mole with Nef and -10.9 with Gag respectively. The strong molecular interactions suggest the efficacy of CNTs for targeting the HIV mediated retroviral infections.

  19. Molecular weight-dependent degradation and drug release of surface-eroding poly(ethylene carbonate)

    DEFF Research Database (Denmark)

    Bohr, Adam; Wang, Yingya; Harmankaya, Necati

    2017-01-01

    .7 macrophages) and in vivo (subcutaneous implantation in rats). All investigated samples degraded by means of surface erosion (mass loss, but constant molecular weight), which was accompanied by a predictable, erosion-controlled drug release pattern. Accordingly, the obtained in vitro degradation half......Poly(ethylene carbonate) (PEC) is a unique biomaterial showing significant potential for controlled drug delivery applications. The current study investigated the impact of the molecular weight on the biological performance of drug-loaded PEC films. Following the preparation and thorough...... incubations with cholesterol esterase. Interestingly, SEM analysis indicated a distinct surface erosion process for enzyme-, macrophage- and in vivo-treated polymer films in a molecular weight-dependent manner. Overall, the molecular weight of surface-eroding PEC was identified as an essential parameter...

  20. A Geometric View of the Sieve of Eratosthenes

    OpenAIRE

    Iosif, Alexandru

    2011-01-01

    We study the geometry of the Sieve of Eratosthenes. We introduce some concepts as Focals and Extremes. We find a symmetry in the distribution of the Focals (all the information about the primes is contained into a small set of numbers). We find that there is a geometric order in the Sieve and we give a formula for the greatest remainder that returns the same quotient.

  1. Advanced Nanostructured Molecular Sieves for Energy Efficient Industrial Separations

    Energy Technology Data Exchange (ETDEWEB)

    Kunhao Li, Michael Beaver

    2012-01-18

    Due to the very small relative volatility difference between propane and propylene, current propane/propylene separation by distillation requires very tall distillation towers (150-250 theoretical plates) and large reflux ratios (up to 15), which is considered to be the most energy consuming large-scale separation process. Adsorptive separation processes are widely considered to be more energy-efficient alternatives to distillation. However, slow diffusion kinetics/mass transport rate through the adsorbent bed often limits the performance of such processes, so further improvements are possible if intra-particle mass transfer rates can be improved. Rive Technology, Inc. is developing and commercializing its proprietary mesoporous zeolite technology for catalysis and separation. With well-controlled intracrystalline mesoporosity, diffusion kinetics through such mesoporous zeolite based catalysts is much improved relative to conventional zeolites, leading to significantly better product selectivity. This 'proof-of-principle' project (DE-EE0003470) is intended to demonstrate that Rive mesoporous zeolite technology can be extended and applied in adsorptive propane/propylene separation and lead to significant energy saving compared to the current distillation process. In this project, the mesoporous zeolite Y synthesis technology was successfully extended to X and A zeolites that are more relevant to adsorbent applications. Mesoporosity was introduced to zeolite X and A for the first time while maintaining adequate adsorption capacity. Zeolite adsorbents were tested for liquid phase separation performance using a pulse flow test unit and the test results show that the separation selectivity of the mesoporous zeolite adsorbent is much closer to optimal for a Simulated Moving Bed (SMB) separation process and the enhanced mesoporosity lead to >100% increase of overall mass transport rate for propane and propylene. These improvements will significantly improve the performance of an adsorptive separation unit for propane/propylene separation compared with traditional zeolite adsorbents. The enhanced transport will allow for more efficient utilization of a given adsorbent inventory by reducing process cycle time, allowing a faster production rate with a fixed amount of adsorbent or smaller adsorbent inventory at a fixed production rate. Smaller adsorbent inventory would also lead to significant savings in the capital cost due to smaller footprint of the equipment. Energy consumption calculation, based on the pulse test results for rived NaX zeolite adsorbent, of a hypothetical moderate-scale SMB propane/propylene separation plant that processes 6000 BPSD refinery grade propylene (70% propylene) will consume about 60-80% less energy (both re-boiler and condenser duties) compared to a C3 splitter that process the same amount of feed. This energy saving also translates to a reduction of 30,000-35,000 tons of CO2 emission per year at this moderate processing rate. The enhancement of mass transport achievable by introduction of controlled mesoporosity to the zeolite also opens the door for the technology to be applied to several other adsorption separation processes such as the separation of xylene isomers by SMB, small- and large scale production of O2/N2 from air by pressure swing adsorption, the separation of CO2 from natural gas at natural gas wellheads, and the purification of ultra-high purity H2 from the off gas produced by steam-methane-reforming.

  2. Application of Nanosize Zeolite Molecular Sieves for Medical Oxygen Concentration.

    Science.gov (United States)

    Pan, Mingfei; Omar, Hecham M; Rohani, Sohrab

    2017-07-25

    The development of a portable oxygen concentrator is of prime significance for patients with respiratory problems. This paper presents a portable concentrator prototype design using the pressure/vacuum swing adsorption (PVSA) cycle with a deep evacuation step (-0.82 barg) instead of desorption with purge flow to simplify the oxygen production process. The output of the oxygen concentrator is a ~90 vol % enriched oxygen stream in a continuous adsorption and desorption cycle (cycle time ~90 s). The size of the adsorption column is 3 cm in diameter and 20 cm in length. A Li⁺ exchanged 13X nanosize zeolite is used as the adsorbent to selectively adsorb nitrogen from air. A dynamic model of the pressure and vacuum swing adsorption units was developed to study the pressurization and depressurization process inside the microporous area of nanosized zeolites. The describing equations were solved using COMSOL Multiphysics Chemical Engineering module. The output flow rate and oxygen concentration results from the simulation model were compared with the experimental data. Velocity and concentration profiles were obtained to study the adsorption process and optimize the operational parameters.

  3. Mesoporous molecular sieve MCM-41 catalyzed one-pot synthesis ...

    African Journals Online (AJOL)

    An efficient synthesis of 3,4-dihydro-2(1H)-pyrimidinones and -thiones using MCM-41 as the catalyst from an aldehyde, β-keto ester, and urea or thiourea under solvent-free conditions is described. KEY WORDS: Biginelli reaction, Dihydropyrimidinones, MCM-41, One-pot, Reusable. Bull. Chem. Soc. Ethiop. 2011, 25(2) ...

  4. Transformation of metal-organic frameworks for molecular sieving membranes

    OpenAIRE

    Li, Wanbin; Zhang, Yufan; Zhang, Congyang; Meng, Qin; Xu, Zehai; Su, Pengcheng; Li, Qingbiao; Chong SHEN; Fan, Zheng; Qin, Lei; Zhang, Guoliang

    2016-01-01

    The development of simple, versatile strategies for the synthesis of metal-organic framework (MOF)-derived membranes are of increasing scientific interest, but challenges exist in understanding suitable fabrication mechanisms. Here we report a route for the complete transformation of a series of MOF membranes and particles, based on multivalent cation substitution. Through our approach, the effective pore size can be reduced through the immobilization of metal salt residues in the cavities, a...

  5. Application of Nanosize Zeolite Molecular Sieves for Medical Oxygen Concentration

    Directory of Open Access Journals (Sweden)

    Mingfei Pan

    2017-07-01

    Full Text Available The development of a portable oxygen concentrator is of prime significance for patients with respiratory problems. This paper presents a portable concentrator prototype design using the pressure/vacuum swing adsorption (PVSA cycle with a deep evacuation step (−0.82 barg instead of desorption with purge flow to simplify the oxygen production process. The output of the oxygen concentrator is a ~90 vol % enriched oxygen stream in a continuous adsorption and desorption cycle (cycle time ~90 s. The size of the adsorption column is 3 cm in diameter and 20 cm in length. A Li+ exchanged 13X nanosize zeolite is used as the adsorbent to selectively adsorb nitrogen from air. A dynamic model of the pressure and vacuum swing adsorption units was developed to study the pressurization and depressurization process inside the microporous area of nanosized zeolites. The describing equations were solved using COMSOL Multiphysics Chemical Engineering module. The output flow rate and oxygen concentration results from the simulation model were compared with the experimental data. Velocity and concentration profiles were obtained to study the adsorption process and optimize the operational parameters.

  6. Molecular weight-dependent degradation and drug release of surface-eroding poly(ethylene carbonate)

    DEFF Research Database (Denmark)

    Bohr, Adam; Wang, Yingya; Harmankaya, Necati

    2017-01-01

    Poly(ethylene carbonate) (PEC) is a unique biomaterial showing significant potential for controlled drug delivery applications. The current study investigated the impact of the molecular weight on the biological performance of drug-loaded PEC films. Following the preparation and thorough physicoc......Poly(ethylene carbonate) (PEC) is a unique biomaterial showing significant potential for controlled drug delivery applications. The current study investigated the impact of the molecular weight on the biological performance of drug-loaded PEC films. Following the preparation and thorough.......7 macrophages) and in vivo (subcutaneous implantation in rats). All investigated samples degraded by means of surface erosion (mass loss, but constant molecular weight), which was accompanied by a predictable, erosion-controlled drug release pattern. Accordingly, the obtained in vitro degradation half...... incubations with cholesterol esterase. Interestingly, SEM analysis indicated a distinct surface erosion process for enzyme-, macrophage- and in vivo-treated polymer films in a molecular weight-dependent manner. Overall, the molecular weight of surface-eroding PEC was identified as an essential parameter...

  7. Effects of Dry and Wet Sieving of Soil on Identification and Interpretation of Microbial Community Composition

    OpenAIRE

    Blaud, A.; Menon, M.; van der Zaan, B.; Lair, G.J.; Banwart, S.

    2016-01-01

    Soil aggregates are microhabitats for microorganisms, and directly influence microorganisms that live within and are influenced by microorganisms in return. Two methods are used to isolate soil aggregates by their size: dry sieving (sieving air-dried soil) and wet sieving (sieving soil in water). Wet-sieving methods are generally considered to represent separation of aggregate classes that are stable to physical disaggregation in water, a condition considered favorable for protecting soil str...

  8. Localised quantum states of atomic and molecular particles physisorbed on carbon-based nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Kaprálová-Žďánská, Petra Ruth; Trachta, Michal; Bludský, Ota; Špirko, Vladimír

    2014-01-01

    Roč. 141, č. 11 (2014), "114702-1"-"114702-10" ISSN 0021-9606 R&D Projects: GA ČR GAP205/11/0571; GA ČR GAP208/11/0436; GA ČR GAP208/10/0725 Institutional support: RVO:68378271 ; RVO:61388963 Keywords : periodic structure * carbon nanostructures * graphene * quantum mechanics * physisorbed Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 2.952, year: 2014

  9. Molecular and morphological characterization of hydrochar produced by microwave-assisted hydrothermal carbonization of cellulose.

    OpenAIRE

    Marcela Guiotoku; Fabricio Augusto Hansel; Etelvino Henrique Novotny; Claudia Maria Branco de Freitas Maia

    2012-01-01

    The objective of this work was to characterize the morphology and molecular composition of the hydrochar produced by microwave-assisted hydrothermal carbonization of cellulose. The produced hydrochar consists mainly of aggregate microspheres with about 2.0 µm in diameter, with aliphatic and aromatic structures and the presence of carbonyl functional groups. The aromatic groups are formed mainly by benzofuran-like structures, being chemically different from common cellulose char. Microwave-ass...

  10. An Atomistic Carbide-Derived Carbon Model Generated Using ReaxFF-Based Quenched Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Matthew W. Thompson

    2017-10-01

    Full Text Available We report a novel atomistic model of carbide-derived carbons (CDCs, which are nanoporous carbons with high specific surface areas, synthesis-dependent degrees of graphitization, and well-ordered, tunable porosities. These properties make CDCs viable substrates in several energy-relevant applications, such as gas storage media, electrochemical capacitors, and catalytic supports. These materials are heterogenous, non-ideal structures and include several important parameters that govern their performance. Therefore, a realistic model of the CDC structure is needed in order to study these systems and their nanoscale and macroscale properties with molecular simulation. We report the use of the ReaxFF reactive force field in a quenched molecular dynamics routine to generate atomistic CDC models. The pair distribution function, pore size distribution, and adsorptive properties of this model are reported and corroborated with experimental data. Simulations demonstrate that compressing the system after quenching changes the pore size distribution to better match the experimental target. Ring size distributions of this model demonstrate the prevalence of non-hexagonal carbon rings in CDCs. These effects may contrast the properties of CDCs against those of activated carbons with similar pore size distributions and explain higher energy densities of CDC-based supercapacitors.

