Sample records for alkali aggregate reactions

  1. Alkali Aggregate Reaction in Alkali Slag Cement Mortars

    Institute of Scientific and Technical Information of China (English)


    By means of "Mortar Bar Method",the ratio of cement to aggregate was kept as a constant 1∶2.25,the water-cement ratio of the mixture was 0.40,and six prism specimens were prepared for each batch of mixing proportions with dimensions of 10×10×60mm3 at 38±2℃ and RH≥95%, the influences of content and particle size of active aggregate, sort and content of alkali component and type of slag on the expansion ratios of alkali-activated slag cement(ASC) mortars due to alkali aggregate reaction(AAR) were studied. According to atomic absorption spectrometry,the amount of free alkali was measured in ASC mortars at 90d.The results show above factors affect AAR remarkably,but no dangerous AAR will occur in ASC system when the amount of active aggregate is below 15% and the mass fraction of alkali is not more than 5% (Na2O).Alkali participated in reaction as an independent component, and some hydrates containing alkali cations were produced, free alkalis in ASC system can be reduced enormously.Moreover,slag is an effective inhibitor, the possibility of generating dangerous AAR in ASC system is much lower at same conditions than that in ordinary Portland cement system.

  2. Influence of granitic aggregates from Northeast Brazil on the alkali-aggregate reaction

    Energy Technology Data Exchange (ETDEWEB)

    Gomes Neto, David de Paiva; Santana, Rodrigo Soares de; Barreto, Ledjane Silva, E-mail: [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Ciencias dos Materiais e Engenharia; Conceicao, Herbert; Lisboa, Vinicios Anselmo Carvalho [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Geologia


    The alkali-aggregate reaction (AAR) in concrete structures is a problem that has concerned engineers and researchers for decades. This reaction occurs when silicates in the aggregates react with the alkalis, forming an expanded gel that can cause cracks in the concrete and reduce its lifespan. The aim of this study was to characterize three coarse granitic aggregates employed in concrete production in northeastern Brazil, correlating petrographic analysis with the kinetics of silica dissolution and the evolution of expansions in mortar bars, assisted by SEM/EDS, XRD, and EDX. The presence of grains showing recrystallization into individual microcrystalline quartz subgrains was associated with faster dissolution of silica and greater expansion in mortar bars. Aggregates showing substantial deformation, such as stretched grains of quartz with strong undulatory extinction, experienced slower dissolution, with reaction and expansion occurring over longer periods that could not be detected using accelerated tests with mortar bars. (author)

  3. Chemical modelling of Alkali Silica reaction: Influence of the reactive aggregate size distribution

    Energy Technology Data Exchange (ETDEWEB)

    Poyet, S. [CEA Saclay, DEN/DANS/DPC/SCCME/LECBA, F-91191 Gif Sur Yvette, (France); Sellier, A. [UPS, LMDC, INSA Toulouse, F-33077 Bordeaux 4, (France); Capra, B. [Oxand SA, F-77210 Avon (France); Foray, G. [Univ Lyon 1, L2MS, PETRA GC, F-69622 Villeurbanne (France); Torrenti, J.M. [IRSN, F-92262 Fontenay Aux Roses (France); Cognon, H. [EdF/DER Les Renardieres, F-77818 Moret Sur Loing (France); Bourdarot, E. [CIH Savoie Technolac, F-73373 Le Bourget du Lac (France)


    This article presents a new model which aims at predicting the expansion induced by Alkali Silica Reaction (ASR) and describing the chemical evolution of affected concretes. It is based on the description of the transport and reaction of alkalis and calcium ions within a Relative Elementary Volume (REV). It takes into account the influence of the reactive aggregate size grading on ASR, i.e. the effect of the simultaneous presence of different sized reactive aggregates within concrete. The constitutive equations are detailed and fitted using experimental results. Results from numerical simulations are presented and compared with experiments. (authors)

  4. Effect of Glass Powder on Chloride Ion Transport and Alkali-aggregate Reaction Expansion of Lightweight Aggregate Concrete

    Institute of Scientific and Technical Information of China (English)

    WANG Zhi; SHI Caijun; SONG Jianming


    The effects of glass powder on the strength development, chloride permeability and potential alkali-aggregate reaction expansion of lightweight aggregate concrete were investigated.Ground blast furnace slag, coal fly ash and silica fume were used as reference materials. The re-placement of cement with 25% glass powder slightly decreases the strengthes at 7 and 28 d, but shows no effect on 90 d's. Silica fume is very effective in improving both the strength and chloride penetra-tion resistance, while ground glass powder is much more effective than blast furnace slag and fly ash in improving chloride penetration resistance of the concrete. When expanded shale or clay is used as coarse aggregate, the concrete containing glass powder does not exhibit deleterious expansion even if alkali-reactive sand is used as fine aggregate of the concrete.

  5. Modelling The Effects of Aggregate Size on Alkali Aggregate Reaction Expansion

    Directory of Open Access Journals (Sweden)

    N. Z. Sekrane


    Full Text Available This work aims at developing models to predict the potential expansion of concrete containing alkali-reactive aggregates. The paper gives measurements in order to provide experimental data concerning the effect of particle size of an alkali-reactive siliceous limestone on mortar expansion. Results show that no expansion was measured on the mortars using small particles (0.5-1.0 mm while the particles (1.0–2.0 mm gave the largest expansions (0.217%. Two models are proposed, the first one studies the correlations between the measured expansions and the size of aggregates, the second one calculates the thickness of the porous zone necessary to take again all the volume of the gel created.

  6. Effect of Grain Size and Reaction Time in Characterisation of Aggregates for Alkali Silica Reaction Using Chemical Method

    Directory of Open Access Journals (Sweden)

    R.P. Pathak


    Full Text Available Concrete can deteriorate as a result of alkali aggregate reaction, an interaction between alkalis present in alkaline pore solution originating from the Portland cement and reactive minerals in certain types of aggregates. Potential reactivity of aggregates with regard to alkalis present in concrete mix can be determined by Mortar Bar method, Chemical Method and Petrographic analysis. Of these the chemical method though is quick and does not require a large quantity of material for testing yet have its own inherent limitations. It does not ensure completion of reaction as the observations are limited to 24hour only and also does not assess the effect of varying the combination of coarse and fine aggregates. A study on chemical method by allowing the reaction for a prolonged time up to 96 hours and also on different grain size ranged matrix was carried at Central Soil and Materials Research Station, New Delhi. Simultaneously the test results of the modified method are compared to the existing Mortar Bar method, Chemical Method and Petrographic analysis The outcome of the studies clearly reflects that the grain size play an important role in the reaction, the reaction time has a demarked impact on reactivity, in the cases having a high value of silica release the choice of reduction in alkalinity as an indicator of degree of reaction is not reliable, instead measuring remaining Na2O concentration in Sodium hydroxide solution after the reaction seems to be much more meaningful in justifying the silica release.

  7. Winning the battles on AAR[Alkali aggregate reaction in dams

    Energy Technology Data Exchange (ETDEWEB)

    Wood, J.


    This article discusses work carried out on four locks on the St. Lawrence Seaway to deal with the alkali aggregate reaction (AAR) in the concrete, on the Mactaquac dam on Canada's St John river which showed evidence of AAR, and also on the Paula Alfonso IV dam in Brazil where cracking was observed in concrete structures near the generators. The pattern of natural cracking is examined, and the source of the problem is identified. The use of admixtures to alleviate the problem is explored, and the utilisation of flyash, waste cement, silica fume, and lithium as concrete constituents is considered. New tests available using powdered rock flour aggregate to decrease alkali concentrations and improve cement workability are described.

  8. Alkali silica reaction in concrete induced by mortar adhered to recycled aggregate

    Directory of Open Access Journals (Sweden)

    Etxeberria, M.


    Full Text Available The durability of recycled concrete must be determined before this material can be used in construction. In this paper the alkali-silica reaction in recycled concrete is analyzed. The recycled concrete is made with recycled aggregates, composed by original limestone aggregates and adhered mortar with reactive silica sand, and high alkali content cement. Due to the manufacturing process used for concrete production and the high water absorption capacity of recycled aggregates, cement accumulation happens in the interface (ITZ. The concentration of alkalis on the surface of recycled aggregates- ITZ and the presence of reactive sand in the mortar adhering to the recycled aggregate induce an alkali-silica reaction in 6-month concrete. The existence of this reaction is confirmed by environmental scanning electron microscopy (ESEM and EDX analysis. The mechanical properties of 6-month recycled concrete were similar to those values at 28-days of curing.

    La durabilidad del hormigón fabricado con árido reciclado es necesario determinarla antes de su utilización como material de construcción. En este artículo se analiza la reacción álcali-sílice manifestada en el hormigón fabricado con árido reciclado procedente de hormigón (compuesto de árido original calizo y mortero adherido de arena sílice reactiva, y cemento de alto contenido en álcalis. Debido al proceso de fabricación del hormigón y la alta capacidad de absorción del árido reciclado se produce una acumulación del cemento en la Interfase (ITZ. Debido al contacto directo de los álcalis del cemento con la arena sílice reactiva se produce una reacción álcali sílice a los 6 meses de edad del hormigón. Se realiza un análisis mediante microscopio electrónico de barrido ambiental (ESEM y sistema analítico de EDX. Se determina que las propiedades mecánicas del hormigón reciclado a 6 meses son similares a las obtenidas a los 28 días de curado.

  9. Influence of mesostasis in volcanic rocks on the alkali-aggregate reaction

    KAUST Repository

    Tiecher, Francieli


    Mesostasis material present in the interstices of volcanic rocks is the main cause of the alkali-aggregate reaction (AAR) in concretes made with these rock aggregates. Mesostasis often is referred to as volcanic glass, because it has amorphous features when analyzed by optical microscopy. However, this study demonstrates that mesostasis in the interstitials of volcanic rocks most often consists of micro to cryptocrystalline mineral phases of quartz, feldspars, and clays. Mesostasis has been identified as having different characteristics, and, thus, this new characterization calls for a re-evaluation of their influence on the reactivity of the volcanic rocks. The main purpose of this study is to correlate the characteristics of mesostasis with the AAR in mortar bars containing basalts and rhyolites. © 2012 Elsevier Ltd. All rights reserved.

  10. Study of effect of electric arc furnace slag on expansion of mortars subjected to alkali-aggregate reaction

    Directory of Open Access Journals (Sweden)

    L. SOUZA

    Full Text Available Abstract Alkali-aggregate reaction is a chemical reaction between cement alkalis and some reactive mineral present in some aggregates, leading to concrete expansion and cracking. One kind usually observed and studied in Brazil is the alkali-silica reaction, due to its fast development. There are several methods that are effective to control and mitigate this reaction, and one of them is the partial replacement of cement by mineral additions such as pozzolans like fly-ash, silica fume and slag. In this study, we propose the use of electrical steel slag as a partial replacement of cement, evaluating its effectiveness by NBR 15577:2008, employing different proportions as replacement. It seems that the electrical steel slag, despite its expansive behavior, has been effective in the control of the ASR.

  11. Experimental Investigation of CFRP Confined Columns Damaged by Alkali Aggregate Reaction

    Directory of Open Access Journals (Sweden)

    Siti Radziah Abdullah


    Full Text Available Fiber reinforced polymer is the most effective repair material in use to enhance the strength and ductility of deteriorated reinforced concrete columns. Often, fiber reinforced polymer (FRP provides passive confinement to columns until the dilation and cracking of concrete occurs. In the case of concrete suspected of Alkali Aggregate Reaction (AAR where concrete undergoes expansion, FRP wrap provides active confinement to the expanded concrete. In this study, the performance of carbon fiber reinforced polymer (CFRP wrapped columns damaged by AAR is evaluated based on the number of FRP layers and the time of the polymer application which provides two types of confinement: active or passive. The columns were tested under axial compression to evaluate the residual strength of the columns in comparison with unwrapped columns. The results reveal that the strength of the wrapped columns is enhanced with an increase in the number of CFRP layers. The strength of the columns under passive confinement is higher than the columns under active confinement. Under active confinement, early CFRP wrapping leads to improvement in the strength of the columns.

  12. Expansion of powerhouse structures due to alkali-aggregate reaction and the use of low calcium fly ash to ameliorate the reaction in future construction

    Energy Technology Data Exchange (ETDEWEB)

    Langley, W.S. [W.S. Langley Concrete and Material Technology Inc., NS (Canada); Brown, E. [Nova Scotia Power Corp., Halifax, NS (Canada)


    A study was conducted to examine a reaction in concrete between the alkalies found in the pore fluid and certain siliceous aggregates. This reaction, called alkali-aggregate reactivity caused disruptive expansion in a concrete powerhouse structure in Nova Scotia in 1962. The structure was constructed with meta-sediments and biotite schists. This combination caused expansion and resulted in problems with the operation of the plant within 10 years after construction. Subsequent studies showed that the reactive aggregates were widespread and that the problem could be solved using 15 to 30 per cent fly ash replacement of the cement. Now, low calcium fly ash is used on a regular basis to lessen the potential for alkali-aggregate reaction. Nova Scotia fly ash was also being studied for its use as a cement replacement and enhancement of concrete durability. It was concluded that this particular fly ash is an excellent supplementary cement material to offset disruptive expansions. The fly ash has been used since the mid 1980s for solving expansion problems in powerhouses. 6 refs., 3 tabs., 12 figs.

  13. Alkali-silica reaction of aggregates for concrete pavements in Chihuahua’s State, Mexico

    Directory of Open Access Journals (Sweden)

    Olague, C.


    Full Text Available The concrete of pavements must resist the climatic conditions, heavy traffic, chemical agents or any other type of aggressive agent. A methodology for characterizing materials that would influence concrete durability was developed considering chemical and physical factors. This methodology allows the consideration of several factors like physiography, geology, and climate, among others that would be of great importance to prevent future durability problems of pavements. This methodology takes into account several tests and this paper presents the results of potential reactivity aggregates of the State of Chihuahua. The tests for evaluating the reactive siliceous aggregate and the potential alkali-silica reactivity were performed according to the: petrographic examination (ASTM C 295 and standard quick chemical test (ASTM C 289. 38% of the tested sites resulted innocuous, 48% potentially reactive and 13% reactive. It is discussed the benefit of applying a conscious methodology in order to obtain the best results with a representative quantity of tests.

    El hormigón de los pavimentos debe ser resistente a las condiciones climáticas, tránsito pesado, agentes químicos o cualquier otro tipo de agente agresivo. Se desarrolló una metodología para caracterización de materiales considerando factores físicos y químicos que influyen en la durabilidad del hormigón. Esta metodología se basa en la consideración de varios factores como: fisiografía, geología y clima, entre otros, que podrían ser de gran importancia para prevenir futuros problemas de durabilidad en pavimentos de hormigón. La metodología en cuestión considera varias pruebas, en este artículo se presentan los resultados de la reactividad potencial de los áridos del Estado de Chihuahua. Las pruebas para evaluar la reactividad de áridos silíceos y la reactividad potencial álcali-sílice fueron ejecutadas de acuerdo a: examen petrográfico (ASTM C 295 y la prueba qu

  14. Alkali-silica reactions of mortars produced by using waste glass as fine aggregate and admixtures such as fly ash and Li2CO3. (United States)

    Topçu, Ilker Bekir; Boğa, Ahmet Raif; Bilir, Turhan


    Use of waste glass or glass cullet (GC) as concrete aggregate is becoming more widespread each day because of the increase in resource efficiency. Recycling of wastes is very important for sustainable development. When glass is used as aggregate in concrete or mortar, expansions and internal stresses occur due to an alkali-silica reaction (ASR). Furthermore, rapid loss in durability is generally observed due to extreme crack formation and an increase in permeability. It is necessary to use some kind of chemical or mineral admixture to reduce crack formation. In this study, mortar bars are produced by using three different colors of glass in four different quantities as fine aggregate by weight, and the effects of these glass aggregates on ASR are investigated, corresponding to ASTM C 1260. Additionally, in order to reduce the expansions of mortars, 10% and 20% fly ash (FA) as mineral admixture and 1% and 2% Li(2)CO(3) as chemical admixture are incorporated by weight in the cement and their effects on expansion are examined. It is observed that among white (WG), green (GG) and brown glass (BG) aggregates, WG aggregate causes the greatest expansion. In addition, expansion increases with an increase in amount of glass. According to the test results, it is seen that over 20% FA and 2% Li(2)CO(3) replacements are required to produce mortars which have expansion values below the 0.2% critical value when exposed to ASR. However, usages of these admixtures reduce expansions occurring because of ASR.

  15. Assesment of Alkali Resistance of Basalt Used as Concrete Aggregates

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    al-Swaidani Aref M.


    Full Text Available The objective of this paper is to report a part of an ongoing research on the influence of using crushed basalt as aggregates on one of durability-related properties of concrete (i.e. alkali-silica reaction which is the most common form of Alkali-Aggregate Reaction. Alkali resistance has been assessed through several methods specified in the American Standards. Results of petrographic examination, chemical test (ASTM C289 and accelerated mortar bar test (ASTM C1260 have particularly been reported. In addition, the weight change and compressive strength of 28 days cured concrete containing basaltic aggregates were also reported after 90 days of exposure to 10% NaOH solution. Dolomite aggregate were used in the latter test for comparison. The experimental results revealed that basaltic rocks quarried from As-Swaida’a region were suitable for production of aggregates for concrete. According to the test results, the studied basalt aggregates can be classified as innocuous with regard to alkali-silica reaction. Further, the 10% sodium hydroxide attack did not affect the compressive strength of concrete.

  16. Chapter K: Progress in the Evaluation of Alkali-Aggregate Reaction in Concrete Construction in the Pacific Northwest, United States and Canada (United States)

    Shrimer, Fred H.


    The supply of aggregates suitable for use in construction and maintenance of infrastructure in western North America is a continuing concern to the engineering and resources-management community. Steady population growth throughout the region has fueled demand for high-quality aggregates, in the face of rapid depletion of existing aggregate resources and slow and difficult permitting of new sources of traditional aggregate types. In addition to these challenges, the requirement for aggregates to meet various engineering standards continues to increase. In addition to their physical-mechanical properties, other performance characteristics of construction aggregates specifically depend on their mineralogy and texture. These properties can result in deleterious chemical reactions when aggregate is used in concrete mixes. When this chemical reaction-termed 'alkali-aggregate reaction' (AAR)-occurs, it can pose a major problem for concrete structures, reducing their service life and requiring expensive repair or even replacement of the concrete. AAR is thus to be avoided in order to promote the longevity of concrete structures and to ensure that public moneys invested in infrastructure are well spent. Because the AAR phenomenon is directly related to the mineral composition, texture, and petrogenesis of the rock particles that make up aggregates, an understanding of the relation between the geology and the performance of aggregates in concrete is important. In the Pacific Northwest, some aggregates have a moderate to high AAR potential, but many others have no or only a low AAR potential. Overall, AAR is not as widespread or serious a problem in the Pacific Northwest as in other regions of North America. The identification of reactive aggregates in the Pacific Northwest and the accurate prediction of their behavior in concrete continue to present challenges for the assessment and management of geologic resources to the owners and operators of pits and quarries and to the

  17. RILEM recommendations for the prevention of damage by alkali-aggregate reactions in new concrete structures state-of-the-art report of the RILEM technical committee 219-ACS

    CERN Document Server

    Sims, Ian


    This book contains the full set of RILEM Recommendations which have been produced to enable engineers, specifiers and testing houses to design and produce concrete which will not suffer damage arising from alkali reactions in the concrete. There are five recommended test methods for aggregates (designated AAR-1 to AAR-5), and an overall recommendation which describes how these should be used to enable a comprehensive aggregate assessment (AAR-0). Additionally, there are two Recommended International Specifications for concrete (AAR-7.1 & 7.2) and a Preliminary International Specification for dams and other hydro structures (AAR-7.3), which describe how the aggregate assessment can be combined with other measures in the design of the concrete to produce a concrete with a minimised risk of developing damage from alkali-aggregate reactions.

  18. Effect of Pozzolanic Reaction Products on Alkali-silica Reaction

    Institute of Scientific and Technical Information of China (English)

    WEI Fengyan; LAN Xianghui; LV Yinong; XU Zhongzi


    The effect of fly ash on controlling alkali-silica reaction (ASR) in simulated alkali solution was studied. The expansion of mortar bars and the content of Ca(OH)2 in cement paste cured at 80 ℃ for 91 d were measured. Transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM) were employed to study the microstructure of C-S-H. TEM/energy dispersive spectroscopy (EDS) was then used to determine the composition of C-S-H. The pore structure of the paste was analyzed by mercury intrusion porosimetry (MIP). The results show that the contents of fly ash of 30% and 45% can well inhibit ASR. And the content of Ca(OH)2 decreases with the increase of fly ash. That fly ash reacted with Ca(OH)2 to produce C-S-H with a low Ca/Si molar ratio could bind more Na+ and K+ ions, and produce a reduction in the amount of soluble alkali available for ASR. At the same time, the C-S-H produced by pozzolanic reaction converted large pores to smaller ones (gel pores smaller than 10 nm) to densify the pore structure. Perhaps that could inhibit alkali transport to aggregate for ASR.

  19. Alkali-aggregate reactivity of typical siliceious glass and carbonate rocks in alkali-activated fly ash based geopolymers (United States)

    Lu, Duyou; Liu, Yongdao; Zheng, Yanzeng; Xu, Zhongzi; Shen, Xiaodong


    For exploring the behaviour of alkali-aggregate reactivity (AAR) in alkali-activated geopolymeric materials and assessing the procedures for testing AAR in geopolymers, the expansion behaviour of fly ash based geopolymer mortars with pure silica glass and typical carbonate rocks were studied respectively by curing at various conditions, i.e. 23°C and 38°C with relative humidity over 95%, immersed in 1M NaOH solution at 80°C. Results show that, at various curing conditions, neither harmful ASR nor harmful ACR was observed in geopolymers with the criteria specified for OPC system. However, with the change of curing conditions, the geopolymer binder and reactive aggregates may experience different reaction processes leading to quite different dimensional changes, especially with additional alkalis and elevated temperatures. It suggests that high temperature with additional alkali for accelerating AAR in traditional OPC system may not appropriate for assessing the alkali-aggregate reactivity behaviour in geopolymers designed for normal conditions. On the other hand, it is hopeful to control the dimensional change of geopolymer mortar or concrete by selecting the type of aggregates and the appropriate curing conditions, thus changing the harmful AAR in OPC into beneficial AAR in geopolymers and other alkali-activated cementitious systems.

  20. Effect of Anti-freezing Admixtures on Alkali-silica Reaction in Mortars

    Institute of Scientific and Technical Information of China (English)

    LIU Junzhe; LI Yushun; LV Lihua


    The influence of anti-freezing admixture on the alkali aggregate reaction in mortar was analyzed with accelerated methods. It is confirmed that the addition of sodium salt ingredients of anti-freezing admixture accelerates the alkali silica reaction to some extent, whereas calcium salt ingredient of anti-freezing admixture reduces the expansion of alkali silica reaction caused by high alkali cement. It is found that the addition of the fly ash considerably suppresses the expansion of alkali silica reaction induced by the anti-freezing admixtures.

  1. Effect of the Composite of Natural Zeolite and Fly Ash on Alkali-Silica Reaction

    Institute of Scientific and Technical Information of China (English)

    FENG Xiao-xin; FENG Nai-qian; HAN Dong


    The effect of the composite of natural zeolite and fly ash on alkali-silica reaction ( ASR ) was studied with natural alkali-reactive aggregate and quartz glass aggregate respecthvely. The expansive experiment of mortar bar and concrete prism was completed. The results show that ASR can be suppressed effectively by the composite of natural zeolite and fly ash.

  2. In situ alkali-silica reaction observed by x-ray microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kurtis, K.E.; Monteiro, P.J.M. [Univ. of California, Berkeley, CA (United States); Brown, J.T.; Meyer-Ilse, W. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)


    In concrete, alkali metal ions and hydroxyl ions contributed by the cement and reactive silicates present in aggregate can participate in a destructive alkali-silica reaction (ASR). This reaction of the alkalis with the silicates produces a gel that tends to imbibe water found in the concrete pores, leading to swelling of the gel and eventual cracking of the affected concrete member. Over 104 cases of alkali-aggregate reaction in dams and spillways have been reported around the world. At present, no method exists to arrest the expansive chemical reaction which generates significant distress in the affected structures. Most existing techniques available for the examination of concrete microstructure, including ASR products, demand that samples be dried and exposed to high pressure during the observation period. These sample preparation requirements present a major disadvantage for the study of alkali-silica reaction. Given the nature of the reaction and the affect of water on its products, it is likely that the removal of water will affect the morphology, creating artifacts in the sample. The purpose of this research is to observe and characterize the alkali-silica reaction, including each of the specific reactions identified previously, in situ without introducing sample artifacts. For observation of unconditioned samples, x-ray microscopy offers an opportunity for such an examination of the alkali-silica reaction. Currently, this investigation is focusing on the effect of calcium ions on the alkali-silica reaction.