  11. In silico carbon molecular beam epitaxial growth of graphene on the h-BN substrate: carbon source effect on van der Waals epitaxy

    Science.gov (United States)

    Lee, Jonghoon; Varshney, Vikas; Park, Jeongho; Farmer, Barry L.; Roy, Ajit K.

    2016-05-01

    Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon molecular beam epitaxy (CMBE) techniques using solid carbon sublimation have reported relatively poor quality of the graphene. In this article, the CMBE growth of graphene on the h-BN substrate is numerically studied in order to identify the effect of the carbon source on the quality of the graphene film. The carbon molecular beam generated by the sublimation of solid carbon source materials such as graphite and glassy carbon is mostly composed of atomic carbon, carbon dimers and carbon trimers. Therefore, the graphene film growth becomes a complex process involving various deposition characteristics of a multitude of carbon entities. Based on the study of surface adsorption and film growth characteristics of these three major carbon entities comprising graphite vapour, we report that carbon trimers convey strong traits of vdW epitaxy prone to high quality graphene growth, while atomic carbon deposition is a surface-reaction limited process accompanied by strong chemisorption. The vdW epitaxial behaviour of carbon trimers is found to be substantial enough to nucleate and develop into graphene like planar films within a nanosecond of high flux growth simulation, while reactive atomic carbons tend to impair the structural integrity of the crystalline h-BN substrate upon deposition to form an amorphous interface between the substrate and the growing carbon film. The content of reactive atomic carbons in the molecular beam is suspected to be the primary cause of low quality graphene reported in the literature. A possible optimization of the molecular beam composition towards the synthesis of better quality graphene films is suggested.Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon

  12. Molecular investigations into a globally important carbon pool: Permafrost-protected carbon in Alaskan soils

    Science.gov (United States)

    Waldrop, M.P.; Wickland, K.P.; White, Rickie; Berhe, A.A.; Harden, J.W.; Romanovsky, V.E.

    2010-01-01

    The fate of carbon (C) contained within permafrost in boreal forest environments is an important consideration for the current and future carbon cycle as soils warm in northern latitudes. Currently, little is known about the microbiology or chemistry of permafrost soils that may affect its decomposition once soils thaw. We tested the hypothesis that low microbial abundances and activities in permafrost soils limit decomposition rates compared with active layer soils. We examined active layer and permafrost soils near Fairbanks, AK, the Yukon River, and the Arctic Circle. Soils were incubated in the lab under aerobic and anaerobic conditions. Gas fluxes at -5 and 5 ??C were measured to calculate temperature response quotients (Q10). The Q10 was lower in permafrost soils (average 2.7) compared with active layer soils (average 7.5). Soil nutrients, leachable dissolved organic C (DOC) quality and quantity, and nuclear magnetic resonance spectroscopy of the soils revealed that the organic matter within permafrost soils is as labile, or even more so, than surface soils. Microbial abundances (fungi, bacteria, and subgroups: methanogens and Basidiomycetes) and exoenzyme activities involved in decomposition were lower in permafrost soils compared with active layer soils, which, together with the chemical data, supports the reduced Q10 values. CH4 fluxes were correlated with methanogen abundance and the highest CH4 production came from active layer soils. These results suggest that permafrost soils have high inherent decomposability, but low microbial abundances and activities reduce the temperature sensitivity of C fluxes. Despite these inherent limitations, however, respiration per unit soil C was higher in permafrost soils compared with active layer soils, suggesting that decomposition and heterotrophic respiration may contribute to a positive feedback to warming of this eco region. Published 2010. This article is a US Government work and is in the public domain in the

  13. Molecular investigations into a globally important carbon pool: permafrost-protected carbon in Alaskan soils

    Energy Technology Data Exchange (ETDEWEB)

    Waldrop, Mark P.; Wickland, Kimberly P.; White III, R.; Berhe, Asmeret A.; Harden, Jennifer W.; Romanovsky, Vladimir E.

    2010-09-01

    The fate of carbon (C) contained within permafrost in boreal forest environments is an important consideration for the current and future carbon cycle as soils warm in northern latitudes. Currently, little is known about the microbiology or chemistry of permafrost soils that may affect its decomposition once soils thaw. We tested the hypothesis that low microbial abundances and activities in permafrost soils limit decomposition rates compared with active layer soils. We examined active layer and permafrost soils near Fairbanks, AK, the Yukon River, and the Arctic Circle. Soils were incubated in the lab under aerobic and anaerobic conditions. Gas fluxes at -5 and 5ºC were measured to calculate temperature response quotients (Q₁₀). The Q₁₀ was lower in permafrost soils (average 2.7) compared with active layer soils (average 7.5). Soil nutrients, leachable dissolved organic C (DOC) quality and quantity, and nuclear magnetic resonance spectroscopy of the soils revealed that the organic matter within permafrost soils is as labile, or even more so, than surface soils. Microbial abundances (fungi, bacteria, and subgroups: methanogens and Basidiomycetes) and exoenzyme activities involved in decomposition were lower in permafrost soils compared with active layer soils, which, together with the chemical data, supports the reduced Q₁₀ values. CH₄ fluxes were correlated with methanogen abundance and the highest CH₄ production came from active layer soils. These results suggest that permafrost soils have high inherent decomposability, but low microbial abundances and activities reduce the temperature sensitivity of C fluxes. Despite these inherent limitations, however, respiration per unit soil C was higher in permafrost soils compared with active layer soils, suggesting that decomposition and heterotrophic respiration may contribute to a positive feedback to warming of this eco region.

  14. Carbon nanotube-liposome supramolecular nanotrains for intelligent molecular-transport systems.

    Science.gov (United States)

    Miyako, Eijiro; Kono, Kenji; Yuba, Eiji; Hosokawa, Chie; Nagai, Hidenori; Hagihara, Yoshihisa

    2012-01-01

    Biological network systems, such as inter- and intra-cellular signalling systems, are handled in a sophisticated manner by the transport of molecular information. Over the past few decades, there has been a growing interest in the development of synthetic molecular-transport systems. However, several key technologies have not been sufficiently realized to achieve optimum performance of transportation methods. Here we show that a new type of supramolecular system comprising of carbon nanotubes and liposomes enables the directional transport and controlled release of carrier molecules, and allows an enzymatic reaction at a desired area. The study highlights important progress that has been made towards the development of biomimetic molecular-transport systems and various lab-on-a-chip applications, such as medical diagnosis, sensors, bionic computers and artificial biological networks.

  15. Carbon Electrode-Molecule Junctions: A Reliable Platform for Molecular Electronics.

    Science.gov (United States)

    Jia, Chuancheng; Ma, Bangjun; Xin, Na; Guo, Xuefeng

    2015-09-15

    The development of reliable approaches to integrate individual or a small collection of molecules into electrical nanocircuits, often termed "molecular electronics", is currently a research focus because it can not only overcome the increasing difficulties and fundamental limitations of miniaturization of current silicon-based electronic devices, but can also enable us to probe and understand the intrinsic properties of materials at the atomic- and/or molecular-length scale. This development might also lead to direct observation of novel effects and fundamental discovery of physical phenomena that are not accessible by traditional materials or approaches. Therefore, researchers from a variety of backgrounds have been devoting great effort to this objective, which has started to move beyond simple descriptions of charge transport and branch out in different directions, reflecting the interdisciplinarity. This Account exemplifies our ongoing interest and great effort in developing efficient lithographic methodologies capable of creating molecular electronic devices through the combination of top-down micro/nanofabrication with bottom-up molecular assembly. These devices use nanogapped carbon nanomaterials (such as single-walled carbon nanotubes (SWCNTs) and graphene), with a particular focus on graphene, as point contacts formed by electron beam lithography and precise oxygen plasma etching. Through robust amide linkages, functional molecular bridges terminated with diamine moieties are covalently wired into the carboxylic acid-functionalized nanogaps to form stable carbon electrode-molecule junctions with desired functionalities. At the macroscopic level, to improve the contact interface between electrodes and organic semiconductors and lower Schottky barriers, we used SWCNTs and graphene as efficient electrodes to explore the intrinsic properties of organic thin films, and then build functional high-performance organic nanotransistors with ultrahigh responsivities

  16. Theoretical studies of zirconium and carbon clusters with molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Bulin [Iowa State Univ., Ames, IA (United States)

    1993-08-01

    In this dissertation, we will present a systematic study of structures of fullerenes ranging from C20 to C100 by introducing a novel scheme. Using our new scheme, we not only reproduce all known fullerene structures but also successfully predicted several other fullerene structures which were confirmed by experiments. By utilizing the tight-binding molecular-dynamic (TBMD) simulation, we also studied the dynamical behavior of fullerenes: Vibrations, thermal disintegration of individual clusters as well as collisions between fullerenes. If the beauty of carbon fullerene is not enough, people found that carbon can also form tubules and even speculated that they can form three-dimensional graphite-like networks. By extending our fullerene structure searching scheme, we performed a search for the ground-state structure of three dimensional carbon network. We found the most stable structure people ever proposed for simple cubic based networks. From the difference of this new form of carbon and graphite in the electronic and vibrational properties, we propose an experimental probe to identify these novel three-dimensional carbon networks.

  17. Molecular Ultrasound Imaging of Early Vascular Response in Prostate Tumors Irradiated with Carbon Ions

    Directory of Open Access Journals (Sweden)

    Moritz Palmowski

    2009-09-01

    Full Text Available Individualized treatments with combination of radiotherapy and targeted drugs require knowledge about the behavior of molecular targets after irradiation. Angiogenic marker expression has been studied after conventional radiotherapy, but little is known about marker response to charged particles. For the very first time, we used molecular ultrasound imaging to intraindividually track changes in angiogenic marker expression after carbon ion irradiation in experimental tumors. Expression of intercellular adhesion molecule-1 (ICAM-1 and of αvβ3-integrin in subcutaneous AT-1 prostate cancers in rats treated with carbon ions (16 Gy was studied using molecular ultrasound and immunohistochemistry. For this purpose, cyanoacrylate microbubbles were synthesized and linked to specific ligands. The accumulation of targeted microbubbles in tumors was quantified before and 36 hours after irradiation. In addition, tumor vascularization was analyzed using volumetric Doppler ultrasound. In tumors, the accumulation of targeted microbubbles was significantly higher than in nonspecific ones and could be inhibited competitively. Before irradiation, no difference in binding of αvβ3-integrin-specific or ICAM-1-specific microbubbles was observed in treated and untreated animals. After irradiation, however, treated animals showed a significantly higher binding of αvβ3-integrin-specific microbubbles and an enhanced binding of ICAM-1-specific microbubbles than untreated controls. In both groups, a decrease in vascularization occurred during tumor growth, but no significant difference was observed between irradiated and nonirradiated tumors. In conclusion, carbon ion irradiation upregulates ICAM-1 and αvβ3-integrin expression in tumor neovasculature. Molecular ultrasound can indicate the regulation of these markers and thus may help to identify the optimal drugs and time points in individualized therapy regimens.

  18. Effects of Mesh Size on Sieved Samples of Corophium volutator

    Science.gov (United States)

    Crewe, Tara L.; Hamilton, Diana J.; Diamond, Antony W.

    2001-08-01

    Corophium volutator (Pallas), gammaridean amphipods found on intertidal mudflats, are frequently collected in mud samples sieved on mesh screens. However, mesh sizes used vary greatly among studies, raising the possibility that sampling methods bias results. The effect of using different mesh sizes on the resulting size-frequency distributions of Corophium was tested by collecting Corophium from mud samples with 0·5 and 0·25 mm sieves. More than 90% of Corophium less than 2 mm long passed through the larger sieve. A significantly smaller, but still substantial, proportion of 2-2·9 mm Corophium (30%) was also lost. Larger size classes were unaffected by mesh size. Mesh size significantly changed the observed size-frequency distribution of Corophium, and effects varied with sampling date. It is concluded that a 0·5 mm sieve is suitable for studies concentrating on adults, but to accurately estimate Corophium density and size-frequency distributions, a 0·25 mm sieve must be used.