  3. Alkali-Silica Reaction Inhibited by LiOH and Its Mechanism

    Institute of Scientific and Technical Information of China (English)


    A high alkali reactive aggregate-zeolitization perlite was used to test the long-term effectiveness of LiOH in inhibiting alkali-silica reaction.In this paper,the rigorous conditions were designed that the mortar bars had been cured at 80℃ for 3 years after autoclaved 24 hours at 150℃.Under this condition,LiOH was able to inhibit the alkali-silica reaction long-term effectiveness.Not only the relationship between the molar ratio of n(Li)/(Na) and the alkali contents in systems was established, but also the governing mechanism of such effects was also studied by SEM.

  4. Effect of Mineral Admixtures on Alkali-Silica Reaction

    Institute of Scientific and Technical Information of China (English)

    ZHANG Chengzhi; WANG Aiqin


    The influence of silica fume,slag and fly ash on alkali-silica reaction under the condition of 70℃ is studied.The results show that silica,slag and fly ash may inhibit alkali-silica reaction only under suitable content.When the content is less than 10%,silica fume does not markedly influence the expansion of alkali-silica reaction.When the content is 15%-20%,silica fume only may delay the expansion of alkali-silica reaction.When the content is 30%-70%,slag may only delay the expansion of alkali-silica reaction,but cannot inhibit the expansion of alkali-silica reaction.When the content is 10%,fly ash does not markedly influence the expansion of alkali-silica reaction.When the content is 20%-30%,fly ash may only delay the expansion of alkali-silica reaction,but cannot inhibit the expansion of alkali-silica reaction.When the content is over 50%,it is possible that fly ash can inhibit effectively alkali-silica reaction.

  5. Alkali-silica reaction resistant concrete using pumice blended cement (United States)

    Ramasamy, Uma

    Durability of structures is a major challenge for the building industry. One of the many types of concrete deterioration that can affect durability is alkali-silica reaction (ASR). ASR has been found in most types of concrete structures, including dams, bridges, pavements, and other structures that are 20 to 50 years old. The degradation mechanism of ASR produces a gel that significantly expands in the presence of water as supplied from the surrounding environment. This expansion gel product can create high stresses and cracking of the concrete, which can lead to other forms of degradation and expensive structural replacement costs. The four essential factors that produce an expansive ASR gel in concrete are the presence of alkalis, siliceous aggregate, moisture, and free calcium hydroxide (CH). If concrete is starved of any one of these essential components, the expansion can be prevented. Reducing CH through the use of a supplementary cementitious material (SCM) such as natural pozzolan pumice is the focus of this research. By using a pozzolan, the amount of CH is reduced with time based on the effectiveness of the pozzolan. Many pozzolans exist, but one such naturally occurring pozzolanic material is pumice. This research focuses on determining the effect of a finely ground pumice as a SCM in terms of its resistance to ASR expansion, as well as improving resistance to other potential concrete durability mechanisms. In spite of having high alkali contents in the pumice, mixtures containing the SCM pumice more effectively mitigated the ASR expansion reaction than other degradation mechanisms. Depending on the reactivity of the aggregates and fineness of the pumice, 10-15% replacement of cement with the pumice was found to reduce the ASR expansion to the acceptable limits. The amount of CH remaining in the concrete was compared to the ASR expansion in order to improve understanding of the role of CH in the ASR reaction. Thermo-gravimetric analysis (TGA) and X

  6. Influence of alkalis from different sources than cement in the evolution of alkali-silica reaction

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    Olague, C.


    Full Text Available A bibliographical revision of the existent literature allows showing symptoms of alkali-silica reaction (ASR in highways, and the practical and economic method uranyl acetate to confirm the presence of ASR. The existence of reaction in concrete pavements of Chihuahua City was verified by a visual observation of patterns cracks, examination of gel deposits and the presence of reactive materials. Considering that the cement used to construct this pavements with problems of ASR, was low alkalis cement, the research was devoted to study the influence of alkalis coming from different sources than cement in the evolution of reaction such as: a aggregates: gravel and sand, b mix water, c additives and d minerals additions The initial classification of cements like high and low alkalis concerned to ASR must be revised for accept the fact that there is not a unique maximum limit alkalis of cement under which the expansible reactivity cannot occur.

    Una revisión bibliográfica de la literatura existente permite mostrar las manifestaciones de reacción álcali-sílice (RAS en estructuras de carreteras y el método práctico y económico de acetato de uranilo para confirmar la presencia de RAS. La existencia de la reacción en pavimentos de hormigón de la ciudad de Chihuahua se pudo confirmar tras la observación visual de modelos de grietas, estudios de depósitos de gel y existencia de fuentes de materiales reactivos. Considerando que el cemento utilizado para construir los tramos de pavimento con problemas de RAS, era un cemento bajo en álcalis, se enfocó la investigación al estudio de la influencia de los álcalis provenientes de fuentes distintas al cemento en la evolución de la reacción tales como: a áridos gruesos y finos, b agua de mezclado, c aditivos y d adiciones minerales El concepto inicial de clasificación de cementos altos y bajos en álcalis con respecto a la RAS debe ser revisado para aceptar el hecho de que no hay un solo

  7. The role of residual cracks on alkali silica reactivity of recycled glass aggregates

    DEFF Research Database (Denmark)

    Maraghechi, Hamed; Shafaatian, Seyed-Mohammad-Hadi; Fischer, Gregor


    Despite its environmental and economical advantages, crushed recycled glass has limited application as concrete aggregates due to its deleterious alkali-silica reaction. To offer feasible mitigation strategies, the mechanism of ASR should be well understood. Recent research showed that unlike some...... natural aggregates, soda-lime glass undergoes ASR within cracks in the interior of glass particles and not at glass–paste interface. These cracks originate during bottle crushing and propagate further by ASR. This paper examines whether glass aggregates could become innocuous if these cracks are healed...... by annealing or when the crack widths are smaller than a critical size. The results confirm that glass annealed at 650°C for 40min or particles containing cracks smaller than approximately 2.5μm can be considered innocuous based on ASTM C1260. Also larger glass particles contain significantly higher...

  8. Famed Bulgarian physicists. I. St. Petroff's Goettingen research of the photostimulated interconversions of color centers in alkali halides: the discovery of the photostimulated aggregation

    CERN Document Server

    Georgiev, Mladen


    This essay tells briefly of the life and work of one of the most successful scientists originating from a Balkan settlement whose name and popularity have greatly exceeded its realm. The word is of a discovery during WWII of the photostimulated aggregation of the F centers (else alkali atoms) dissolved from the vapor into an alkali halide crystal. Using optical absorption techniques while a grantee of Humboldt's Foundation in Goettingen, Germany between 1943-1944, he found new absorption bands pertaining to small-size F center aggregates and followed their interconversions. A primary photochemical solid state reaction was evidenced for the first time leading to nanoscale products.

  9. Assessment of Alkali-Silica Reaction Damage in Mortars with Nonlinear Ultrasonic Techniques (United States)

    Chen, J.; Jayapalan, A. R.; Kurtis, K. E.; Kim, J.-Y.; Jacobs, L. J.


    In this work, a nonlinear ultrasonic modulation technique is employed to assess the damage state of portland cement mortar samples induced by alkali-silica reaction (ASR). Due to the nonlinear interaction of propagating waves caused by distributed microcracks that are agitated from its equilibrium state, the ultrasonic responses of samples produce sideband frequencies around the frequency of propagating waves. The amplitude of the sidebands depends on the amplitude of the input signals and is particularly sensitive to the state of damage evolved in the sample. Therefore, the development of internal microcracks with increasing duration of exposure to aggressive conditions can be quantitatively related to the variation of external ultrasonic measurements. The ultrasonic results are compared with results from standard ASR expansion measurements (ASTM C 1260), and a proportionally increasing relation was found in the early stages. In addition, aggregates with different alkali-reactivity (i.e., low reactivity or high reactivity) were examined in a similar manner. The results indicate that the nonlinear parameter obtained from ultrasonic tests directly reflects the difference of aggregate reactivity. This clearly indicates that the developed nonlinear ultrasonic method is potentially a good alternative for a more rapid and still reliable assessment of aggregate alkali-reactivity.

  10. Microstructural Changes Due to Alkali-Silica Reaction during Standard Mortar Test

    Directory of Open Access Journals (Sweden)

    Jun-Ho Shin


    Full Text Available The microstructural development of mortar bars with silica glass aggregate undergoing alkali-silica reaction (ASR under the conditions of American Society for Testing and Materials (ASTM Standard Test C1260 was analyzed using scanning electron microscopy and qualitative X-ray microanalysis. Cracking in the aggregate, the hydrated paste, and the paste-aggregate interface was important in the development of the microstructure. Cracks were characterized according to their location, their relationship to other cracks, and whether they are filled with ASR gel. Expansion of the bars was approximately 1% at 12 days and 2% at 53 days. They fell apart by 63 days. The bars contained two zones, an inner region that was undergoing ASR and an outer and much more highly damaged zone that extended further inward over time. Evidence of ASR was present even during the period when specimens were immersed in water, prior to immersion in NaOH solution.

  11. Modeling of alkali-silica reaction in concrete:a review

    Institute of Scientific and Technical Information of China (English)



    This paper presents a comprehensive review of modeling of alkali-silica reaction (ASR) in concrete.Such modeling is essential for investigating the chemical expansion mechanism and the subsequent influence on the mechanical aspects of the material.The concept of ASR and the mechanism of expansion are first outlined,and the stateof-the-art of modeling for ASR,the focus of the paper,is then presented in detail.The modeling includes theoretical approaches,meso-and macroscopic models for ASR analysis.The theoretical approaches dealt with the chemical reaction mechanism and were used for predicting pessimum size of aggregate.Mesoscopic models have attempted to explain the mechanism of mechanical deterioration of ASR-affected concrete at material scale.The macroscopic models,chemomechanical coupling models,have been generally developed by combining the chemical reaction kinetics with linear or nonlinear mechanical constitutive,and were applied to reproduce and predict the long-term behavior of structures suffering from ASR.Finally,a conclusion and discussion of the modeling are given.

  12. Assessment of concrete bridge decks with alkali silica reactions

    DEFF Research Database (Denmark)

    Eriksen, Kirsten; Jansson, Jacob; Geiker, Mette Rica


    Based on investigations of concrete from an approximately 40 years old bridge a procedure to support the management of maintenance and repair of alkali silica damaged bridges is proposed. Combined petrography and accelerated expansion testing were undertaken on cores from the Bridge at Skovdiget......, Bagsværd, Denmark to provide information on the damage condition as well as the residual reactivity of the concrete. The Danish Road Directory’s guidelines for inspection and assessment of alkali silica damaged bridges will be briefly presented, and proposed modifications will be describe...

  13. Study on alkali reaction of nickel slag and nickel slag-sand mixtures in Ningde region%宁德地区镍渣及其复掺砂的碱活性研究

    Institute of Scientific and Technical Information of China (English)



    The article discussed the alkali reaction of nickel slag and aggregate mixed with natural sand through petrographic method and al -kali-aggregate reaction .The results showed that the nickel slag could not be used as aggregate in concrete because of its potential alkali -aggregate damage .The research also showed that the potential alkali -aggregate damage could be reduced by mixing natural sand , and there was no alkali-aggregate harm to the aggregate when the natural sand content was not less than 50%.%本文通过岩相法和快速碱-骨料反应法研究了镍渣及其复掺砂的碱活性。研究表明镍渣具有潜在碱-骨料反应危害,不宜单独用作混凝土骨料。通过复掺标准砂可以降低碱-骨料反应危害,实验表明当标准砂掺量不低于50%时,复掺砂不存在碱-骨料反应危害。

  14. Quantitative diagnosis and prognosis framework for concrete degradation due to alkali-silica reaction (United States)

    Mahadevan, Sankaran; Neal, Kyle; Nath, Paromita; Bao, Yanqing; Cai, Guowei; Orme, Peter; Adams, Douglas; Agarwal, Vivek


    This research is seeking to develop a probabilistic framework for health diagnosis and prognosis of aging concrete structures in nuclear power plants that are subjected to physical, chemical, environment, and mechanical degradation. The proposed framework consists of four elements: monitoring, data analytics, uncertainty quantification, and prognosis. The current work focuses on degradation caused by ASR (alkali-silica reaction). Controlled concrete specimens with reactive aggregate are prepared to develop accelerated ASR degradation. Different monitoring techniques — infrared thermography, digital image correlation (DIC), mechanical deformation measurements, nonlinear impact resonance acoustic spectroscopy (NIRAS), and vibro-acoustic modulation (VAM) — are studied for ASR diagnosis of the specimens. Both DIC and mechanical measurements record the specimen deformation caused by ASR gel expansion. Thermography is used to compare the thermal response of pristine and damaged concrete specimens and generate a 2-D map of the damage (i.e., ASR gel and cracked area), thus facilitating localization and quantification of damage. NIRAS and VAM are two separate vibration-based techniques that detect nonlinear changes in dynamic properties caused by the damage. The diagnosis results from multiple techniques are then fused using a Bayesian network, which also helps to quantify the uncertainty in the diagnosis. Prognosis of ASR degradation is then performed based on the current state of degradation obtained from diagnosis, by using a coupled thermo-hydro-mechanical-chemical (THMC) model for ASR degradation. This comprehensive approach of monitoring, data analytics, and uncertainty-quantified diagnosis and prognosis will facilitate the development of a quantitative, risk informed framework that will support continuous assessment and risk management of structural health and performance.

  15. Reactions between cold methyl halide molecules and alkali-metal atoms. (United States)

    Lutz, Jesse J; Hutson, Jeremy M


    We investigate the potential energy surfaces and activation energies for reactions between methyl halide molecules CH3X (X = F, Cl, Br, I) and alkali-metal atoms A (A = Li, Na, K, Rb) using high-level ab initio calculations. We examine the anisotropy of each intermolecular potential energy surface (PES) and the mechanism and energetics of the only available exothermic reaction pathway, CH3X + A → CH3 + AX. The region of the transition state is explored using two-dimensional PES cuts and estimates of the activation energies are inferred. Nearly all combinations of methyl halide and alkali-metal atom have positive barrier heights, indicating that reactions at low temperatures will be slow.

  16. Methods for Controlling Effects of Alkali-Silica Reaction in Concrete. (United States)


    and high-alkali RC-756(2) cements were used. The reactive aggregates were opal, glassy igneous rock, and chert produced by crushing chert gravel. As...tridymite High- and low-temperature Minor cristobalite I i %’I There was probably also some amorphous material. Similar work with a separate hand sample...CONIP STESNOTE. 0. psi WALSE SET-0EN Pd U AUTOCLAVE SRP..%U-O INITAL 5*N/I INAL SET. NO/- :4( AUTOCLAVE SEP.. % INTIAL. SET. NOR/-S FINAL. SGT

  17. Alkali metal mediated C-C bond coupling reaction. (United States)

    Tachikawa, Hiroto


    Metal catalyzed carbon-carbon (C-C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz)2, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz)2, the structure of [Li(Bz)2](-) was drastically changed: Bz-Bz parallel form was rapidly fluctuated as a function of time, and a new C-C single bond was formed in the C1-C1' position of Bz-Bz interaction system. In the hole capture, the intermolecular vibration between Bz-Bz rings was only enhanced. The mechanism of C-C bond formation in the electron capture was discussed on the basis of theoretical results.

  18. Markov chain aggregation and its applications to combinatorial reaction networks. (United States)

    Ganguly, Arnab; Petrov, Tatjana; Koeppl, Heinz


    We consider a continuous-time Markov chain (CTMC) whose state space is partitioned into aggregates, and each aggregate is assigned a probability measure. A sufficient condition for defining a CTMC over the aggregates is presented as a variant of weak lumpability, which also characterizes that the measure over the original process can be recovered from that of the aggregated one. We show how the applicability of de-aggregation depends on the initial distribution. The application section is devoted to illustrate how the developed theory aids in reducing CTMC models of biochemical systems particularly in connection to protein-protein interactions. We assume that the model is written by a biologist in form of site-graph-rewrite rules. Site-graph-rewrite rules compactly express that, often, only a local context of a protein (instead of a full molecular species) needs to be in a certain configuration in order to trigger a reaction event. This observation leads to suitable aggregate Markov chains with smaller state spaces, thereby providing sufficient reduction in computational complexity. This is further exemplified in two case studies: simple unbounded polymerization and early EGFR/insulin crosstalk.

  19. The Effect of Variation of Molarity of Alkali Activator and Fine Aggregate Content on the Compressive Strength of the Fly Ash: Palm Oil Fuel Ash Based Geopolymer Mortar

    Directory of Open Access Journals (Sweden)

    Iftekhair Ibnul Bashar


    Full Text Available The effect of molarity of alkali activator, manufactured sand (M-sand, and quarry dust (QD on the compressive strength of palm oil fuel ash (POFA and fly ash (FA based geopolymer mortar was investigated and reported. The variable investigated includes the quantities of replacement levels of M-sand, QD, and conventional mining sand (N-sand in two concentrated alkaline solutions; the contents of alkaline solution, water, POFA/FA ratio, and curing condition remained constant. The results show that an average of 76% of the 28-day compressive strength was found at the age of 3 days. The rate of strength development from 3 to 7 days was found between 12 and 16% and it was found much less beyond this period. The addition of 100% M-sand and QD shows insignificant strength reduction compared to mixtures with 100% N-sand. The particle angularity and texture of fine aggregates played a significant role in the strength development due to the filling and packing ability. The rough texture and surface of QD enables stronger bond between the paste and the fine aggregate. The concentration of alkaline solution increased the reaction rate and thus enhanced the development of early age strength. The use of M-sand and QD in the development of geopolymer concrete is recommended as the strength variation between these waste materials and conventional sand is not high.

  20. The alkali–aggregate reaction for various aggregates used in concrete

    Directory of Open Access Journals (Sweden)

    Calderón, V.


    Full Text Available The aim of this work is to contribute to the knowledge of the interactions between aggregates and the components of the interstitial phase of concrete and to determine whether those aggregates that are subsequently used in the manufacture of concrete are reagents and are therefore likely to undergo a progressive deterioration of their initial properties. An initial petrographic study of each aggregate is performed in order to be able to determine its subsequent behaviour and reactivity under the influence of various factors. The potential reactivity of different silicaceous aggregates (slates, gneiss, hornfels, granites, quartzite and serpentine is then determined by a chemical method for evaluating the potential reactivity of aggregates and an accelerated method in mortar specimens, and finally the surface reactivity is investigated. The results of these studies suggest that some aggregates are able to react with the components of the interstitial phase of concrete. The existence of this kind of interaction is confirmed by the results of the surface investigations before and after the basic reaction.

    Este trabajo pretende contribuir al conocimiento de las reacciones de interacción entre los áridos y los componentes de la fase intersticial del hormigón y determinar si estos áridos, empleados posteriormente en la fabricación del hormigón, son reactivos y por tanto susceptibles de provocar una disminución progresiva de sus propiedades iniciales. Para la caracterización de cada árido se ha realizado un estudio petrográfico, fundamental a la hora de determinar su posterior comportamiento en términos de reactividad frente a diversos factores. Seguidamente, se ha analizado la reactividad potencial de diferentes áridos silicatados (pizarras, gneis, corneanas, granitos, cuarcita y serpentina mediante los dos métodos normalizados existentes: el método químico para la determinación de la reactividad potencial de áridos y

  1. A plug flow model for chemical reactions and aerosol nucleation and growth in an alkali-containing flue gas

    DEFF Research Database (Denmark)

    Christensen, K. A.; Livbjerg, Hans


    multicomponent growth models are treated. The local gas phase composition is determined from a gas phase chemical equilibrium calculation combined with finite reaction rate kinetics for slower reactions. The model is useful in the analysis of boiler operation with respect to the formation of particles, HCl, SO2......The paper presents a numerical model for the simulation of gas to particle conversion and the chemical changes during cooling of a flue gas from the combustion of fuels rich in volatile alkali species. For the homogeneous nucleation of alkali species the model uses the classical theory modified...

  2. Insights into alkali-silica reaction damage in mortar through acoustic nonlinearity (United States)

    Rashidi, M.; Kim, J.-Y.; Jacobs, L. J.; Kurtis, K. E.


    The progression of damage as a result of alkali-silica reaction in mortar samples is monitored by using the Nonlinear Impact Resonance Acoustic Spectroscopy (NIRAS) method and expansion measurements, which were performed daily. Results of this study show a strong correlation between the cumulative average nonlinearity parameter and expansion for each sample type, and a strong linear relationship between fourteen-day expansion and the cumulative average nonlinearity of among sample types. In addition to the cumulative average nonlinearity parameter, the standard deviation of average nonlinearity parameter shows strong correlation with the fourteen-day expansion of sample types. Results provide insights to the relationship with the acoustic nonlinearity and damage caused by the ASR.

  3. Microwave material characterization of alkali-silica reaction (ASR) gel in cementitious materials (United States)

    Hashemi, Ashkan

    Since alkali-silica reaction (ASR) was recognized as a durability challenge in cement-based materials over 70 years ago, numerous methods have been utilized to prevent, detect, and mitigate this issue. However, quantifying the amount of produced ASR byproducts (i.e., ASR gel) in-service is still of great interest in the infrastructure industry. The overarching objective of this dissertation is to bring a new understanding to the fundamentals of ASR formation from a microwave dielectric property characterization point-of-view, and more importantly, to investigate the potential for devising a microwave nondestructive testing approach for ASR gel detection and evaluation. To this end, a comprehensive dielectric mixing model was developed with the potential for predicting the effective dielectric constant of mortar samples with and without the presence of ASR gel. To provide pertinent inputs to the model, critical factors on the influence of ASR gel formation on dielectric and reflection properties of several mortar samples were investigated at R, S, and X-band. Effects of humidity, alkali content, and long-term curing conditions on ASR-prone mortars were also investigated. Additionally, dielectric properties of chemically different synthetic ASR gel were also determined. All of these, collectively, served as critical inputs to the mixing model. The resulting developed dielectric mixing model has the potential to be further utilized to quantify the amount of produced ASR gel in cement-based materials. This methodology, once becomes more mature, will bring new insight to the ASR reaction, allowing for advancements in design, detection and mitigation of ASR, and eventually has the potential to become a method-of-choice for in-situ infrastructure health-monitoring of existing structures.

  4. Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, Vivek [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cai, Guowei [Idaho National Lab. (INL), Idaho Falls, ID (United States); Gribok, Andrei V. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mahadevan, Sankaran [Idaho National Lab. (INL), Idaho Falls, ID (United States)


    Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presented in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.

  5. Classification of alkali-silica reaction and corrosion distress using acoustic emission (United States)

    Abdelrahman, Marwa; ElBatanouny, Mohamed; Serrato, Michael; Dixon, Kenneth; Larosche, Carl; Ziehl, Paul


    The Nuclear Regulatory Commission regulates approximately 100 commercial nuclear power reactor facilities that contribute about 20% of the total electric energy produced in the United States. Half of these reactor facilities are over 30 years old and are approaching their original design service life. Due to economic and durability considerations, significant portions of many of the facilities were constructed with reinforced concrete, including the containment facilities, cooling towers, and foundations. While most of these concrete facilities have performed exceptionally well throughout their initial expected service life, some are beginning to exhibit different forms of concrete deterioration. In this study, acoustic emission (AE) is used to monitor two main concrete deterioration mechanisms; alkali-silica reaction (ASR) distress and corrosion of reinforcing steel. An accelerated ASR test was conducted where specimens were continuously monitored with AE. The results show that AE can detect and classify damage due to ASR distress in the specimens. AE was also used to remotely monitor active corrosion regions in a reactor facility. AE monitoring of accelerated corrosion testing was also conducted on a concrete block specimen cut from a similar reactor building. Electrochemical measurements were conducted to correlate AE activity to quantifiable corrosion measurements and to enhance capabilities for service life prediction.

  6. Use of Fly Ash in the Mitigation of Alkali-Silica Reaction in Concrete (United States)


    crystallinity of the silica and its solubility. Common reactive minerals susceptible to ASR include strained quartz, cristobalite , opal, obsidian, chert, and...residues, whereas alkali-silica reactive components include opal, cristobalite , tridymite, siliceous and some intermediate volcanic glass, chert

  7. The Influence of Calcined Clay Pozzolan, Low-Cao Steel Slag and Granite Dust On the Alkali-Silica Reaction in Concrete


    James Sarfo-Ansah; Eugene Atiemo


    The influence of low CaO steel slag, calcined clay and granite dust on the alkali-silica reaction was investigated over a period of 35 days under accelerated curing conditions. The mineral admixtures were used to replace varying portions of high alkali Portland limestone cement up to an admixture content of 25% in order to study their effect on the alkali-silica reaction (ASR). Portland limestone cement used for the study had a total Na2Oeq of 4.32. XRD analysis of hydrated mortar...