  19. Mesh Algorithms for PDE with Sieve I: Mesh Distribution

    Directory of Open Access Journals (Sweden)

    Matthew G. Knepley

    2009-01-01

    Full Text Available We have developed a new programming framework, called Sieve, to support parallel numerical partial differential equation(s (PDE algorithms operating over distributed meshes. We have also developed a reference implementation of Sieve in C++ as a library of generic algorithms operating on distributed containers conforming to the Sieve interface. Sieve makes instances of the incidence relation, or arrows, the conceptual first-class objects represented in the containers. Further, generic algorithms acting on this arrow container are systematically used to provide natural geometric operations on the topology and also, through duality, on the data. Finally, coverings and duality are used to encode not only individual meshes, but all types of hierarchies underlying PDE data structures, including multigrid and mesh partitions. In order to demonstrate the usefulness of the framework, we show how the mesh partition data can be represented and manipulated using the same fundamental mechanisms used to represent meshes. We present the complete description of an algorithm to encode a mesh partition and then distribute a mesh, which is independent of the mesh dimension, element shape, or embedding. Moreover, data associated with the mesh can be similarly distributed with exactly the same algorithm. The use of a high level of abstraction within the Sieve leads to several benefits in terms of code reuse, simplicity, and extensibility. We discuss these benefits and compare our approach to other existing mesh libraries.

  20. Molecular Simulation of the Diffusion of Uranyl Carbonate Species in Aqueous Solution

    Energy Technology Data Exchange (ETDEWEB)

    Kerisit, Sebastien N.; Liu, Chongxuan

    2010-09-01

    Molecular dynamics simulations of aqueous uranyl carbonate species were carried out with two different potential models to gain molecular-level insight into the hydration properties of these species and evaluate the ability of the two models to reproduce published ab initio and experimental data. The simulation results were used to estimate the self-diffusion coefficients of uranyl carbonate species that often dominate uranyl speciation in groundwater systems. The first potential model was based on a series of shell models developed by Parker and co-workers (including (DE LEEUW and PARKER, 1998; KERISIT and PARKER, 2004; PAVESE et al., 1996). The second potential model was a rigid-ion model based on the flexible SPC water model (TELEMAN et al., 1987), the uranyl model of Guilbaud and Wipff (GUILBAUD and WIPFF, 1996), and the parameters for the carbonate ion given by Greathouse and co-workers (GREATHOUSE and CYGAN, 2005; GREATHOUSE et al., 2002). Analysis of structural (mean interatomic distances and coordination numbers) and dynamical (water residence times in hydration shell and self-diffusion coefficients) properties showed that, overall, the first potential model performed best when compared to published data, although the only major discrepancy with the second model was a misrepresentation of the configuration adopted by the alkaline-earth uranyl carbonate ions. The diffusion coefficients obtained for the alkaline-earth cations and the uranyl ion were compared with three variants of the Stokes-Einstein (SE) equation and it was found that none of the three SE models were able to reproduce both the absolute values and the overall trend determined from the molecular dynamics simulations. However, as would be expected based on the SE equation, a plot of the diffusion coefficients of the uranyl carbonate complexes as a function of the inverse of the equivalent spherical radius showed a general linear dependence with the two models yielding almost identical gradients

  1. Simulating Molecular Interactions of Carbon Nanoparticles with a Double-Stranded DNA Fragment

    Directory of Open Access Journals (Sweden)

    Zhuang Wang

    2015-01-01

    Full Text Available Molecular interactions between carbon nanoparticles (CNPs and a double-stranded deoxyribonucleic acid (dsDNA fragment were investigated using molecular dynamics (MD simulations. Six types of CNPs including fullerenes (C60 and C70, (8,0 single-walled carbon nanotube (SWNT, (8,0 double-walled carbon nanotube (DWNT, graphene quantum dot (GQD, and graphene oxide quantum dot (GOQD were studied. Analysis of the best geometry indicates that the dsDNA fragment can bind to CNPs through pi-stacking and T-shape. Moreover, C60, DWNT, and GOQD bind to the dsDNA molecules at the minor groove of the nucleotide, and C70, SWNT, and GQD bind to the dsDNA molecules at the hydrophobic ends. Estimated interaction energy implies that van der Waals force may mainly contribute to the mechanisms for the dsDNA-C60, dsDNA-C70, and dsDNA-SWNT interactions and electrostatic force may contribute considerably to the dsDNA-DWNT, dsDNA-GQD, and dsDNA-GOQD interactions. On the basis of the results from large-scale MD simulations, it was found that the presence of the dsDNA enhances the dispersion of C60, C70, and SWNT in water and has a slight impact on DWNT, GQD, and GOQD.

  2. Organic Geochemistry of the Hamersley Province: Relationships Among Organic Carbon Isotopes, Molecular Fossils, and Lithology

    Science.gov (United States)

    Eigenbrode, Jennifer L.

    2012-01-01

    Molecular fossils are particularly valuable ancient biosignatures that can provide key insight about microbial sources and ecology in early Earth studies. In particular, hopanes carrying 2-methyl or 3-methyl substituents are proposed to be derived from cyanobacteria and oxygen-respiring methanotrophs, respectively, based on both their modem occurrences and their Proterozoic and Phanerozoic sedimentary distributions. Steranes are likely from ancestral eukaryotes. The distribution of methylhopanes, steranes, and other biomarkers in 2.72-2.56 billion-year-old rocks from the Hamersley Province, Western Australia show relationships to lithology, facies, and isotopes of macromolecular carbon, and other biomarkers. These observations support biomarker syngenicity and thermal maturity. Moreover, ecological signatures are revealed, including a surprising relationship between isotopic values for bulk macromolecular carbon and the biomarker for methanotrophs. The record suggests that cyanobacteria were likely key organisms of shallow-water microbial ecosystems providing molecular oxygen, fixed carbon, and possibly fixed nitrogen, and methanotrophs were not alone in recycling methane and other C-13-depleted substrates.

  3. Dynamic molecular structure of plant biomass-derived black carbon (biochar)

    Energy Technology Data Exchange (ETDEWEB)

    Keiluweit, M.; Nico, P.S.; Johnson, M.G.; Kleber, M.

    2009-11-15

    Char black carbon (BC), the solid residue of incomplete combustion, is continuously being added to soils and sediments due to natural vegetation fires, anthropogenic pollution, and new strategies for carbon sequestration ('biochar'). Here we present a molecular-level assessment of the physical organization and chemical complexity of biomass-derived chars and, specifically, that of aromatic carbon in char structures. BET-N{sub 2} surface area, X-ray diffraction (XRD), synchrotron-based Near-edge X-ray Absorption Fine Structure (NEXAFS), and Fourier transform infrared (FT-IR) spectroscopy are used to show how two plant materials (wood and grass) undergo analogous, but quantitatively different physical-chemical transitions as charring temperature increases from 100 to 700 C. These changes suggest the existence of four distinct categories of char consisting of a unique mixture of chemical phases and physical states: (i) in transition chars the crystalline character of the precursor materials is preserved, (ii) in amorphous chars the heat-altered molecules and incipient aromatic polycondensates are randomly mixed, (iii) composite chars consist of poorly ordered graphene stacks embedded in amorphous phases, and (iv) turbostratic chars are dominated by disordered graphitic crystallites. The molecular variations among the different char categories translate into differences in their ability to persist in the environment and function as environmental sorbents.

  4. Cellular and molecular portrait of eleven human glioblastoma cell lines under photon and carbon ion irradiation.

    Science.gov (United States)

    Ferrandon, S; Magné, N; Battiston-Montagne, P; Hau-Desbat, N-H; Diaz, O; Beuve, M; Constanzo, J; Chargari, C; Poncet, D; Chautard, E; Ardail, D; Alphonse, G; Rodriguez-Lafrasse, C

    2015-04-28

    This study aimed to examine the cellular and molecular long-term responses of glioblastomas to radiotherapy and hadrontherapy in order to better understand the biological effects of carbon beams in cancer treatment. Eleven human glioblastoma cell lines, displaying gradual radiosensitivity, were irradiated with photons or carbon ions. Independently of p53 or O(6)-methylguanine-DNA methyltransferase(1) status, all cell lines responded to irradiation by a G2/M phase arrest followed by the appearance of mitotic catastrophe, which was concluded by a ceramide-dependent-apoptotic cell death. Statistical analysis demonstrated that: (i) the SF2(2) and the D10(3) values for photon are correlated with that obtained in response to carbon ions; (ii) regardless of the p53, MGMT status, and radiosensitivity, the release of ceramide is associated with the induction of late apoptosis; and (iii) the appearance of polyploid cells after photon irradiation could predict the Relative Biological Efficiency(4) to carbon ions. This large collection of data should increase our knowledge in glioblastoma radiobiology in order to better understand, and to later individualize, appropriate radiotherapy treatment for patients who are good candidates. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  5. A molecular investigation of soil organic carbon composition across a subalpine catchment

    Science.gov (United States)

    Hsu, Hsiao-Tieh; Lawrence, Corey R.; Winnick, Matthew J.; Bargar, John R.; Maher, Katharine

    2018-01-01

    The dynamics of soil organic carbon (SOC) storage and turnover are a critical component of the global carbon cycle. Mechanistic models seeking to represent these complex dynamics require detailed SOC compositions, which are currently difficult to characterize quantitatively. Here, we address this challenge by using a novel approach that combines Fourier transform infrared spectroscopy (FT-IR) and bulk carbon X-ray absorption spectroscopy (XAS) to determine the abundance of SOC functional groups, using elemental analysis (EA) to constrain the total amount of SOC. We used this SOC functional group abundance (SOC-fga) method to compare variability in SOC compositions as a function of depth across a subalpine watershed (East River, Colorado, USA) and found a large degree of variability in SOC functional group abundances between sites at different elevations. Soils at a lower elevation are predominantly composed of polysaccharides, while soils at a higher elevation have more substantial portions of carbonyl, phenolic, or aromatic carbon. We discuss the potential drivers of differences in SOC composition between these sites, including vegetation inputs, internal processing and losses, and elevation-driven environmental factors. Although numerical models would facilitate the understanding and evaluation of the observed SOC distributions, quantitative and meaningful measurements of SOC molecular compositions are required to guide such models. Comparison among commonly used characterization techniques on shared reference materials is a critical next step for advancing our understanding of the complex processes controlling SOC compositions.

  6. Compressive characteristics of single walled carbon nanotube with water interactions investigated by using molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Wong, C.H., E-mail: chwong@ntu.edu.sg; Vijayaraghavan, V.

    2014-01-24

    The elastic properties of single walled carbon nanotube (SWCNT) with surrounding water interactions are studied using molecular dynamics simulation technique. The compressive loading characteristic of carbon nanotubes (CNTs) in a fluidic medium such as water is critical for its role in determining the lifetime and stability of CNT based nano-fluidic devices. In this paper, we conducted a comprehensive analysis on the effect of geometry, chirality and density of encapsulated water on the elastic properties of SWCNT. Our studies show that defect density and distribution can strongly impact the compressive resistance of SWCNTs in water. Further studies were conducted on capped SWCNTs with varying densities of encapsulated water, which is necessary to understand the strength of CNT as a potential drug carrier. The results obtained from this paper will help determining the potential applications of CNTs in the field of nano-electromechanical systems (NEMS) such as nano-biological and nano-fluidic devices.

  7. Molecular Dynamics Simulations of the Thermal Conductivity of Single-Wall Carbon Nanotubes

    Science.gov (United States)

    Osman, M.; Srivastava, Deepak; Govindan,T. R. (Technical Monitor)

    2000-01-01

    Carbon nanotubes (CNT) have very attractive electronic, mechanical. and thermal properties. Recently, measurements of thermal conductivity in single wall CNT mats showed estimated thermal conductivity magnitudes ranging from 17.5 to 58 W/cm-K at room temperature. which are better than bulk graphite. The cylinderical symmetry of CNT leads to large thermal conductivity along the tube axis, additionally, unlike graphite. CNTs can be made into ropes that can be used as heat conducting pipes for nanoscale applications. The thermal conductivity of several single wall carbon nanotubes has been calculated over temperature range from l00 K to 600 K using non-equilibrium molecular dynamics using Tersoff-Brenner potential for C-C interactions. Thermal conductivity of single wall CNTs shows a peaking behavior as a function of temperature. Dependence of the peak position on the chirality and radius of the tube will be discussed and explained in this presentation.