  8. Methane coupling reaction in an oxy-steam stream through an OH radical pathway by using supported alkali metal catalysts

    KAUST Repository

    Liang, Yin


    A universal reaction mechanism involved in the oxidative coupling of methane (OCM) is demonstrated under oxy-steam conditions using alkali-metal-based catalysts. Rigorous kinetic measurements indicated a reaction mechanism that is consistent with OH radical formation from a H 2O-O2 reaction followed by C-H activation in CH 4 with an OH radical. Thus, the presence of water enhances both the CH4 conversion rate and the C2 selectivity. This OH radical pathway that is selective for the OCM was observed for the catalyst without Mn, which suggests clearly that Mn is not the essential component in a selective OCM catalyst. The experiments with different catalyst compositions revealed that the OH.-mediated pathway proceeded in the presence of catalysts with different alkali metals (Na, K) and different oxo anions (W, Mo). This difference in catalytic activity for OH radical generation accounts for the different OCM selectivities. As a result, a high C2 yield is achievable by using Na2WO4/SiO2, which catalyzes the OH.-mediated pathway selectively. Make it methane: A universal reaction mechanism involved in the oxidative coupling of methane is demonstrated under oxy-stream conditions by using alkali-metal-based catalysts. Rigorous kinetic measurements indicated a reaction mechanism that is consistent with OH radical formation from an H2O-O2 reaction, followed by C-H activation in CH4 with an OH radical. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Competitive inhibition reaction mechanisms for the two-step model of protein aggregation. (United States)

    Whidden, Mark; Ho, Allison; Ivanova, Magdalena I; Schnell, Santiago


    We propose three new reaction mechanisms for competitive inhibition of protein aggregation for the two-step model of protein aggregation. The first mechanism is characterized by the inhibition of native protein, the second is characterized by the inhibition of aggregation-prone protein and the third mechanism is characterized by the mixed inhibition of native and aggregation-prone proteins. Rate equations are derived for these mechanisms, and a method is described for plotting kinetic results to distinguish these three types of inhibitors. The derived rate equations provide a simple way of estimating the inhibition constant of native or aggregation-prone protein inhibitors in protein aggregation. The new approach is used to estimate the inhibition constants of different peptide inhibitors of insulin aggregation.

  10. Gene Wash and Copper Basin Dams are surviving alkali-aggregate reaction

    Energy Technology Data Exchange (ETDEWEB)

    Hill, C.J.


    Gene Wash and Copper Basin Dams were constructed in 1937 and 1938, and are owned and operated by the Metropolitan Water District of Southern California (MWD). The dams are located in San Bernardino County, California, close to the Colorado River, and very close to the easternmost point of California. They form two intermediate storage facilities on the Colorado River Aqueduct system which conveys water from Lake Havasu to the Los Angeles and San Diego areas. The locations of the dams are shown. Gene Wash Dam is a concrete arch structure, with a maximum height of arch of 131 feet. There is a gravity thrust block on the right abutment and the total crest length is 430 feet. Copper Basin Dam is a concrete arch dam with a maximum height of arch of 187 feet and a crest length of 253 feet. Plans, elevations and sections for both dams. The dams are in the Whipple Mountains at the eastern edge of the Mojave Desert. Between June and October, maximum temperatures usually exceed 100 degrees Farenheit, while daily low temperatures in this period are generally in the 60`s and 70`s. Winter temperatures are mild, with daytime highs in the 70`s and 80`s, and lows only occasionally below freezing. The area is arid, with total annual rainfall generally between two and ten inches. Both dams were built in desert washes with no permanent flow. The foundation for both structures is a strong, erosion-resistant, red-brown, non-marine sandstone and conglomerate of Tertiary age known as the Copper Basin Formation (Buwalda, 1937). Spillways for both dams are ungated ogee crests, which are separate from the dams. Gene Wash Dam and Copper Basin Dam are geographically close together, are of similar design, and were constructed at the same time, using the same materials. Their performance since construction, not surprisingly, has been similar.

  11. Continuous Dependence in Front Propagation for Convective Reaction-Diffusion Models with Aggregative Movements

    Directory of Open Access Journals (Sweden)

    Luisa Malaguti


    Full Text Available The paper deals with a degenerate reaction-diffusion equation, including aggregative movements and convective terms. The model also incorporates a real parameter causing the change from a purely diffusive to a diffusive-aggregative and to a purely aggregative regime. Existence and qualitative properties of traveling wave solutions are investigated, and estimates of their threshold speeds are furnished. Further, the continuous dependence of the threshold wave speed and of the wave profiles on a real parameter is studied, both when the process maintains its diffusion-aggregation nature and when it switches from it to another regime.

  12. Reaction of chromalumozirconium refractory with alkali-free borosilicate glass melt

    Energy Technology Data Exchange (ETDEWEB)

    Popov, O.N.; Frolova, V.P.


    The corrosion mechanism of chromalumozirconium refractory synthesized on the base of the Cr/sub 2/O/sub 3/-Al/sub 2/O/sub 3/-ZrO/sub 2/-SiO/sub 2/ system by the alkali-free borosilicate ''E'' glass melt is investigated. It is estalished that in the process of refractory destruction the diffusion zonality is formed in it being a reflection of comparative migration activity of refractory components.

  13. Reactions of chromium-aluminum-zirconium refractory with a molten alkali-free borosilicate glass

    Energy Technology Data Exchange (ETDEWEB)

    Popov, O.N.; Frolova, V.P.


    The authors consider the scope for using KhTs-45 refractory containing in mass % 45.0 Cr2O3, 5.0 Al2O3, 32.5 ZrO2, 16.0 SiO2, and 1.5 Na2O for melting alkali-free borosilicate glass E, and they also present some experimental results on the corrosion of the refractory in contact with the molten glass and on the contact mineral formation. They conclude that during the attack on the refractory diffusion zoning is formed, which reflects the relative component migration activities.

  14. Diffusion with chemical reaction: An attempt to explain number density anomalies in experiments involving alkali vapor (United States)

    Snow, W. L.


    The mutual diffusion of two reacting gases is examined which takes place in a bath of inert gas atoms. Solutions are obtained between concentric spheres, each sphere acting as a source for one of the reactants. The calculational model is used to illustrate severe number density gradients observed in absorption experiments with alkali vapor. Severe gradients result when sq root k/D R is approximately 5 where k, D, and R are respectively the second order rate constant, the multicomponent diffusion constant, and the geometrical dimension of the experiment.

  15. Effect of charge density in chain extension reactions involving complexes of 4, 4'-diaminodiphenylmethane and various alkali metal salts (United States)

    Deshmukh, Subrajeet; Carrasquillo, Katherine; Tsai, Fang Chang; Wu, Lina; Hsu, Shaw Ling; University of Massachusetts Amherst Team

    Controlling the reaction of methylene diphenyl diisocyanate (MDI)-terminated polyester prepolymer and 4, 4'-diaminodiphenylmethane (MDA) is extremely important in many large scale applications. The ion-diamine complex has the advantage of blocking the instantaneous reaction between the diamine and isocyanate from taking place until it is released at elevated temperatures. We synthesized complexes of MDA with various alkali metal salts. These complexes create a barrier between the diamine and isocyanate thus preventing the premature reaction. We compared the complexes in terms of their dissociation and the subsequent curing with the prepolymer. Charge density had a tremendous effect. DSC showed that Na complexes dissociated at a lower temperature and needed less energy to dissociate than the Li complexes. The effect of change in cation on complex dissociation was more pronounced compared to the change in anion. Also, the ionic liquid introduced greatly altered the dissociation behavior. Temperature and time resolved IR spectroscopy was used to monitor the urea and NH band. By DSC and IR, we showed that NaCl complex is best suited for the curing of prepolymer with regards to curing temperature and energy.

  16. Petrographic atlas characterisation of aggregates regarding potential reactivity to alkalis : RILEM TC 219-ACS recommended guidance AAR-1.2, for use with the RILEM AAR-1.1 petrographic examination method

    CERN Document Server

    Ribeiro, Maria; Broekmans, Maarten; Sims, Ian


    This RILEM AAR 1.2 Atlas is complementary to the petrographic method described in RILEM AAR 1.1. It is designed and intended to assist in the identification of alkali-reactive rock types in concrete aggregate by thin-section petrography. Additional issues include: • optical thin-section petrography conforming to RILEM AAR 1.1 is considered the prime assessment method for aggregate materials, being effective regarding cost and time. Unequivocal identification of minerals in very-fine grained rock types may however require use of supplementary methods. • the atlas adheres to internationally adopted schemes for rock classification and nomenclature, as recommended in AAR 1.1. Thus, rock types are classified as igneous, sedimentary or metamorphic based upon mineral content, microstructure and texture/fabric. • in addition, the atlas identifies known alkali-reactive silica types in each rock type presented. It also identifies consistent coincidence between certain lithologies and silica types; however, it ref...

  17. Application of micro X-ray diffraction to investigate the reaction products formed by the alkali silica reaction in concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Dähn, R.; Arakcheeva, A.; Schaub, Ph.; Pattison, P.; Chapuis, G.; Grolimund, D.; Wieland, E.; Leemann, A. (Ecole); (PSI); (Phase Solutions); (ESRF)


    Alkali–silica reaction (ASR) is one of the most important deterioration mechanisms in concrete leading to substantial damages of structures worldwide. Synchrotron-based micro-X-ray diffraction (micro-XRD) was employed to characterize the mineral phases formed in micro-cracks of concrete aggregates as a consequence of ASR. This particular high spatial resolution technique enables to directly gain structural information on ASR products formed in a 40-year old motorway bridge damaged due to ASR. Micro-X-ray-fluorescence was applied on thin sections to locate the reaction products formed in veins within concrete aggregates. Micro-XRD pattern were collected at selected points of interest along a vein by rotating the sample. Rietveld refinement determined the structure of the ASR product consisting of a new layered framework similar to mountainite and rhodesite. Furthermore, it is conceivable that understanding the structure of the ASR product may help developing new technical treatments inhibiting ASR.

  18. Reaction-diffusion-advection approach to spatially localized treadmilling aggregates of molecular motors (United States)

    Yochelis, Arik; Bar-On, Tomer; Gov, Nir S.


    Unconventional myosins belong to a class of molecular motors that walk processively inside cellular protrusions towards the tips, on top of actin filament. Surprisingly, in addition, they also form retrograde moving self-organized aggregates. The qualitative properties of these aggregates are recapitulated by a mass conserving reaction-diffusion-advection model and admit two distinct families of modes: traveling waves and pulse trains. Unlike the traveling waves that are generated by a linear instability, pulses are nonlinear structures that propagate on top of linearly stable uniform backgrounds. Asymptotic analysis of isolated pulses via a simplified reaction-diffusion-advection variant on large periodic domains, allows to draw qualitative trends for pulse properties, such as the amplitude, width, and propagation speed. The results agree well with numerical integrations and are related to available empirical observations.

  19. Shear-induced reaction-limited aggregation kinetics of brownian particles at arbitrary concentrations. (United States)

    Zaccone, Alessio; Gentili, Daniele; Wu, Hua; Morbidelli, Massimo


    The aggregation of interacting brownian particles in sheared concentrated suspensions is an important issue in colloid and soft matter science per se. Also, it serves as a model to understand biochemical reactions occurring in vivo where both crowding and shear play an important role. We present an effective medium approach within the Smoluchowski equation with shear which allows one to calculate the encounter kinetics through a potential barrier under shear at arbitrary colloid concentrations. Experiments on a model colloidal system in simple shear flow support the validity of the model in the concentration range considered. By generalizing Kramers' rate theory to the presence of shear and collective hydrodynamics, our model explains the significant increase in the shear-induced reaction-limited aggregation kinetics upon increasing the colloid concentration.

  20. Development of microwave and impedance spectroscopy methods for in-situ nondestructive evaluation of alkali silica reaction in concrete (United States)

    Heifetz, Alexander; Bakhtiari, Sasan; Lu, Juan; Aranson, Igor S.; Vinokur, Valerii M.; Bentivegna, Anthony F.