  8. Adsorption of Molecular Gases on Silver/Carbon Nanotube Composites at Low Temperatures and Low Pressures

    Directory of Open Access Journals (Sweden)

    M. Barberio

    2014-01-01

    Full Text Available We present an experimental study adsorption of molecular gases (N2, H2, O2, CH4, C2H4, and C2H6 on multiwalled carbon nanotubes (MWCNTs and MWCNT doped with Ag at low temperatures (35 K and pressures (10−6 Torr using the temperature programmed desorption technique. Our results show that the desorption kinetics is of the first order; furthermore comparative measurements indicate that Ag/MWCNTs have an adsorption capacity higher than that of a pure sample suggesting that these composites are good candidates as gas cryosorbers for applications in cryopumps or sensor of latest generation.

  9. Molecular views of physical adsorption inside and outside of single-wall carbon nanotubes.

    Science.gov (United States)

    Kondratyuk, Petro; Yates, John T

    2007-10-01

    We discuss our own studies of molecular adsorption on and inside of single-wall carbon nanotubes in the broader context of important theoretical and experimental developments in the field. We show that adsorption in the nanotube interior sites as well as in the groove and exterior sites may be resolved by various experimental methods. In addition, the changes that the adsorbate phases undergo due to confinement in the nanotube interior are discussed, particularly focusing on confined molecules of water, alkanes, and an alkene. Attention is also devoted to the use of oxidizing agents such as ozone to open the ends and walls of nanotubes for interior adsorption.

  10. Molecular dynamics analysis on axial buckling of functionalized carbon nanotubes in thermal environment.

    Science.gov (United States)

    Mehralian, Fahimeh; Tadi Beni, Yaghoub

    2017-11-04

    Molecular dynamics simulations are conducted to investigate the buckling characteristics of functionalized carbon nanotubes (f-CNTs) under axial compression at various temperatures. The influences of functionalization, content of functional groups, chirality and diameter, as well as temperature on buckling response of pristine and functionalized CNTs are investigated. It is found that the buckling capacity of CNTs deteriorates drastically by functionalization, though the increase in the content of functional groups slightly enhances their stability. Besides, the results show that temperature considerably contributes to the stability of nanotubes but interestingly it has the most pronounced impact on pristine CNTs than functionalized ones, as defective CNTs.

  11. Molecular electronic devices based on single-walled carbon nanotube electrodes.

    Science.gov (United States)

    Feldman, Alina K; Steigerwald, Michael L; Guo, Xuefeng; Nuckolls, Colin

    2008-12-01

    As the top-down fabrication techniques for silicon-based electronic materials have reached the scale of molecular lengths, researchers have been investigating nanostructured materials to build electronics from individual molecules. Researchers have directed extensive experimental and theoretical efforts toward building functional optoelectronic devices using individual organic molecules and fabricating metal-molecule junctions. Although this method has many advantages, its limitations lead to large disagreement between experimental and theoretical results. This Account describes a new method to create molecular electronic devices, covalently bridging a gap in a single-walled carbon nanotube (SWNT) with an electrically functional molecule. First, we introduce a molecular-scale gap into a nanotube by precise oxidative cutting through a lithographic mask. Now functionalized with carboxylic acids, the ends of the cleaved carbon nanotubes are reconnected with conjugated diamines to give robust diamides. The molecular electronic devices prepared in this fashion can withstand and respond to large environmental changes based on the functional groups in the molecules. For example, with oligoanilines as the molecular bridge, the conductance of the device is sensitive to pH. Similarly, using diarylethylenes as the bridge provides devices that can reversibly switch between conjugated and nonconjugated states. The molecular bridge can perform the dual task of carrying electrical current and sensing/recognition through biological events such as protein/substrate binding and DNA hybridization. The devices based on DNA can measure the difference in electrical properties of complementary and mismatched strands. A well-matched duplex DNA 15-mer in the gap exhibits a 300-fold lower resistance than a duplex with a GT or CA mismatch. This system provides an ultrasensitive way to detect single-nucleotide polymorphisms at the individual molecule level. Restriction enzymes can cleave

  12. Removal of trihalomethanes from aqueous solution through armchair carbon nanotubes: a molecular dynamics study.

    Science.gov (United States)

    Azamat, Jafar; Khataee, Alireza; Joo, Sang Woo; Yin, Binfeng

    2015-04-01

    Molecular dynamics simulations were performed to investigate the removal of trihalomethanes (THMs) including CH3Cl, CH2Cl2 and CHCl3 from aqueous solutions by armchair carbon nanotubes (CNTs) under induced pressure. The studied system involved the armchair CNTs embedded between two graphene sheets with an aqueous solution of THMs in the simulation box. An external pressure was applied to the system along the z-axis of the simulation box. Six types of armchair CNTs with different diameter were used in this work, included (4,4), (5,5), (6,6), (7,7), (8,8) and (9,9) CNTs. The results of molecular dynamics simulation display that the armchair CNTs behave differently relative to THMs and water molecules. The permeation of THMs and water molecules through the armchair CNTs was dependent on the diameter of CNTs and the applied pressure. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. Molecular weight-dependent degradation and drug release of surface-eroding poly(ethylene carbonate).

    Science.gov (United States)

    Bohr, Adam; Wang, Yingya; Harmankaya, Necati; Water, Jorrit J; Baldursdottír, Stefania; Almdal, Kristoffer; Beck-Broichsitter, Moritz

    2017-06-01

    Poly(ethylene carbonate) (PEC) is a unique biomaterial showing significant potential for controlled drug delivery applications. The current study investigated the impact of the molecular weight on the biological performance of drug-loaded PEC films. Following the preparation and thorough physicochemical characterization of diverse PEC (molecular weights: 85, 110, 133, 174 and 196kDa), the degradation and drug release behavior of rifampicin- and bovine serum albumin-loaded PEC films was investigated in vitro (in the presence and absence of cholesterol esterase), in cell culture (RAW264.7 macrophages) and in vivo (subcutaneous implantation in rats). All investigated samples degraded by means of surface erosion (mass loss, but constant molecular weight), which was accompanied by a predictable, erosion-controlled drug release pattern. Accordingly, the obtained in vitro degradation half-lives correlated well with the observed in vitro half-times of drug delivery (R(2)=0.96). Here, the PEC of the highest molecular weight resulted in the fastest degradation/drug release. When incubated with macrophages or implanted in animals, the degradation rate of PEC films superimposed the results of in vitro incubations with cholesterol esterase. Interestingly, SEM analysis indicated a distinct surface erosion process for enzyme-, macrophage- and in vivo-treated polymer films in a molecular weight-dependent manner. Overall, the molecular weight of surface-eroding PEC was identified as an essential parameter to control the spatial and temporal on-demand degradation and drug release from the employed delivery system. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Molecular Mechanics of the Moisture Effect on Epoxy/Carbon Nanotube Nanocomposites

    Directory of Open Access Journals (Sweden)

    Lik-ho Tam

    2017-10-01

    Full Text Available The strong structural integrity of polymer nanocomposite is influenced in the moist environment; but the fundamental mechanism is unclear, including the basis for the interactions between the absorbed water molecules and the structure, which prevents us from predicting the durability of its applications across multiple scales. In this research, a molecular dynamics model of the epoxy/single-walled carbon nanotube (SWCNT nanocomposite is constructed to explore the mechanism of the moisture effect, and an analysis of the molecular interactions is provided by focusing on the hydrogen bond (H-bond network inside the nanocomposite structure. The simulations show that at low moisture concentration, the water molecules affect the molecular interactions by favorably forming the water-nanocomposite H-bonds and the small cluster, while at high concentration the water molecules predominantly form the water-water H-bonds and the large cluster. The water molecules in the epoxy matrix and the epoxy-SWCNT interface disrupt the molecular interactions and deteriorate the mechanical properties. Through identifying the link between the water molecules and the nanocomposite structure and properties, it is shown that the free volume in the nanocomposite is crucial for its structural integrity, which facilitates the moisture accumulation and the distinct material deteriorations. This study provides insights into the moisture-affected structure and properties of the nanocomposite from the nanoscale perspective, which contributes to the understanding of the nanocomposite long-term performance under the moisture effect.

  15. Sieve Tray Efficiency using CFD Modeling and Simulation | Gesit ...

    African Journals Online (AJOL)

    In this work, computational fluid dynamics (CFD) models are developed and used to predict sieve tray hydrodynamics and mass transfer. The models consider the three-dimensional two-phase flow of vapor (or gas) and liquid in which each phase is treated as an interpenetrating continuum having separate transport ...

  16. Journal of EEA, Vol. 30, 2013 SIEVE TRAY EFFICIENCY USING ...

    African Journals Online (AJOL)

    dell

    method for sieve tray mass transfer and efficiency. It is concluded that CFD modeling and simulation can be used as a ... the best performance. Over the past years, only experimental methods could be thought of ... continuum having separate transport equations. With the model focusing on the liquid-continuous region of the ...

  17. Factorization of RSA-140 using the number field sieve

    NARCIS (Netherlands)

    S.H. Cavallar; B. Dodson; A.K. Lenstra (Arjen); P.C. Leyland; W.M. Lioen (Walter); P.L. Montgomery; B. Murphy; H.J.J. te Riele (Herman); P. Zimmermann

    1999-01-01

    textabstractOn February 2, 1999, we completed the factorization of the 140--digit number RSA--140 with the help of the Number Field Sieve factoring method (NFS). This is a new general factoring record. The previous record was established on April 10, 1996 by the factorization of the 130--digit

  18. Molecular imprinted polymer functionalized carbon nanotube sensors for detection of saccharides

    Science.gov (United States)

    Badhulika, Sushmee; Mulchandani, Ashok

    2015-08-01

    In this work, we report the synthesis and fabrication of an enzyme-free sugar sensor based on molecularly imprinted polymer (MIP) on the surface of single walled carbon nanotubes (SWNTs). Electropolymerization of 3-aminophenylboronic acid (3-APBA) in the presence of 10 M d-fructose and fluoride at neutral pH conditions resulted in the formation of a self-doped, molecularly imprinted conducting polymer (MICP) via the formation of a stable anionic boronic ester complex between poly(aniline boronic acid) and d-fructose. Template removal generated binding sites on the polymer matrix that were complementary to d-fructose both in structure, i.e., shape, size, and positioning of functional groups, thus enabling sensing of d-fructose with enhanced affinity and specificity over non-MIP based sensors. Using carbon nanotubes along with MICPs helped to develop an efficient electrochemical sensor by enhancing analyte recognition and signal generation. These sensors could be regenerated and used multiple times unlike conventional affinity based biosensors which suffer from physical and chemical stability.

  19. Electronic structure of carbon dioxide under pressure and insights into the molecular-to-nonmolecular transition.

    Science.gov (United States)

    Shieh, Sean R; Jarrige, Ignace; Wu, Min; Hiraoka, Nozomu; Tse, John S; Mi, Zhongying; Kaci, Linada; Jiang, Jian-Zhong; Cai, Yong Q

    2013-11-12

    Knowledge of the high-pressure behavior of carbon dioxide (CO2), an important planetary material found in Venus, Earth, and Mars, is vital to the study of the evolution and dynamics of the planetary interiors as well as to the fundamental understanding of the C-O bonding and interaction between the molecules. Recent studies have revealed a number of crystalline polymorphs (CO2-I to -VII) and an amorphous phase under high pressure-temperature conditions. Nevertheless, the reported phase stability field and transition pressures at room temperature are poorly defined, especially for the amorphous phase. Here we shed light on the successive pressure-induced local structural changes and the molecular-to-nonmolecular transition of CO2 at room temperature by performing an in situ study of the local electronic structure using X-ray Raman scattering, aided by first-principle exciton calculations. We show that the transition from CO2-I to CO2-III was initiated at around 7.4 GPa, and completed at about 17 GPa. The present study also shows that at ~37 GPa, molecular CO2 starts to polymerize to an extended structure with fourfold coordinated carbon and minor CO3 and CO-like species. The observed pressure is more than 10 GPa below previously reported. The disappearance of the minority species at 63(± 3) GPa suggests that a previously unknown phase transition within the nonmolecular phase of CO2 has occurred.