    Aging concrete degradation due to alkali silica reaction (ASR) is a challenge to sustainability of critical infrastructure, such as nuclear power plants. Currently, there is no standard, nondestructive method for detecting ASR in concrete. We report on the progress in developing electromagnetic (EM) methods, consisting of microwave and impedance spectroscopy techniques, for nondestructive detection of ASR. The microwave and impedance spectroscopy methods are complementary since they provide information about material electrical properties in GHz and Hz to KHz EM spectral bands, respectively. Preliminary studies were conducted using accelerated testing concrete prism specimens developed according to ASTM C1293 standard. Microwave and impedance spectroscopy measurements were performed on ASR specimens at the first and the second month maturity level, as well as on age-matched controls. Microwave tests consisted of reflection and transmission measurements using dielectric-loaded antennas, with the focus on X-band spectrum. Impedance measurements were performed using flexible electrode patches. Measurement results by both microwave and impedance spectroscopy methods indicate observable differences in electrical properties between reactive and non-reactive specimens. In addition, trends in measurement data obtained with the two complementary EM techniques are consistent and correlate with ASR progression in specimens.

  1. Comparison of the Rates of Uni- and Bi-Molecular Diffusion Controlled Reactions on Circular, Filled Aggregate and DLA Fractal Aggregate in Two Dimensions. (United States)


    CLASSIFICATION Of THIS PAGIL(Whan Data Entered) It is found that the reaction rates of OLA agigregates are comnatible with * that of circular aggregates with...NOSC Wayne State University Code 521 Detroit, Michigan 49207 San Diego, California 91232 Or. W.E. Moerner I.B.M. Corporation Almaden Research Center 650

  2. Alkali- or acid-induced changes in structure, moisture absorption ability and deacetylating reaction of β-chitin extracted from jumbo squid (Dosidicus gigas) pens. (United States)

    Jung, Jooyeoun; Zhao, Yanyun


    Alkali- or acid-induced structural modifications in β-chitin from squid (Dosidicus gigas, d'Orbigny, 1835) pens and their moisture absorption ability (MAA) and deacetylating reaction were investigated and compared with α-chitin from shrimp shells. β-Chitin was converted into the α-form after 3h in 40% NaOH or 1-3 h in 40% HCl solution, and α-chitin obtained from NaOH treatment had higher MAA than had native α-chitin, due to polymorphic destructions. In contrast, induced α-chitin from acid treatment of β-chitin had few polymorphic modifications, showing no significant change (P>0.05) in MAA. β-Chitin was more susceptible to alkali deacetylation than was α-chitin, and required a lower concentration of NaOH and shorter reaction time. These results demonstrate that alkali- or acid-treated β-chitin retained high susceptibility toward solvents, which in turn resulted in good biological activity of β-chitosan for use as a natural antioxidant and antimicrobial substance or application as edible coatings and films for various food applications.

  3. Deformation Behaviour of Geopolymer Mortars with Alkali-reactive Carbonate Aggregate%含碱活性碳酸盐骨料地质聚合物砂浆的变形行为

    Institute of Scientific and Technical Information of China (English)

    郑彦增; 卢都友; 刘永道; 许仲梓


    为探究传统碱–碳酸盐反应(ACR)机理和碱活性碳酸盐骨料在地质聚合物中的反应行为,对比研究了含纯白云石(YT)和含加拿大 Kingston 白云质灰岩(CK)地质聚合物砂浆分别在不同养护条件[室温相对湿度(RH)大于 95%、38 ℃时 RH〉95%和 80 ℃时 1mol/L NaOH 溶液]下的变形行为。结果显示:YT 在 3 种养护条件地质聚合物中仅起填料作用而使砂浆收缩略有减小;含 CK 地质聚合物砂浆随温度和/或碱度变化呈现显著不同的变形行为,特别是在 38 ℃、RH 〉 95%和 80 ℃、1 mol/L NaOH 溶液条件下分别于不同养护阶段产生微小膨胀;预示 CK 在地质聚合物体系中的反应机制可能与硅酸盐水泥体系中的显著不同,通过选择特定的碳酸盐骨料和养护条件,可望实现地质聚合物体系变形的调控%For understanding the alkali-carbonate reactivity in geopolymer and the mechanism of traditional alkali-carbonate reaction (ACR), the deformation behavior of geopolymer mortar with pure dolomite (YT) and dolomitic limestone from Kingston, Canada (CK) was studied by curing at different conditions, i.e. room tenaperature with over 95% relative humidity (RH), 38 ℃ RH 〉 95% and 80 ℃ 1 mol/L NaOH. Results show that, at the three curing conditions, YT only acts as a filler to slightly reduce the shrinkage of the mortar; The deformation behavior of geopolymer mortar with CK varies remarkably with the changes in the curing temperature and alkalinity, especially the mortars with CK expand slightly at different curing stages when cured at 38 ℃ RH〉95% and 80 ℃ 1 mol/L NaOH; it suggests that the reaction mechanism of CK in geopolymer may be quite different with that in cement system, and the shrinkage of geopolymer might be compensated by selecting special carbonate aggregate and curing conditions.

  4. Coral kin aggregations exhibit mixed allogeneic reactions and enhanced fitness during early ontogeny

    Directory of Open Access Journals (Sweden)

    Chadwick Nanette E


    Full Text Available Abstract Background Aggregated settlement of kin larvae in sessile marine invertebrates may result in a complex array of compatible and incompatible allogeneic responses within each assemblage. Each such aggregate can, therefore, be considered as a distinct self-organizing biological entity representing adaptations that have evolved to maximize the potential benefits of gregarious settlement. However, only sparse information exists on the selective forces and ecological consequences of allogeneic coalescence. Results We studied the consequences of aggregated settlement of kin larvae of Stylophora pistillata (a Red Sea stony coral, under controlled laboratory settings. When spat came into contact, they either fused, establishing a chimera, or rejected one another. A one-year study on growth and survivorship of 544 settled S. pistillata genotypes revealed six types of biological entities: (1 Single genotypes (SG; (2 Bi-chimeras (BC; (3 Bi-rejecting genotypes (BR; (4 Tri-chimera entities (TC; (5 Three-rejecting genotypes (TR; and (6 Multi-partner entities (MP; consisting of 7.5 ± 2.6 partners. Analysis of allorecognition responses revealed an array of effector mechanisms: real tissue fusions, transitory fusions and six other histoincompatible reactions (borderline formation, sutures, overgrowth, bleaching, rejection, and partner death, disclosing unalike onsets of ontogeny and complex modes of appearance within each aggregate. Evaluations at the entity level revealed that MP entities were the largest, especially in the first two months (compared with SG: 571% in the first month and 162% in the seventh month. However, at the genotype level, the SG entities were the largest and the colonies with the highest-cost-per-genotype were the TR and the MP colonies. The cost was calculated as reduced average genotype size, from 27% and 12% in the first month to 67% and 64% in the seventh month, respectively. In general, MP exhibited the highest survivorship

  5. Evaluation of cross-linked aggregates from purified Bacillus subtilis levansucrase mutants for transfructosylation reactions

    Directory of Open Access Journals (Sweden)

    Munguia Agustin


    Full Text Available Abstract Background Increasing attention has been focused on inulin and levan-type oligosaccharides, including fructosyl-xylosides and other fructosides due to their nutraceutical properties. Bacillus subtilis levansucrase (LS catalyzes the synthesis of levan from sucrose, but it may also transfer the fructosyl moiety from sucrose to acceptor molecules included in the reaction medium. To study transfructosylation reactions with highly active and robust derivatives, cross-linked enzyme aggregates (CLEAs were prepared from wild LS and two mutants. CLEAs combine the catalytic features of pure protein preparations in terms of specific activity with the mechanical behavior of industrial biocatalysts. Results Two types of procedures were used for the preparation of biocatalysts from purified wild type LS (WT LS B. subtilis and the R360K and Y429N LS mutants: purified enzymes aggregated with glutaraldehyde (cross-linked enzyme aggregates: CLEAs, and covalently immobilized enzymes in Eupergit C®. The biocatalysts were characterized and used for fructoside synthesis using xylose as an acceptor model. CLEAs were able to catalyze the synthesis of fructosides as efficiently as soluble enzymes. The specific activity of CLEAs prepared from wild type LS (44.9 U/mg of CLEA, R360K (56.5 U/mg of CLEA and Y429N (1.2 U/mg of CLEA mutants were approximately 70, 40 and 200-fold higher, respectively, than equivalent Eupergit C® immobilized enzyme preparations (U/mg of Eupergit, where units refer to global LS activity. In contrast, the specific activity of the free enzymes was 160, 171.2 and 1.5 U/mg of protein, respectively. Moreover, all CLEAs had higher thermal stability than corresponding soluble enzymes. In the long term, the operational stability was affected by levan synthesis. Conclusion This is the first report of cross-linked transglycosidases aggregates. CLEAs prepared from purified LS and mutants have the highest specific activity for immobilized

  6. Ambiguity of exhaustive diagnosing of alkali-aggregate reaction for concrete revetments subjected to more aggressive factors

    Energy Technology Data Exchange (ETDEWEB)

    Olteanu, A.; Dragomir, D. [ISPH, Design and Studies Institute for Hydro Power Projects, Bucharest (Romania); Hulea, D. [Romanian Electricity Authority, Bucharest (Romania)


    On the Bistrita river, in the downstream section of Bicaz gravity dam that is 125 m high and creates a 1,500 hm{sup 3} reservoir, have been additionally built eight low head power stations interconnected by headrace and tailrace channels. These channels of 61 km total length convey water to and from the power stations and have been performed using embankment and excavation. The ground where these channels were located is of sandy clay nature with gypseous layers intercalation. The geometrical characteristics of the channels are as follows: trapezoidal section of 1V:2H slope and 6 m width at base, the water head ranging between 4 and 6 m. Both the apron and the channels slopes have been sealed using 5 x 4 m and 15 cm thick concrete slabs. Two or three slab rows are located under the water level. Channels were commissioned in 1964, and shortly after their commissioning, failures came forth and aggravated, calling for several repairs in more than 30 operation years. Concrete was exclusively damaged within the upper slabs in the area of variable water level in channel. All along the paper, there are mentioned only these slabs because the other ones in the submerged rows of slabs are practically undamaged.

  7. The Influence of Calcined Clay Pozzolan, Low-Cao Steel Slag and Granite Dust On the Alkali-Silica Reaction in Concrete

    Directory of Open Access Journals (Sweden)

    James Sarfo-Ansah


    Full Text Available The influence of low CaO steel slag, calcined clay and granite dust on the alkali-silica reaction was investigated over a period of 35 days under accelerated curing conditions. The mineral admixtures were used to replace varying portions of high alkali Portland limestone cement up to an admixture content of 25% in order to study their effect on the alkali-silica reaction (ASR. Portland limestone cement used for the study had a total Na2Oeq of 4.32. XRD analysis of hydrated mortar bar samples confirmed the formation of an expansive sodium silica gel in the reference Portland cement mortar bar as the agent responsible for ASR. Stable calcium silicates were formed in the mortar bars containing calcined clay in increasing quantities whilst the presence of the sodium silicate gel decreased.The occurrence of these stable silicates in hydrated samples containing steel slag and granite dust was however minimal, compared to calcined clay cement mortars. The highest expansion was recorded for granite dust mortar bars, reaching a maximum of 25.98% at 35 days. Mortar-bar expansion decreased as calcined clay content in the cement increased;mortar bars with 25% calcined clay were the least expansive recording expansion less than 0.1% at all test ages. Whilst the expansion was reduced by between 42.5% and 107.8% at 14 days with increasing calcined clay content, expansion rather increased between 36.8% and 169.5% at 14 days with increasing granite dust content.Steel slag mortar bars experienced reduction in 14 days expansion between 14.3% - 46.2%.The study confirms that steel slag and calcined clay pozzolan have greater influence on ASR in mortar bars than granite dust and shows that calcined clay and low CaO steel slag could be considered as remedial admixtures for ASR at replacement levels of 25% and 15% respectively.