  20. Molecular dynamics study of mechanical properties of carbon nanotube reinforced aluminum composites

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Ashish Kumar, E-mail: ashish.memech@gmail.com; Singh, Akhileshwar [Ph.D. Scholar, Mechanical Engineering Department, Malaviya National Institute of Technology, Jaipur (India); Mokhalingam, A. [M.Tech. Scholar, Mechanical Engineering Department, Malaviya National Institute of Technology, Jaipur (India); Kumar, Dinesh [Assistant Professor, Mechanical Engineering Department, Malaviya National Institute of Technology, Jaipur (India)

    2016-05-06

    Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for the interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young’s modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young’s modulus of the Al matrix up to 77 % as compared to pure Al.

  1. Purification, molecular cloning, and expression of 2-hydroxyphytanoyl- CoA lyase, a peroxisomal thiamine pyrophosphate-dependent enzyme that catalyzes the carbon-carbon bond cleavage during à-oxidation of 3- methyl-branched fatty acids

    CERN Document Server

    Foulon, V; Croes, K; Waelkens, E

    1999-01-01

    Purification, molecular cloning, and expression of 2-hydroxyphytanoyl- CoA lyase, a peroxisomal thiamine pyrophosphate-dependent enzyme that catalyzes the carbon-carbon bond cleavage during à-oxidation of 3- methyl-branched fatty acids

  2. Electrochemical sensor for chloramphenicol based on novel multiwalled carbon nanotubes@molecularly imprinted polymer.

    Science.gov (United States)

    Yang, Guangming; Zhao, Faqiong

    2015-02-15

    Herein, we present a novel electrochemical sensor for the determination of chloramphenicol (CAP), which is based on multiwalled carbon nanotubes@molecularly imprinted polymer (MWCNTs@MIP), mesoporous carbon (CKM-3) and three-dimensional porous graphene (P-r-GO). Firstly, 3-hexadecyl-1-vinylimidazolium chloride (C16VimCl) was synthetized by using 1-vinylimidazole and 1-chlorohexadecane as precursors. Then, C16VImCl was used to improve the dispersion of MWCNT and as monomer to prepare MIP on MWCNT surface to obtain MWCNTs@MIP. After that, the obtained MWCNTs@MIP was coated on the CKM-3 and P-r-GO modified glassy carbon electrode to construct an electrochemical sensor for the determination of CAP. The parameters concerning this assay strategy were carefully considered. Under the optimal conditions, the electrochemical sensor offered an excellent response for CAP. The linear response ranges were 5.0 × 10(-9)-5 × 10(-7)mol L(-1) and 5.0 × 10(-7)-4.0 × 10(-6), respectively, and the detection limit was 1.0 × 10(-10)mol L(-1). The electrochemical sensor was applied to determine CAP in real samples with satisfactory results. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Carbon paste electrode modified molecularly imprinted polymer as a sensor for creatinine analysis by stripping voltammetry

    Science.gov (United States)

    Khasanah, M.; Darmokoesoemo, H.; Rizki, D. A.

    2017-09-01

    Modification of carbon paste electrode with molecularly imprinted polymer (CP-MIP) as a voltammetric sensor for creatinine has been developed. MIP was synthesized by reacting melamine, chloranil and creatinine with a mole ratio of 1:1:0.1. Creatinine was extracted from polymer chain by using hot water to form a specific imprinted for creatinine molecule. Carbon paste-MIP electrode was prepared by mixing activated carbon, solid paraffin, and MIP in a 45:40:15(w/w %) ratio. The optimum conditions of creatinine analysis by differential pulse stripping voltammetry (DPSV) using the developed electrode were the accumulation potential -1000 mV during 90 s at pH 5. The precision of the method for 0.1-0.5 μlg/L creatinine was 88.7-96.3%, while the detection limit of this method was 0.0315 μlg/L. The accuracy compared by spectrophotometric method was 95.3-103.6%

  4. Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

    Science.gov (United States)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2016-01-01

    Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

  5. Synthesis of nickel-incorporated larch-based carbon membranes with controllable porous structure for gas separation

    Science.gov (United States)

    Zhao, Xin; Li, Wei; Huang, Zhanhua; Liu, Shouxin

    2015-11-01

    Ni-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO3)2 into the liquefied larch using liquefied larch sawdust as precursors and F127 as the soft template. The porous structure can be tailored by the amount of Ni(NO3)2, and the Ni and NiO nanoparticles with a size of 10 nm incorporated in the carbon frameworks. The increase in Ni(NO3)2 content can lead to the formation of disordered porous structure and shrinkage of carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation for N2, CO2, and O2 of 37.5, 19.8, and 55.5 m3 cm/m2 h kPa, which is larger than that of the pure carbon membranes, respectively. However, the poor ordered porous structure caused by adding large amount of Ni(NO3)2 can reduce the gas separation performance, which is attributed to the weaken of the molecular sieve function. The results indicate that the incorporation of few nanoparticles into larch-based carbon membranes can improve molecular sieve function.

  6. A Molecular Investigation of Soil Organic Carbon Composition, Variability, and Spatial Distribution Across an Alpine Catchment

    Science.gov (United States)

    Hsu, H. T.; Lawrence, C. R.; Winnick, M.; Druhan, J. L.; Williams, K. H.; Maher, K.; Rainaldi, G. R.; McCormick, M. E.

    2016-12-01

    The cycling of carbon through soils is one of the least understood aspects of the global carbon cycle and represents a key uncertainty in the prediction of land-surface response to global warming. Thus, there is an urgent need for advanced characterization of soil organic carbon (SOC) to develop and evaluate a new generation of soil carbon models. We hypothesize that shifts in SOC composition and spatial distribution as a function of soil depth can be used to constrain rates of transformation between the litter layer and the deeper subsoil (extending to a depth of approximately 1 m). To evaluate the composition and distribution of SOC, we collected soil samples from East River, a shale-dominated watershed near Crested Butte, CO, and characterized relative changes in SOC species as a function of depth using elemental analysis (EA), Fourier transform infrared spectroscopy (FT-IR) and bulk C X-ray absorption spectroscopy (XAS). Our results show that total organic carbon (TOC) decreases with depth, and high total inorganic carbon (TIC) content was found in deeper soils (after 75 cm), a characteristic of the bedrock (shale). The distribution of aliphatic C relative to the parent material generally decreases with depth and that polysaccharide can be a substantial component of SOC at various depths. On the other hand, the relative distribution of aromatic C, traditionally viewed as recalcitrant, only makes up a very small part of SOC regardless of depth. These observations confirm that molecular structure is not the only determinant of SOC turnover rate. To study other contributors to SOC decomposition, we studied changes in the spatial correlation of SOC and minerals using X-ray fluorescence spectroscopy (XRF) and scanning transmission X-ray microscopy (STXM). We found that aromatics mostly locate on the surface of small soil aggregates (1-10 μm). Polysaccharides and proteins, both viewed as labile traditionally, are more evenly distributed over the interior of the

  7. Synthesis and properties of phloroglucinol-phenol-formaldehyde carbon aerogels and xerogels.

    Science.gov (United States)

    Jirglová, Hana; Pérez-Cadenas, Agustín F; Maldonado-Hódar, Francisco J

    2009-02-17

    Carbon aerogels and xerogels were successfully prepared from phloroglucinol-phenol mixtures and characterized by different techniques to determine their potential. We examined the influence of the phloroglucinol/phenol ratio, reactant concentration, cure conditions, and drying method on the morphology and porosity of the samples. The gelation time was found to be independent of the phloroglucinol/phenol ratio in spite of the different reactivities of both monomers. In general, carbon aerogels have a high volume of mesopores and of micropores without diffusion restrictions. Carbon xerogels are denser materials without mesopores but with a well-developed microporosity that shows a strong molecular sieve effect. Therefore, while micro-/mesoporous carbon aerogels can be used as catalyst supports or VOC adsorbents, the microporous carbon xerogel could offer high selectivity in the separation of small molecules from gaseous mixtures.

  8. Quantum chemistry and molecular dynamics simulation study of dimethyl carbonate: ethylene carbonate electrolytes doped with LiPF6.

    Science.gov (United States)

    Borodin, Oleg; Smith, Grant D

    2009-02-12

    Quantum chemistry studies of ethylene carbonate (EC) and dimethyl carbonate (DMC) complexes with Li+ and LiPF6 have been conducted. We found that Li+ complexation significantly stabilizes the highly polar cis-trans DMC conformation relative to the nearly nonpolar gas-phase low energy cis-cis conformer. As a consequence, the binding of Li+ to EC in the gas phase is not as favorable relative to binding to DMC as previously reported. Furthermore, quantum chemistry studies reveal that, when complexation of LiPF6 ion pairs is considered, the DMC/LiPF6 complex is about 1 kcal/mol more stable than the EC/LiPF6 complex. The EC3DMC(cis-cis)/Li+ complex was found to be the most energetically stable among ECnDMCm/Li+ (n+m=4) investigated complexes followed by EC4/Li+. Results of the quantum chemistry studies of these complexes were utilized in the development of a many-body polarizable force field for EC:DMC/LiPF6 electrolytes. Molecular dynamics (MD) simulations of EC/LiPF6, DMC/LiPF6, and mixed solvent EC:DMC/LiPF6 electrolytes utilizing this force field were performed at 1 M salt concentration for temperatures from 298 to 363 K. Good agreement was found between MD simulation predictions and experiments for thermodynamic and transport properties of both pure solvents and the electrolytes. We find increased ion pairing with increasing DMC content; however, both EC and DMC were found to participate in Li+ solvation in mixed EC:DMC electrolytes despite a huge difference in their dielectric constants. In contrast to previous NMR studies, where dominance of EC in cation solvation was reported, we find a slight preference for DMC in the cation solvation shell for EC:DMC (1 wt:1 wt) electrolytes and show that reanalyzed Raman spectroscopy experiments are in good agreement with results of MD simulations. Finally, analysis of solvent residence times reveals that cation transport is dominated by motion with solvating DMC and approximately equal contributions from vehicular motions

  9. Tamices moleculares que combinan micro y meso porosidad: una revisión

    Directory of Open Access Journals (Sweden)

    Carmen M. López*

    2009-12-01

    Full Text Available Molecular sieves combining micro and mesoporosity: a review. A review of molecular sieves combining micro and mesoporosity is presented. A summary of different routes employed for the preparation of these solids, is showed by citing recent works reported in this subject. In order to evaluate the catalytic potential of these new solids, several catalytic studies are presented.

  10. Molecular dynamics investigation of carbon nanotube junctions in non-aqueous solutions

    KAUST Repository

    Gkionis, Konstantinos

    2014-07-23

    The properties of liquids in a confined environment are known to differ from those in the bulk. Extending this knowledge to geometries defined by two metallic layers in contact with the ends of a carbon nanotube is important for describing a large class of nanodevices that operate in non-aqueous environments. Here we report a series of classical molecular dynamics simulations for gold-electrode junctions in acetone, cyclohexane and N,N-dimethylformamide solutions and analyze the structure and the dynamics of the solvents in different regions of the nanojunction. The presence of the nanotube has little effect on the ordering of the solvents along its axis, while in the transversal direction deviations are observed. Importantly, the orientational dynamics of the solvents at the electrode-nanotube interface differ dramatically from that found when only the electrodes are present.

  11. Molecularly imprinted polymer/graphene oxide modified glassy carbon electrode for selective detection of sulfanilamide

    Directory of Open Access Journals (Sweden)

    Xiaobing Wei

    2017-06-01

    Full Text Available A novel sensitive electrochemical sensor based on a glassy carbon electrode (GCE modified with molecularly imprinted polymer (MIP and grapheme oxide (GO was developed. The MIP/GO material was prepared by precipitation polymerization in the presence of sulfanilamide as template molecule. The MIP/GO based electrochemical sensor was characterized using scanning electron microscopy (SEM, cyclic voltammetry (CV, electrochemical impedance spectroscopy (EIS and square wave voltammetry (SWV. The results indicated that the sensor exhibited good affinity and excellent electrochemical response for sulfanilamide. Under optimized conditions, the oxidation peak current intensity of sulfanilamide showed two linear dynamic ranges from 10 to 1000 ng mL−1, and the standard deviation was less than 5% using SWV method. The sensor displays good stability, reproducibility, and high sensitivity. It can be further applied to quantify sulfanilamide in milk.

  12. Carbon nanotube self-assembly with lipids and detergent: a molecular dynamics study

    Science.gov (United States)

    Wallace, E. Jayne; Sansom, Mark S. P.

    2009-01-01

    The dispersion of carbon nanotubes (CNTs) in aqueous media is of potential importance in a number of biomedical applications. CNT solubilization has been achieved via the non-covalent adsorption of lipids and detergent onto the tube surface. We use coarse-grained molecular dynamics to study the self-assembly of CNTs with various amphiphiles, namely a bilayer-forming lipid, dipalmitoylphosphatidylcholine (DPPC), and two species of detergent, dihexanoylphosphatidylcholine (DHPC) and lysophosphatidylcholine (LPC). We find that for a low amphiphile/CNT ratio, DPPC, DHPC and LPC all wrap around the CNT. Upon increasing the number of amphiphiles, a transition in adsorption is observed: DPPC encapsulates the CNT within a cylindrical micelle, whilst both DHPC and LPC adsorb onto CNTs in hemimicelles. This study highlights differences in adsorption mechanism of bilayer-forming lipids and detergents on CNTs which may in the future be exploitable to enable enhancement of CNT solubilization whilst minimizing perturbation of cell membrane integrity.

  13. Voltammetric Determination of Flunixin on Molecularly Imprinted Polypyrrole Modified Glassy Carbon Electrode.

    Science.gov (United States)

    Radi, Abd-Elgawad; Abd El-Ghany, Nadia; Wahdan, Tarek

    2016-01-01

    A novel electrochemical sensing approach, based on electropolymerization of a molecularly imprinted polypyrrole (MIPpy) film onto a glassy carbon electrode (GCE) surface, was developed for the detection of flunixin (FXN). The sensing conditions and the performance of the constructed sensor were assessed by cyclic, differential pulse and (DPV) square wave voltammetry (SWV). The sensor exhibited high sensitivity, with linear responses in the range of 5.0 to 50.0 µM with detection limits of 1.5 and 1.0 µM for DPV and SWV, respectively. In addition, the sensor showed high selectivity towards FXN in comparison to other interferents. The sensor was successfully utilized for the direct determination of FXN in buffalo raw milk samples.

  14. Voltammetric Determination of Flunixin on Molecularly Imprinted Polypyrrole Modified Glassy Carbon Electrode

    Directory of Open Access Journals (Sweden)

    Abd-Elgawad Radi

    2016-01-01

    Full Text Available A novel electrochemical sensing approach, based on electropolymerization of a molecularly imprinted polypyrrole (MIPpy film onto a glassy carbon electrode (GCE surface, was developed for the detection of flunixin (FXN. The sensing conditions and the performance of the constructed sensor were assessed by cyclic, differential pulse and (DPV square wave voltammetry (SWV. The sensor exhibited high sensitivity, with linear responses in the range of 5.0 to 50.0 µM with detection limits of 1.5 and 1.0 µM for DPV and SWV, respectively. In addition, the sensor showed high selectivity towards FXN in comparison to other interferents. The sensor was successfully utilized for the direct determination of FXN in buffalo raw milk samples.

  15. Laser-Induced Explosion of Nitrated Carbon Nanotubes: Nonadiabatic and Reactive Molecular Dynamics Simulations.

    Science.gov (United States)

    Chaban, Vitaly V; Pal, Sougata; Prezhdo, Oleg V

    2016-12-14

    Laser-initiated decomposition of carbon nanotubes (CNTs) can lead to medical, military, and other applications. In medicine, CNTs give rise to efficient remedies against diseases and malignant cells, since they encapsulate drug molecules, can be delivered inside living organisms, and absorb light that penetrates through biological tissues. As explosives, pyrotechnics, and propellants, CNTs can be activated remotely by a visible or infrared laser, avoiding the need for a detonating cord. The reported non-equilibrium investigation demonstrates the possibility of photoinduced polynitro-CNT explosion and provides a detailed chemical mechanism of the decomposition process, explicitly in the time domain. Nonadiabatic molecular dynamics (MD) performed with real-time time-dependent tight-binding density functional theory demonstrates that the photogenerated exciton deposits its energy into a broad range of phonon modes within less than a picosecond, resulting in a rapid polynitro-CNT heating. Following the heating, reactive MD demonstrates an explosion, during which the local temperature of polynitro-CNTs and its fragments rises as high as 4000 K. Photoexcitation of nitro groups by a high-energy laser is not required; the energy can be delivered to polynitro-CNTs using near-infrared light within the biological window. Furthermore, the explosion is possible both with and without an external oxygen source. Anaerobic explosion could be particularly beneficial in confined biological and nanoscale environments. The products of the polynitro-CNT decomposition are nontoxic: carbon dioxide and molecular nitrogen. The in silico demonstration of the laser-induced polynitro-CNT explosion, its chemical mechanism, and the time scales of physical and chemical transformations can be tested experimentally using time-resolved laser techniques.

  16. Development of carbon paste electrodes modified by molecularly imprinted polymer as potentiometry sensor of uric acid

    Science.gov (United States)

    Khasanah, Miratul; Darmokoesoemo, Handoko; Widayanti, Nesti; Kadmi, Yassine; Elmsellem, Hicham; Kusuma, Heri Septya

    The development of carbon paste electrodes modified by molecularly imprinted polymer (MIP) for the potentiometric analysis of uric acid was carried out in this study. The aim of the study was to determine the optimum composition of the electrode constituent material, the optimum pH of the uric acid solution, and the performance of the electrode, which was measured by its response time, measurement range, Nernst factor, detection limits, selectivity coefficient, precision, accuracy, and life time. MIP was made from methyl methacrylate as the monomer, ethylene glycol dimethacrylate as the cross-linker, and uric acid as the template. Electrodes that give optimum performance were produced from carbon, MIP, and paraffin with a ratio of 40:25:35 (% w/w). The obtained results show that the measurement of uric acid solution gives optimum results at pH 5, Nernst factor of 30.19 mV/decade, and a measurement range of 10-6-10-3 M. The minimum detection limit of this method was 3.03.10-6 M, and the precision and accuracy toward uric acid with concentration of 10-6-10-3 M ranged between 1.36-2.03% and 63.9-166%. The selectivity coefficient value was less than 1, which indicated that the electrode was selective against uric acid and not interfered with by urea. This electrode has a response time of less than 2 min; its life time is 8 weeks with 104 usage times.

  17. Use of molecular approaches in hydrogeological studies: the case of carbonate aquifers in southern Italy

    Science.gov (United States)

    Bucci, Antonio; Petrella, Emma; Celico, Fulvio; Naclerio, Gino

    2017-06-01

    Waterborne pathogens represent a significant health risk in both developed and developing countries with sensitive sub-populations including children, the elderly, neonates, and immune-compromised people, who are particularly susceptible to enteric infections. Annually, approximately 1.8 billion people utilize a faecally contaminated water source, and waterborne diseases are resulting in up to 2.1 million human mortalities globally. Although groundwater has traditionally been considered less susceptible to contamination by enteric pathogens than surface water due to natural attenuation by overlying strata, the degree of microbial removal attributable to soils and aquifers can vary significantly depending on several factors. Thus, accurate assessment of the variable presence and concentration of microbial contaminants, and the relative importance of potentially causative factors affecting contaminant ingress, is critical in order to develop effective source (well) and resource (aquifer) protection strategies. "Traditional" and molecular microbiological study designs, when coupled with hydrogeological, hydrochemical, isotopic, and geophysical methods, have proven useful for analysis of numerous aspects of subsurface microbial dynamics. Accordingly, this overview paper presents the principal microbial techniques currently being employed (1) to predict and identify sources of faecal contamination in groundwater, (2) to elucidate the dynamics of contaminant migration, and (3) to refine knowledge about the hydrogeological characteristics and behaviours of aquifer systems affected by microbial contamination with an emphasis on carbonate aquifers, which represent an important global water supply. Previous investigations carried out in carbonate aquifers in southern Italy are discussed.

  18. Uniform and Conformal Carbon Nanofilms Produced Based on Molecular Layer Deposition

    Directory of Open Access Journals (Sweden)

    Peng Yang

    2013-12-01

    Full Text Available Continuous and uniform carbon nanofilms (CNFs are prepared by pyrolysis of polyimide films which are produced by molecular layer deposition (MLD. The film thickness can be easily controlled at nanometer scale by altering the cycle numbers. During the annealing process at 600 °C, the polyimide film is subject to shrinkage of 70% in thickness. The obtained CNFs do not exhibit a well-graphitized structure due to the low calcination temperature. No clear pore structures are observed in the produced films. CNFs grown on a glass substrate with a thickness of about 1.4 nm shows almost 98% optical transmittance in the visible spectrum range. Au nanoparticles coated with CNFs are produced by this method. Carbon nanotubes with uniform wall thickness are obtained using anodic aluminum oxide as a template by depositing polyimide films into its pores. Our results demonstrate that this method is very effective to coat conformal and uniform CNFs on various substrates, such as nanoparticles and porous templates, to produce functional composite nanomaterials.

  19. Influences of poly (vinyl alcohol molecular weight and carbon nanotubes on radiation crosslinking shape memory polymers

    Directory of Open Access Journals (Sweden)

    Aamer A.M. Alfayyadh

    2017-06-01

    Full Text Available Polyvinyl alcohol (PVA of two molecular weights was used to prepare shape memory polymers based on chemical-crosslinking by glutaraldehyde. The chemical-crosslinking was done in the presence of 2-carboxyethyl acrylate oligomers (CEA and nano-filler [multi-wall carbon nanotubes (MWCNT and functionalized carbon nanotubes (MWCNT-NH2] followed by radiation-induced crosslinking. The analysis of the material revealed an increase in the gel fraction and a significant reduction in swelling of the nanocomposite material that was crosslinked with both glutaraldehyde and ionizing radiation. The radiation crosslinked nanocomposites demonstrated approximately a 90% gelation over a range of 50–300 kGy irradiation doses. The scanning electron microscopy (SEM analysis showed a homogeneous distribution of nanocomposites in the composite matrix. The thermal properties of radiation crosslinked (PVA/CEA and (PVA-CEA-nano-fillers were investigated by a thermogravimetric analysis (TGA. The mechanical properties were examined via dynamic mechanical analysis (DMA which showed significant variation because of the addition of nanocomposites. This radiation crosslinked materials show good shape memory behavior that may be useful in many applications based on the range of temperatures at which Tan δ appears.

  20. Equilibrium Limit of Boundary Scattering in Carbon Nanostructures: Molecular Dynamics Calculations of Thermal Transport

    Science.gov (United States)

    Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir

    2012-01-01

    It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.

  1. Quadratic grating apodized photon sieves for simultaneous multiplane microscopy

    Science.gov (United States)

    Cheng, Yiguang; Zhu, Jiangping; He, Yu; Tang, Yan; Hu, Song; Zhao, Lixin

    2017-10-01

    We present a new type of imaging device, named quadratic grating apodized photon sieve (QGPS), used as the objective for simultaneous multiplane imaging in X-rays. The proposed QGPS is structured based on the combination of two concepts: photon sieves and quadratic gratings. Its design principles are also expounded in detail. Analysis of imaging properties of QGPS in terms of point-spread function shows that QGPS can image multiple layers within an object field onto a single image plane. Simulated and experimental results in visible light both demonstrate the feasibility of QGPS for simultaneous multiplane imaging, which is extremely promising to detect dynamic specimens by X-ray microscopy in the physical and life sciences.

  2. Molecular Dynamics Simulations of Carbon Dioxide, Methane, and Their Mixture in Montmorillonite Clay Hydrates

    KAUST Repository

    Kadoura, Ahmad Salim

    2016-05-26

    Molecular dynamics simulations were carried out to study the structural and transport properties of carbon dioxide, methane, and their mixture at 298.15 K in Na-montmorillonite clay in the presence of water. The simulations show that, the self-diffusion coefficients of pure CO2 and CH4 molecules in the interlayers of Na-montmorillonite decrease as their loading increases, possibly because of steric hindrance. The diffusion of CO2 in the interlayers of Na-montmorillonite, at constant loading of CO2, is not significantly affected by CH4 for the investigated CO2/CH4 mixture compositions. We attribute this to the preferential adsorption of CO2 over CH4 in Na-montmorillonite. While the presence of adsorbed CO2 molecules, at constant loading of CH4, very significantly reduces the self-diffusion coefficients of CH4, and relatively larger decrease in those diffusion coefficients are obtained at higher loadings. The preferential adsorption of CO2 molecules to the clay surface screens those possible attractive surface sites for CH4. The competition between screening and steric effects leads to a very slight decrease in the diffusion coefficients of CH4 molecules at low CO2 loadings. The steric hindrance effect, however, becomes much more significant at higher CO2 loadings and the diffusion coefficients of methane molecules significantly decrease. Our simulations also indicate that, similar effects of water on both carbon dioxide and methane, increase with increasing water concentration, at constant loadings of CO2 and CH4 in the interlayers of Na-montmorillonite. Our results could be useful, because of the significance of shale gas exploitation and carbon dioxide storage.