  8. Mecanismes d'action des fines et des granulats de verre sur la reaction alcali-silice et la reaction pouzzolanique (United States)

    Idir, Rachida

    Recycling composite glass with different colours in order to be manufactured into new glass products is at present not economically viable. Therefore, the search for new issues other than stockpile areas or dumping sites could be a serious opportunity. To a certain extent, one of the possible solutions is to use the recycled glass in manufacturing cements and in the preparation of concrete mixtures. However, it is essential to manage the two main behaviours that the glass can have when used in cement-based materials: (1) the use of glass as coarse aggregates reveals harmful behaviour related to alkali-silica reaction; (2) on the other hand, it can result in useful behaviour related to pozzolanic reaction if used as fine particles. Furthermore, the significant alkali content should not be overlooked as their mass corresponds to about 13% of the total mass of the glass and as they may activate the alkali-silica reaction. An experimental programme was conducted to provide answers to the various questions raised about the use of glass in cement-based materials. The first part of this work was primarily devoted to the evaluation of the reactive potential of glass in mortars (alkali and pozzolanic reactions). At this stage, nine classes of glass particles ranging from 3mum to 2.5 mm were considered. Then, fine glass particles were used in order to counteract the negative effect of some classes of coarse aggregates having revealed alkali-reactive behaviour. The second part of this work was performed to study the mechanisms that could explain the behaviours of fine and coarse particles in aqueous and concentrated environments. Different answers have been proposed to explain the observed behaviour in terms of grain sizes of glass. Keywords: Glass, Powder, Pozzolan, aggregates, alkali-reaction, alkali-aggregate reaction, alkali-silica reaction, Pouzzolanicity, alkalis, Mortars

  9. Computational molecular technology towards macroscopic chemical phenomena-molecular control of complex chemical reactions, stereospecificity and aggregate structures

    Energy Technology Data Exchange (ETDEWEB)

    Nagaoka, Masataka [Graduate School of Information Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601 (Japan); Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency (JST), Honmachi, Kawaguchi 332-0012 (Japan); ESICB, Kyoto University, Kyodai Katsura, Nishikyo-ku, Kyoto 615-8520 (Japan)


    A new efficient hybrid Monte Carlo (MC)/molecular dynamics (MD) reaction method with a rare event-driving mechanism is introduced as a practical ‘atomistic’ molecular simulation of large-scale chemically reactive systems. Starting its demonstrative application to the racemization reaction of (R)-2-chlorobutane in N,N-dimethylformamide solution, several other applications are shown from the practical viewpoint of molecular controlling of complex chemical reactions, stereochemistry and aggregate structures. Finally, I would like to mention the future applications of the hybrid MC/MD reaction method.

  10. Unified ZnO Q-dot growth mechanism from simultaneous UV-Vis and EXAFS monitoring of sol-gel reactions induced by different alkali base (United States)

    Caetano, Bruno L.; Silva, Marlon N.; Santilli, Celso V.; Briois, Valérie; Pulcinelli, Sandra H.


    This article aims to give experimental evidences of the universality of main steps involved in ZnO nanoparticles formation and growth from sol-gel process. In this way, we revisit the effect of the alkali base (LiOH, NaOH, KOH) used to induce the hydrolysis-condensation reaction in order to unfold the ZnO Q-dot formation mechanisms by using simultaneous time resolved monitoring of zinc species and Q-dot size by combining EXAFS and UV-Vis spectroscopy. Irrespective of the alkali base used, nucleation and growth of ZnO Q-dots occur by consumption of zinc oxy-acetate precursor. Higher amounts of ZnO nanocrystal are produced as the strength of the base increases. After achieving the steady state equilibrium regime the Q-dot growth occurs initially by oriented attachment coalescence mechanism followed by the Ostwald ripening coarsening. The dependence of the formation and growth mechanisms on the base strength allows the fine tuning of the Q-dot size and photoluminescence properties.

  11. Reaction-induced fracturing in a hot pressed calcite-periclase aggregate (United States)

    Kuleci, H.; Ulven, O. I.; Rybacki, E.; Wunder, B.; Abart, R.


    The chemo-mechanical feedbacks associated with hydration of periclase immersed in a calcite matrix were investigated experimentally. Dense calcite-periclase aggregates with calcite to periclase ratio of 90/10 and 95/5 by volume were prepared by hot isostatic pressing. Subsequent hydration experiments were performed in a hydrothermal apparatus at temperatures of 580-610 °C and a pressure of 200 MPa for run durations of 5-60 min. The rate of the periclase to brucite transformation was primarily controlled by the access of fluid. Where fluid was present, the reaction was too fast for the associated positive volume increase of the solids of about 100% to be accommodated by creep of the calcite matrix, and fracturing was induced. The newly formed cracks greatly enhanced the access of fluid leading to a positive feedback between hydration and fracturing. Mostly the newly formed cracks follow pre-existing grain boundaries in the calcite matrix. Comparison of experimental results with numerical 2D discrete element modelling (DEM) of crack formation revealed that the geometry of the crack pattern around a reacting particle depends on the shape of the original periclase particle, on the mechanical strength of the particle-matrix interface and on the mechanical strength and arrangement of grain boundaries in the calcite matrix in the immediate vicinity of the swelling particle.

  12. Alkali metal ion catalysis and inhibition in nucleophilic displacement reactions at phosphorus centers: ethyl and methyl paraoxon and ethyl and methyl parathion. (United States)

    Um, Ik-Hwan; Shin, Young-Hee; Lee, Seung-Eun; Yang, Kiyull; Buncel, Erwin


    We report on the ethanolysis of the P=O and P=S compounds ethyl and methyl paraoxon (1a and 1b) and ethyl and methyl parathion (2a and 2b). Plots of spectrophotometrically measured rate constants, kobsd versus [MOEt], the alkali ethoxide concentration, show distinct upward and downward curvatures, pointing to the importance of ion-pairing phenomena and a differential reactivity of free ions and ion pairs. Three types of reactivity and selectivity patterns have been discerned: (1) For the P=O compounds 1a and 1b, LiOEt > NaOEt > KOEt > EtO-; (2) for the P=S compound 2a, KOEt > EtO- > NaOEt > LiOEt; (3) for P=S, 2b, 18C6-crown-complexed KOEt > KOEt = EtO(-) > NaOEt > LiOEt. These selectivity patterns are characteristic of both catalysis and inhibition by alkali-metal cations depending on the nature of the electrophilic center, P=O vs P=S, and the metal cation. Ground-state (GS) vs transition-state (TS) stabilization energies shed light on the catalytic and inhibitory tendencies. The unprecedented catalytic behavior of crowned-K(+) for the reaction of 2b is noteworthy. Modeling reveals an extreme steric interaction for the reaction of 2a with crowned-K(+), which is responsible for the absence of catalysis in this system. Overall, P=O exhibits greater reactivity than P=S, increasing from 50- to 60-fold with free EtO(-) and up to 2000-fold with LiOEt, reflecting an intrinsic P=O vs P=S reactivity difference (thio effect). The origin of reactivity and selectivity differences in these systems is discussed on the basis of competing electrostatic effects and solvational requirements as function of anionic electric field strength and cation size (Eisenman's theory).

  13. Combined cross-linked enzyme aggregates of horseradish peroxidase and glucose oxidase for catalyzing cascade chemical reactions. (United States)

    Nguyen, Le Truc; Yang, Kun-Lin


    Cascade reactions involved unstable intermediates are often encountered in biological systems. In this study, we developed combined cross-linked enzyme aggregates (combi-CLEA) to catalyze a cascade reaction which involves unstable hydrogen peroxide as an intermediate. The combi-CLEA contains two enzymes̶ glucose oxidase (GOx) and horseradish peroxidase (HRP) which are cross-linked together as solid aggregates. The first enzyme GOx catalyzes the oxidation of glucose and produces hydrogen peroxide, which is used by the second enzyme HRP to oxidize 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS). The apparent reaction rate of the cascade reaction reaches 10.5±0.5μM/min when the enzyme ratio is 150:1 (GOx:HRP). Interestingly, even in the presence of catalase, an enzyme that quickly decomposes hydrogen peroxide, the reaction rate only decreases by 18.7% to 8.3±0.3μM/min. This result suggests that the intermediate hydrogen peroxide is not decomposed by catalase due to a short diffusion distance between GOx and HRP in the combi-CLEA. Scanning electron microscopy images suggest that combi-CLEA particles are hollow spheres and have an average diameter around 250nm. Because of their size, combi-CLEA particles can be entrapped inside a nylon membrane for detecting glucose by using the cascade reaction.

  14. Investigation of Usability as Aggregate of Different Originated Rocks (United States)

    Başpinar Tuncay, Ebru; Kilinçarslan, Şemsettin; Yağmurlu, Fuzuli


    The general properties of aggregate can determine the performance and durability of the concrete. In this study, mineralogical, petrographic, mechanical, physical and chemical properties of the rock samples of different origin (limestone, recrystallized limestone, dolomite, sand and gravel, tephra-phonolite, trachybasalt) were determined. Samples were obtained from different origin rocks units and they have been classified in three different sizes of aggregate with crushing and screening method. Grading, classification of particle, loose bulk density, water absorption ratio, flakiness index, coefficient of Los Angeles, resistance to freeze-loosening and alkali-silica reaction of aggregates and organic matter determination has been determined. The rocks have been investigated in compliance with the relevant standards. Trachybasalt and dolomite have higher particle density than other rocks. In addition, strength and flexural strength of these rocks are higher than other rocks. Tephra-phonolite has the lowest water absorption rate. At the same time resistance to freeze loosening of Tephra- phonolite is lower than the other rocks. Resistance to fragmentation and the resistance to wear of all of rocks are quite high. Sand and gravel, tephra-phonolite and trachybasalt are evaluated in terms of alkali-silica reaction. Sand and gravel are more reactive than the other aggregates. Organic matter content of the aggregates is low for the quality of aggregate. Also high correlation between some properties of aggregates was observed. For example, high correlation between compressive strength and flexural strength, water absorption and porosity, resistance to fragmentation and the resistance to ware (Micro-Deval).

  15. GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Hai [Idaho National Lab. (INL), Idaho Falls, ID (United States); Spencer, Benjamin W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cai, Guowei [Vanderbilt Univ., Nashville, TN (United States)


    Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document the progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture

  16. Alcali-silica reactions: Mechanisms for crack formations

    DEFF Research Database (Denmark)

    Goltermann, Per


    Alkali-silica reactions (ASR) are found all over the world and cause a large number of damage, which have lead to different sets of requirements in the different countries for the aggregates, the cements and the admixtures. One of the reasons for the damage and the different requirements is that ...

  17. Comparison of rat connective tissue reaction to two types of foreign and Iranian white Mineral Trioxide Aggregate

    Directory of Open Access Journals (Sweden)

    Vosough Hosseini S.


    Full Text Available "nBackground and Aim: Three Dimensional obturation of root canal is one of the main goals of root canal therapy to preserve health or reach the regeneration or healing of periapical tissues. Root end filling materials are used in numerous situations to reach the mentioned goals. One of the common root end- filling materials is mineral trioxide aggregate (MTA which the foreign and Iranian ones are different in their prices. The aim of this study was to compare the rat connective tissue reaction to Iranian and foreign MTA. "nMaterials and Methods: This was an animal study in which 40 rats were divided into 5 groups of each 8. The polyethylene tubes filled with foreign (Pro Root MTA and Iranian (Root MTA white MTA and were implanted in subcutaneous connective tissue. Similarly, the empty tubes were inserted in subcutaneous connective tissue as control group. The samples were examined histologically after 7, 14, 30, 60 and 90 days and were scored as followings: 0, was characterized to samples without inflammatory cells; without inflammatory reaction 1, for samples with less than 25 inflammatory cells; mild inflammatory reaction. 2, for samples with 25 to 125 inflammatory cells; moderate inflammatory reaction and 3, for ones with more than 125 inflammatory cells; severe inflammatory reaction. The data were analyzed using Kruskal-Wallis test and p<0.05 was considered as the level of significance. "nResults: In general, inflammatory reactions were reduced in all groups. Experimental groups had moderate to severe inflammation in the 7th day which had significant difference with the control group having mild to moderate inflammation (p=0.04. There was not any significant differences between experimental and control group in 14th, 30th, 60th and 90th days (p>0.05. "nConclusion: Based on the findings of this investigation, inflammatory subcutaneous connective tissue reaction to Iranian (Root MTA and foreign (Pro Root MTA MTA was the same.

  18. A thermodynamic and kinetic model for paste–aggregate interactions and the alkali–silica reaction

    Energy Technology Data Exchange (ETDEWEB)

    Guthrie, George D., E-mail:; Carey, J. William


    A new conceptual model is developed for ASR formation based on geochemical principles tied to aqueous speciation, silica solubility, kinetically controlled mineral dissolution, and diffusion. ASR development is driven largely by pH and silica gradients that establish geochemical microenvironments between paste and aggregate, with gradients the strongest within the aggregate adjacent to the paste boundary (i.e., where ASR initially forms). Super-saturation of magadiite and okenite (crystalline ASR surrogates) occurs in the zone defined by gradients in pH, dissolved silica, Na{sup +}, and Ca{sup 2} {sup +}. This model provides a thermodynamic rather than kinetic explanation of why quartz generally behaves differently from amorphous silica: quartz solubility does not produce sufficiently high concentrations of H{sub 4}SiO{sub 4} to super-saturate magadiite, whereas amorphous silica does. The model also explains why pozzolans do not generate ASR: their fine-grained character precludes formation of chemical gradients. Finally, these gradients have interesting implications beyond the development of ASR, creating unique biogeochemical environments.