  3. Molecular carbon isotope variations in core samples taken at the Permian-Triassic boundary layers in southern China

    Science.gov (United States)

    Wang, Ruiliang; Zhang, Shuichang; Brassell, Simon; Wang, Jiaxue; Lu, Zhengyuan; Ming, Qingzhong; Wang, Xiaomei; Bian, Lizeng

    2012-07-01

    Stable carbon isotope composition (δ13C) of carbonate sediments and the molecular (biomarker) characteristics of a continuous Permian-Triassic (PT) layer in southern China were studied to obtain geochemical signals of global change at the Permian-Triassic boundary (PTB). Carbonate carbon isotope values shifted toward positive before the end of the Permian period and then shifted negative above the PTB into the Triassic period. Molecular carbon isotope values of biomarkers followed the same trend at and below the PTB and remained negative in the Triassic layer. These biomarkers were acyclic isoprenoids, ranging from C15 to C40, steranes (C27 dominates) and terpenoids that were all significantly more abundant in samples from the Permian layer than those from the Triassic layer. The Triassic layer was distinguished by the dominance of higher molecular weight (waxy) n-alkanes. Stable carbon isotope values of individual components, including n-alkanes and acyclic isoprenoids such as phytane, isop-C25, and squalane, are depleted in δ13C by up to 8-10‰ in the Triassic samples as compared to the Permian. Measured molecular and isotopic variations of organic matter in the PT layers support the generally accepted view of Permian oceanic stagnation followed by a massive upwelling of toxic deep waters at the PTB. A series of large-scale (global) outgassing events may be associated with the carbon isotope shift we measured. This is also consistent with the lithological evidence we observed of white thin-clay layers in this region. Our findings, in context with a generally accepted stagnant Permian ocean, followed by massive upwelling of toxic deep waters might be the major causes of the largest global mass extinction event that occurred at the Permian-Triassic boundary.

  4. Thermal stability of perfluorinated molecular monolayers immobilized on pulsed laser deposited amorphous carbon surfaces

    Science.gov (United States)

    Godet, Christian; Sabbah, Hussein; Hervé, Marie; Ababou-Girard, Soraya; Députier, Stéphanie; Perrin, André; Guilloux-Viry, Maryline; Solal, Francine

    2010-11-01

    Amorphous carbon (a-C) films grown by Pulsed Laser Deposition were optimized to get smooth surfaces with sp3-rich hybridization, sp3/(sp2+sp3) = 0.45-0.65. Under UHV annealing conditions, some sp3-to-sp2 conversion mechanism becomes efficient above 350°C. Covalent immobilization of linear alkene molecular layers was performed by a thermally-assisted (160-300°C) process, using perfluorodecene (PFD) in the gas phase, with no physical or chemical surface preparation of a-C films. Quantitative XPS analysis indicates the immobilization of a dense molecular monolayer. Thermal stability of the grafted PFD monolayer is investigated by using UHV annealing steps to derive the desorption rate constant k(T) and the temperature corresponding to half initial coverage (T1/2 = 460°C). The slower desorption rate of perfluorodecene monolayers immobilized on a-C as compared with a-Si:H surfaces reveals the role of the covalent C-C interface bond in the robustness of the molecule / semiconductor assembly.

  5. Molecular dynamics and kinetic study of carbon coagulation in the release wave of detonation products

    Science.gov (United States)

    Chevrot, Guillaume; Sollier, Arnaud; Pineau, Nicolas

    2012-02-01

    We present a combined molecular dynamics and kinetic study of a carbon cluster aggregation process in thermodynamic conditions relevant for the detonation products of oxygen deficient explosives. Molecular dynamics simulations with the LCBOPII potential under gigapascal pressure and high temperatures indicate that (i) the cluster motion in the detonation gas is compatible with Brownian diffusion and (ii) the coalescence probability is 100% for two clusters entering the interaction cutoff distance. We used these results for a subsequent kinetic study with the Smoluchowski model, with realistic models applied for the physical parameters such as viscosity and cluster size. We found that purely aggregational kinetics yield too fast clustering, with moderate influence of the model parameters. In agreement with previous studies, the introduction of surface reactivity through a simple kinetic model is necessary to approach the clustering time scales suggested by experiments (1000 atoms after 100 ns, 10 000 atoms after 1 μs). However, these models fail to reach all experimental criteria simultaneously and more complex modelling of the surface process seems desirable to go beyond these current limitations.

  6. An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate.

    Science.gov (United States)

    Gontrani, Lorenzo; Russina, Olga; Marincola, Flaminia Cesare; Caminiti, Ruggero

    2009-12-28

    In this work, we report on the first x-ray diffraction study on liquid dimethyl carbonate. Diffraction spectra were collected with an energy-dispersive instrument, whose wide Q-range allows the structure determination of weakly ordered systems (such as liquids). The structural correlation in this liquid ranges up to about 20 A. The observed patterns are interpreted with a structural model derived from classical molecular dynamics simulations. The simulations were run using OPLS force field, only slightly modified to restrain bond distances to the experimental values. The model structure function and radial distribution functions, averaged among the productive trajectory frames, are in very good agreement with the corresponding experimental ones. Molecular dynamics results show that the deviations from C(2v) cis-cis structure, predicted by ab initio calculations and observed by electron diffraction in the gas phase, are small. By analyzing the intra- and intermolecular pair distribution functions, it was possible to assign the peaks of the experimental radial distribution function to specific structural correlations, and to compute the different average intermolecular coordination numbers. The intermolecular methyl-carbonyl oxygen distance is thoroughly discussed to assess the presence of weak C-H...O hydrogen bonds.

  7. Molecular Quantum Spintronics: Supramolecular Spin Valves Based on Single-Molecule Magnets and Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Wolfgang Wernsdorfer

    2011-10-01

    Full Text Available We built new hybrid devices consisting of chemical vapor deposition (CVD grown carbon nanotube (CNT transistors, decorated with TbPc2 (Pc = phthalocyanine rare-earth based single-molecule magnets (SMMs. The drafting was achieved by tailoring supramolecular π-π interactions between CNTs and SMMs. The magnetoresistance hysteresis loop measurements revealed steep steps, which we can relate to the magnetization reversal of individual SMMs. Indeed, we established that the electronic transport properties of these devices depend strongly on the relative magnetization orientations of the grafted SMMs. The SMMs are playing the role of localized spin polarizer and analyzer on the CNT electronic conducting channel. As a result, we measured magneto-resistance ratios up to several hundred percent. We used this spin valve effect to confirm the strong uniaxial anisotropy and the superparamagnetic blocking temperature (TB ~ 1 K of isolated TbPc2 SMMs. For the first time, the strength of exchange interaction between the different SMMs of the molecular spin valve geometry could be determined. Our results introduce a new design for operable molecular spintronic devices using the quantum effects of individual SMMs.

  8. Black Carbon (Biochar) In Water/Soil Environments: Molecular Structure, Sorption, Stability, and Potential Risk.

    Science.gov (United States)

    Lian, Fei; Xing, Baoshan

    2017-12-05

    Black carbon (BC) is ubiquitous in the environments and participates in various biogeochemical processes. Both positive and negative effects of BC (especially biochar) on the ecosystem have been identified, which are mainly derived from its diverse physicochemical properties. Nevertheless, few studies systematically examined the linkage between the evolution of BC molecular structure with the resulted BC properties, environmental functions as well as potential risk, which is critical for understanding the BC environmental behavior and utilization as a multifunctional product. Thus, this review highlights the molecular structure evolution of BC during pyrolysis and the impact of BC physicochemical properties on its sorption behavior, stability, and potential risk in terrestrial and aqueous ecosystems. Given the wide application of BC and its important role in biogeochemical processes, future research should focus on the following: (1) establishing methodology to more precisely predict and design BC properties on the basis of pyrolysis and phase transformation of biomass; (2) developing an assessment system to evaluate the long-term effect of BC on stabilization and bioavailability of contaminants, agrochemicals, and nutrient elements in soils; and (3) elucidating the interaction mechanisms of BC with plant roots, microorganisms, and soil components.

  9. Investigating Molecular Inheritance of Carbon in Star-forming Regions along a Galactic Gradient

    KAUST Repository

    Smith, Rachel L.

    2015-04-01

    Observations of CO isotopologues taken at high spectral resolution toward young stellar objects (YSOs) are valuable tools for investigating protoplanetary chemical reservoirs, and enable robust comparisons between YSOs and solar system material (meteorites and the Sun). Investigating a range of YSO environments also helps parameterize variations in the distribution and evolution of carbon-based molecules, furthering an understanding of prebiotic chemistry. We have begun a wide survey of massive YSOs using Keck-NIRSPEC at high spectral resolution (R=25,000). Fundamental and first-overtone near-IR CO rovibrational absorption spectra have thus far been obtained toward 14 massive, luminous YSOs at Galactocentric radii (RGC) ranging from ~4.5 to 9.7 kpc. From these data we can obtain precise [12CO]/[13CO] gas-phase abundance ratios along a Galactic gradient, and [12CO]/[13CO]Gas can be further evaluated against published [12CO2]/[13CO2]Ice and [12CO]/[13CO]Ice because all observations are in absorption, a robust study of molecular inheritance is possible by virtue of comparing 12C/13C along the same lines-of-sight. Initial results for cold CO gas at RGC ~ 6.1 kpc and 9.4 kpc reveal [12C16O]/[13C16O] of 59+/‑8 and 74+/‑3, respectively, roughly following an expected 12C/13C Galactic gradient. Thus far, we find [12CO]/[13CO] in the cold CO gas to be lower than [12CO2]/[13CO2]Ice, suggesting that CO2 may not originate from CO reservoirs as often assumed. While very high-resolution observations of CO gas toward low-mass YSOs observed with VLT-CRIRES show significant heterogeneity in [12CO]/[13CO] at RGC ~ 8 kpc, this dispersion is not found for the massive YSOs. Both the low-mass and massive YSOs have higher [12CO]/[13CO] in warm vs. cold gas, and both show signatures suggesting possible interplay between CO ice and gas reservoirs. Overall, our results indicate that carbon isotopic evolution in massive YSO environments may follow different paths compared to low-mass YSOs

  10. Molecular Modeling of Aerospace Polymer Matrices Including Carbon Nanotube-Enhanced Epoxy

    Science.gov (United States)

    Radue, Matthew S.

    Carbon fiber (CF) composites are increasingly replacing metals used in major structural parts of aircraft, spacecraft, and automobiles. The current limitations of carbon fiber composites are addressed through computational material design by modeling the salient aerospace matrix materials. Molecular Dynamics (MD) models of epoxies with and without carbon nanotube (CNT) reinforcement and models of pure bismaleimides (BMIs) were developed to elucidate structure-property relationships for improved selection and tailoring of matrices. The influence of monomer functionality on the mechanical properties of epoxies is studied using the Reax Force Field (ReaxFF). From deformation simulations, the Young's modulus, yield point, and Poisson's ratio are calculated and analyzed. The results demonstrate an increase in stiffness and yield strength with increasing resin functionality. Comparison between the network structures of distinct epoxies is further advanced by the Monomeric Degree Index (MDI). Experimental validation demonstrates the MD results correctly predict the relationship in Young's moduli for all epoxies modeled. Therefore, the ReaxFF is confirmed to be a useful tool for studying the mechanical behavior of epoxies. While epoxies have been well-studied using MD, there has been no concerted effort to model cured BMI polymers due to the complexity of the network-forming reactions. A novel, adaptable crosslinking framework is developed for implementing 5 distinct cure reactions of Matrimid-5292 (a BMI resin) and investigating the network structure using MD simulations. The influence of different cure reactions and extent of curing are analyzed on the several thermo-mechanical properties such as mass density, glass transition temperature, coefficient of thermal expansion, elastic moduli, and thermal conductivity. The developed crosslinked models correctly predict experimentally observed trends for various properties. Finally, the epoxies modeled (di-, tri-, and tetra

  11. Molecular approaches to the photocatalytic reduction of carbon dioxide for solar fuels.

    Science.gov (United States)

    Morris, Amanda J; Meyer, Gerald J; Fujita, Etsuko

    2009-12-21

    The scientific community now agrees that the rise in atmospheric CO(2), the most abundant green house gas, comes from anthropogenic sources such as the burning of fossil fuels. This atmospheric rise in CO(2) results in global climate change. Therefore methods for photochemically transforming CO(2) into a source of fuel could offer an attractive way to decrease atmospheric concentrations. One way to accomplish this conversion is through the light-driven reduction of carbon dioxide to methane (CH(4(g))) or methanol (CH(3)OH((l))) with electrons and protons derived from water. Existing infrastructure already supports the delivery of natural gas and liquid fuels, which makes these possible CO(2) reduction products particularly appealing. This Account focuses on molecular approaches to photochemical CO(2) reduction in homogeneous solution. The reduction of CO(2) by one electron to form CO(2)(*-) is highly unfavorable, having a formal reduction potential of -2.14 V vs SCE. Rapid reduction requires an overpotential of up to 0.6 V, due at least in part to the kinetic restrictions imposed by the structural difference between linear CO(2) and bent CO(2)(*-). An alternative and more favorable pathway is to reduce CO(2) though proton-assisted multiple-electron transfer. The development of catalysts, redox mediators, or both that efficiently drive these reactions remains an important and active area of research. We divide these reactions into two class types. In Type I photocatalysis, a molecular light absorber and a transition metal catalyst work in concert. We also consider a special case of Type 1 photocatalysis, where a saturated hydrocarbon links the catalyst and the light absorber in a supramolecular compound. In Type II photocatalysis, the light absorber and the catalyst are the same molecule. In these reactions, transition-metal coordination compounds often serve as catalysts because they can absorb a significant portion of the solar spectrum and can promote activation

  12. Molecular Dynamics Simulation of a Multi-Walled Carbon Nanotube Based Gear

    Science.gov (United States)

    Han, Jie; Globus, Al; Srivastava, Deepak; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    We used molecular dynamics to investigate the properties of a multi-walled carbon nanotube based gear. Previous work computationally suggested that molecular gears fashioned from (14,0) single-walled carbon nanotubes operate well at 50-100 gigahertz. The gears were formed from nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. The gear in this study was based on the smallest multi-walled nanotube supported by some experimental evidence. Each gear was a (52,0) nanotube surrounding a (37,10) nanotube with approximate 20.4 and 16,8 A radii respectively. These sizes were chosen to be consistent with inter-tube spacing observed by and were slightly larger than graphite inter-layer spacings. The benzyne teeth were attached via 2+4 cycloaddition to exterior of the (52,0) tube. 2+4 bonds were used rather than the 2+2 bonds observed by Hoke since 2+4 bonds are preferred by naphthalene and quantum calculations by Jaffe suggest that 2+4 bonds are preferred on carbon nanotubes of sufficient diameter. One gear was 'powered' by forcing the atoms near the end of the outside buckytube to rotate to simulate a motor. A second gear was allowed to rotate by keeping the atoms near the end of its outside buckytube on a cylinder. The ends of both gears were constrained to stay in an approximately constant position relative to each other, simulating a casing, to insure that the gear teeth meshed. The stiff meshing aromatic gear teeth transferred angular momentum from the powered gear to the driven gear. The simulation was performed in a vacuum and with a software thermostat. Preliminary results suggest that the powered gear had trouble turning the driven gear without slip. The larger radius and greater mass of these gears relative to the (14,0) gears previously studied requires a

  13. Synthesis of Mesoporous Carbons from Date Pits for the Adsorption of Large Molecular Weight Micropollutants in Wastewater

    KAUST Repository

    Al Jeffrey, Ahmed

    2013-07-01

    Efficient reuse of waste water requires removal of micro-pollutants from waste water streams by affordable and sustainable methods. Activated carbon is considered a powerful adsorbent due to its high surface area and low cost of treatment, compared to other expensive methods such as membrane filtration. Producing activated carbon with larger mesoporosity (>2nm) is of particular interest in industry in the removal of larger molecular sized pollutants. This study reports the synthesis of mesoporous activated carbons from a nonsoluble biomass precursor (date-pits) along with chemical activation using ZnCl2. Thus, produced activated carbon showed high surface area and large mesopore volume up to 1571 m2/g and 2.00 cm3/g respectively. In addition, the pore size of the product was as high as 9.30 nm. As a method of verification, HRTEM (Highresolution transmission electron microscopy) was used to directly authenticate the pore size of the synthesized activated carbons. Tannic acid and atrazine were used as model waste water pollutants and the adsorption capability of the produced activated carbon for these pollutants were evaluated and compared to a commercial mesoporous carbon: G60 from Norit. The results showed that the sorption capacity of produced activated carbon for tannic acid was 2 times that of G60 while the sorption capacity of produced activated carbon for atrazine was lower than that of G60. The activated carbon was also evaluated for adsorption of real secondary effluent municipal wastewater and the results suggest that the produced activated carbon was able to sorb a greater amount of biopolymers than G60. These results demonstrate that the thus-produced activated carbon may be a promising sorbent for waste water treatment.

  14. Conversion of carbon dioxide to carbon monoxide by pulse dielectric barrier discharge plasma

    Science.gov (United States)

    Wang, Taobo; Liu, Hongxia; Xiong, Xiang; Feng, Xinxin

    2017-01-01

    The conversion of carbon dioxide (CO2) to carbon monoxide (CO) was investigated in a non-thermal plasma dielectric barrier discharge (DBD) reactor, and the effects of different process conditions on the CO2 conversion were investigated. The results showed that the increase of input power could optimize the conversion of CO2 to CO. The CO2 conversion and CO yield were negatively correlated with the gas flow rate, but there was an optimum gas flow rate, that made the CO selectivity best. The carrier gas (N2, Ar) was conducive to the conversion of CO2, and the effect of N2 as carrier gas was better than Ar. The conversion of CO2 to CO was enhanced by addition of the catalyst (5A molecular sieve).

  15. Molecular and carbon isotopic variability of hydrocarbon gases from mud volcanos in the Gulf of Cadiz, NE Atlantic.

    NARCIS (Netherlands)

    Stadnitskaia, A.; Ivanov, M.K.; Blinova, V.; Kreulen, R.; van Weering, T.C.E.

    2006-01-01

    Investigations of molecular and carbon isotopic variability of hydrocarbon gases from methane through butanes (pentanes) have been performed on six mud volcanoes from two fluid venting provinces located in the Gulf of Cadiz, NE Atlantic. The main aims were to define the basic gas types, to describe

  16. Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics : A systematic study of several common force fields

    NARCIS (Netherlands)

    Trinh, T.T.; Vlugt, T.J.H.; Kjelstrup, S.H.

    2014-01-01

    We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300–1000 K and for pressures up to 200 MPa. A direct comparison with experimental data is made. Three popular CO2

  17. Biomarker and molecular isotope approaches to deconvolve the terrestrial carbon isotope record: modern and Eocene calibrations

    Science.gov (United States)

    Diefendorf, A. F.; Freeman, K. H.; Wing, S.; Currano, E. D.

    2010-12-01

    generally 2-3‰ enriched relative to angiosperm leaves, we project that the far more abundant angiosperm lipids will be about 4-6 ‰ depleted relative to small amounts of conifer n-alkanes in natural samples. In addition, we report carbon isotope values of the terpenoids from the MVA (triterpenoids) and MEP (diterpenoids) synthesis pathways for our plant sample set. Bulk leaf tissue-to-lipid fractionation factors for terpenoids are similar and generally small, -0.4 and -0.6‰, for MVA and MEP products, respectively. Estimates of precipitation from fossil leaves at the Fifteenmile site allow us to predict leaf fractionation values for different plant types (bulk) and for triterpenoid and diterpenoid compound classes. Our fractionation factors, when applied to an estimate for the δ13C value of late Eocene CO2, agree well with bulk and molecular data. An understanding of molecular production biases greatly improves our ability to reconstruct both paleovegetation and δ13C of atmospheric CO2.

  18. Effect of drying, composting and subsequent impurity removal by sieving on the properties of digestates from municipal organic waste.

    Science.gov (United States)

    Knoop, Christine; Dornack, Christina; Raab, Thomas

    2018-02-01

    The application of organic soil amendments is a common measure to prevent structural degradation of agricultural soils and to maintain and improve long-term soil fertility. Solid residues from anaerobic digestion of municipal organic waste (MOW) are rich in nutrients and organic matter and have a promising potential to be used as soil amendment. However, no study has related amendment properties of MOW digestate of one origin to different treatment procedures. We therefore investigated the impact of drying, composting and sieving on final digestate properties and specifically nutrient availability and heavy metal and carbon elution. Samples were provided by a semi-industrial two-stage biogas plant with dry fermentation of MOW. Results confirm that in comparison to drying, composting of MOW digestates leads to a significant increase of K, P, Mg, Ca, Cd and Cr in the digestates. Sieving of composted digestates showed that heavy metals are not evenly distributed and that heavy metal concentration in the digestate increases with decreasing mesh sizes (highest concentrations in the fractions organic carbon (DOC) release (R > 0.7, p<0.05). Results confirm that the extent of carbon elution depends on the degradation rate of digestates. DOC may therefore be a good measure to evaluate digestate stability and to decide on treatment measures. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Adsorptive behavior of CO2, CH4 and their mixtures in carbon nanospace: a molecular simulation study.

    Science.gov (United States)

    Palmer, Jeremy C; Moore, Joshua D; Roussel, Thomas J; Brennan, John K; Gubbins, Keith E

    2011-03-07

    Using molecular simulation, four types of nanoporous carbons are examined as adsorbents for the separation of CO(2)/CH(4) mixtures at ambient temperature and pressures up to 10 MPa. First, the adsorption selectivity of CO(2) is investigated in carbon slit pores and single-walled carbon nanotube bundles in order to find the optimal pore dimensions for CO(2) separation. Then, the adsorptive properties of the optimized slit pore and nanotube bundle are compared with two realistic nanoporous carbon models: a carbon replica of zeolite Y and an amorphous carbon. For the four carbon models, adsorption isotherms and isosteric heats of adsorption are presented for both pure components and mixtures. Special attention is given to the calculation of excess isotherms and isosteric heats, which are necessary to assess the performance of model nanoporous materials in the context of experimental measurements. From these results, we discuss the impact that variables such as pore size, pore morphology, pressure and mixture composition have on the performance of nanoporous carbons for CO(2) separation.

  20. Long Carbon Chains in the Warm Carbon-chain-chemistry Source L1527: First Detection of C7H in Molecular Clouds

    Science.gov (United States)

    Araki, Mitsunori; Takano, Shuro; Sakai, Nami; Yamamoto, Satoshi; Oyama, Takahiro; Kuze, Nobuhiko; Tsukiyama, Koichi

    2017-09-01

    Long carbon-chain molecules were searched for toward the low-mass star-forming region L1527, which is a prototypical source of warm carbon-chain chemistry (WCCC), using the 100 m Green Bank Telescope. Long carbon-chain molecules, C7H (2Π1/2), C6H (2Π3/2 and 2Π1/2), CH3C4H, and C6H2 (cumulene carbene, CCCCCCH2), and cyclic species of C3H and C3H2O were detected. In particular, C7H was detected for the first time in molecular clouds. The column density of C7H is determined to be 6 × 1010 cm-2. The column densities of the carbon-chain molecules including CH3C4H and C6H in L1527 relative to those in the starless dark cloud Taurus Molecular Cloud-1 Cyanopolyyne Peak (TMC-1 CP) tend to be systematically lower for long carbon-chain lengths. However, the column densities of C7H and C6H2 do not follow this trend and are found to be relatively abundant in L1527. This result implies that these long carbon-chain molecules are remnants of the cold starless phase. The results—that both the remnants and WCCC products are observed toward L1527—are consistent with the suggestion that the protostar can also be born in the parent core at a relatively early stage in the chemical evolution.