  19. Theory of metal atom-water interactions and alkali halide dimers (United States)

    Jordan, K. D.; Kurtz, H. A.


    Theoretical studies of the interactions of metal atoms with water and some of its isoelectronic analogs, and of the properties of alkali halides and their aggregates are discussed. Results are presented of ab initio calculations of the heats of reaction of the metal-water adducts and hydroxyhydrides of Li, Be, B, Na, Mg, and Al, and of the bond lengths and angles an; the heats of reaction for the insertion of Al into HF, H2O, NH3, H2S and CH3OH, and Be and Mg into H2O. Calculations of the electron affinities and dipole moments and polarizabilities of selected gas phase alkali halide monomers and dimers are discussed, with particular attention given to results of calculations of the polarizability of LiF taking into account electron correlation effects, and the polarizability of the dimer (LiF)2.

  20. Rate of diffusion-limited reactions for a fractal aggregate of reactive spheres (United States)

    Tseng, Chin-Yao; Tsao, Heng-Kwong


    We study the reaction rate for a fractal cluster of perfectly absorbing, stationary spherical sinks in a medium containing a mobile reactant. The effectiveness factor eta, which is defined as the ratio of the total reaction rate of the cluster to that without diffusional interactions, is calculated. The scaling behavior of eta is derived for arbitrary fractal dimension based on the Kirkwood-Riseman approximation. The asymptotic as well as the finite size scaling of eta are confirmed numerically by the method of multipole expansion, which has been proven to be an excellent approximation. The fractal assembly is made of N spheres with its dimension varying from D1, eta][approx(ln N)-1 for D=1, and eta][approxN0 for D1 the screening effect of diffusive interactions grows with the size, for Ddecays with decreasing D. The conclusion is also applicable to transport phenomena like dissolution, heat conduction, and sedimentation.

  1. Photoionization in alkali lasers. (United States)

    Knize, R J; Zhdanov, B V; Shaffer, M K


    We have calculated photoionization rates in alkali lasers. The photoionization of alkali atoms in the gain medium of alkali lasers can significantly degrade the laser performance by reducing the neutral alkali density and with it the gain. For a ten atmosphere Rb laser and a Cs exciplex laser, the photoionization induced alkali atom loss rates are greater than 10(5) sec(-1). These high loss rates will quickly deplete the neutral alkali density, reducing gain, and may require fast, possibly, supersonic flow rates to sufficiently replenish the neutral medium for CW operation.

  2. Milk-alkali syndrome (United States)

    ... this page: // Milk-alkali syndrome To use the sharing features on this page, please enable JavaScript. Milk-alkali syndrome is a condition in which there ...

  3. Alkali Induced Morphology and Property Improvements of TiO2 by Hydrothermal Treatment

    Institute of Scientific and Technical Information of China (English)

    HE Qiong; WEN Xianming; MA Peihua; DENG Xiaochuan


    Alkali induced morphology and property improvements of TiO2 by hydrothermal reaction were investigated.The products were characterized by SEM,TEM,XRD,TG,EDX,FT-IR and DRS.The results indicate that,with the phase transformation from anatase to rutile,the morphologies changed from high aggregated particles to nanofibers with the diameter of about 100 nm and the length up to several tens of micrometers,meanwhile the process is controllable by manipulating the nature of the alkali,alkalinity and hydrothermal temperature.DRS analysis shows the property improvement of the nanofibers in the UV-Vis light absorption compared with the raw materials,implying the products have potential application in photocatalysis.

  4. Reaction of rat subcutaneous tissue to mineral trioxide aggregate and Portland cement: A secondary level biocompatibility test

    Directory of Open Access Journals (Sweden)

    P Karanth


    Full Text Available Objectives: This secondary-level animal study was conducted to assess and compare the subcutaneous tissue reaction to implantation of white mineral trioxide aggregate (MTA and white Portland cement. Study Design: Polyethylene tubes filled with either freshly mixed white MTA (Group I or white Portland cement (Group II were implanted subcutaneously into 12 Wistar Albino rats. Each animal also received an empty polyethylene tube as the control (Group III. After 7, 14, 21 and 30 days, the implants, together with surrounding tissues were excised. Two pathologists blinded to the experimental procedure, evaluated sections taken from the biopsy specimens for the severity of the inflammatory response, calcification and the presence and thickness of fibrous capsule surrounding the implant. Statistical analysis was performed using the Cross-tabs procedure, Univariate analysis of the variance two-way and the Pearson product moment correlation to assess inter-rater variability between the two evaluators. Results: At 7 days, there was no significant difference in the severity of inflammation between the control group, white MTA, and white Portland cement groups. In the 14 day, 21 day and 30 day test periods, control group had significantly less inflammation than white MTA and white Portland cement. There was no significant difference in the grading of inflammation between white MTA and white Portland cement. All materials exhibited thick capsule at 7 days and thin capsule by 30 days. Conclusion: Both white MTA and white Portland cement were not completely non-irritating at the end of 30 days as evidenced by the presence of mild inflammation. However, the presence of a thin capsule around the materials, similar to the control group, indicates good tissue tolerance. White MTA and white Portland cement seem to be materials of comparable biocompatibility.

  5. Alkali cation specific adsorption onto fcc(111) transition metal electrodes. (United States)

    Mills, J N; McCrum, I T; Janik, M J


    The presence of alkali cations in electrolyte solutions is known to impact the rate of electrocatalytic reactions, though the mechanism of such impact is not conclusively determined. We use density functional theory (DFT) to examine the specific adsorption of alkali cations to fcc(111) electrode surfaces, as specific adsorption may block catalyst sites or otherwise impact surface catalytic chemistry. Solvation of the cation-metal surface structure was investigated using explicit water models. Computed equilibrium potentials for alkali cation adsorption suggest that alkali and alkaline earth cations will specifically adsorb onto Pt(111) and Pd(111) surfaces in the potential range of hydrogen oxidation and hydrogen evolution catalysis in alkaline solutions.

  6. Reuse of ground waste glass as aggregate for mortars. (United States)

    Corinaldesi, V; Gnappi, G; Moriconi, G; Montenero, A


    This work was aimed at studying the possibility of reusing waste glass from crushed containers and building demolition as aggregate for preparing mortars and concrete. At present, this kind of reuse is still not common due to the risk of alkali-silica reaction between the alkalis of cement and silica of the waste glass. This expansive reaction can cause great problems of cracking and, consequently, it can be extremely deleterious for the durability of mortar and concrete. However, data reported in the literature show that if the waste glass is finely ground, under 75mum, this effect does not occur and mortar durability is guaranteed. Therefore, in this work the possible reactivity of waste glass with the cement paste in mortars was verified, by varying the particle size of the finely ground waste glass. No reaction has been detected with particle size up to 100mum thus indicating the feasibility of the waste glass reuse as fine aggregate in mortars and concrete. In addition, waste glass seems to positively contribute to the mortar micro-structural properties resulting in an evident improvement of its mechanical performance.

  7. An Experimental Study on Mitigating Alkali Silica Reaction by Using Fly Ash (FA in Combination with Silica Fume and Expanded Perlite Powder (EPP

    Directory of Open Access Journals (Sweden)

    Isneini Mohd


    Full Text Available ASR suppression by FA, SF, EPP, FA in combination with SF and EPP were evaluated by both mortar bar and concrete prism test. Mortar bars were made based on JIS A 1146, meanwhile concrete prism bars were casted in accordance with Rilem AAR-3. Both specimens were stored in 40°C 100% R.H. controlled room. Mortar and concrete mixtures used reactive aggregate in pessimum proportion. The results indicated that FA in combination with SF and EPP showed smaller expansion compared to FA. The best of concrete mixtures in reducing expansion is combination of FA with SF (FA15SF10.

  8. Alkali promotion of N-2 dissociation over Ru(0001)

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet


    Using self-consistent density functional calculations, we show that adsorbed Na and Cs lower the barrier for dissociation of N2 on Ru(0001). Since N2 dissociation is a crucial step in the ammonia synthesis reaction, we explain in this way the experimental observation that alkali metals promote...... the ammonia synthesis reaction over Ru catalysts. We also show that the origin of this effect is predominantly a direct electrostatic attraction between the adsorbed alkali atoms and the dissociating molecule....

  9. Reaction and surface characterization study of higher alcohol synthesis catalysts. 9: Pd- and alkali-promoted Zn/Cr-based spinels containing excess ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Minahan, D.M. [Union Carbide Corp., South Charleston, WV (United States); Epling, W.S.; Hoflund, G.B. [Univ. of Florida, Gainesville, FL (United States). Dept. of Chemical Engineering


    A Zn/Cr spinel support material was prepared which contains excess ZnO and then was promoted with 5.9 wt% Pd and varying amounts ranging from 0 to 7 wt % of either K or Cs. Each of these catalysts were tested at four different reactor operating conditions (T of 400 or 440 C and P of 1000 or 1500 psig) for higher alcohol synthesis (HAS) using a syngas feedstream (1:1 CO:H{sub 2}) after reductive pretreatment. High isobutanol production rates in conjunction with low methanol-to-isobutanol mole ratios ({le}1.0) and low hydrocarbon byproduct rates are desired. For the K-promoted catalysts the highest isobutanol production rates are obtained at the higher pressure and temperature settings of 1500 psig and 440 C, and methanol-to-isobutanol mole ratios below the ideal value of 1.0, which is required for downstream methyl tertiary-butyl ether (MTBE) synthesis, are obtained. The Cs-promoted catalysts generally yield higher isobutanol production rates than the K-promoted catalysts. The highest isobutanol production rate of 170 g/kg-h is obtained using the 3 wt% Cs-promoted catalyst at 1000 psig and 440 C. The lower pressure is economically advantageous with regard to process costs. Most importantly, this isobutanol production rate is quite high compared to others presented in the literature and demonstrates that Pd does enhance the synthesis of isobutanol. The catalytic activity remained stable over a 5-day test period for each catalyst. X-ray photoelectron spectroscopy (XPS) and ion scattering spectroscopy (ISS) were used to characterize these catalysts. The results obtained from these techniques indicate that pretreating the catalysts in 1 {times} 10{sup {minus}7} Torr of H{sub 2} at 300 C for 4 h causes an enrichment of the near-surface alkali-promotor concentration.

  10. (abstract) Fundamental Mechanisms of Electrode Kinetics and Alkali Metal Atom Transport at the Alkali Beta'-Alumina/Porous Electrode/Alkali Metal Vapor Three Phase Boundary (United States)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; O'Connor, D.; Kisor, A.; Kikkert, S. K.


    The mechanisms of electrode kinetics and mass transport of alkali metal oxidation and alkali metal cation reduction at the solid electrolyte/porous electrode boundary as well as alkali metal transport through porous metal electrodes has important applications in optimizing device performance in alkali metal thermal to electric converter (AMTEC) cells which are high temperature, high current density electrochemical cells. Basic studies of these processes also affords the opportunity to investigate a very basic electrochemical reaction over a wide range of conditions; and a variety of mass transport modes at high temperatures via electrochemical techniques. The temperature range of these investigations covers 700K to 1240K; the alkali metal vapor pressures range from about 10(sup -2) to 10(sup 2) Pa; and electrodes studied have included Mo, W, Mo/Na(sub 2)MoO(sub 4), W/Na(sub 2)WO(sub 4), WPt(sub x), and WRh(sub x) (1.0 alkali metal vapor and alkali metal vapor/solid electrolyte/vapor cells have been used to characterize the reaction and transport processes. We have previously reported evidence of ionic, free molecular flow, and surface transport of sodium in several types of AMTEC electrodes.

  11. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury


    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol-1) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol-1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol-1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol-1, indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.


    DEFF Research Database (Denmark)


    The present invention concerns the selective removal of nitrogen oxides (NOx) from gasses. In particular, the invention concerns a process, a catalyst and the use of a catalyst for the selective removal of nitrogen oxides in the presence of ammonia from gases containing a significant amount...... of alkali metal and/or alkali-earth compounds which process comprises using a catalyst combined of (i) a formed porous superacidic support, said superacidic support having an Hammett acidity stronger than Ho=-12, and (ii) a metal oxide catalytic component deposited on said superacidic support selected from...

  13. Structural evaluation of a prestressed concrete bridge under an alkali-silica reaction; Evaluacion estructural de un puente de hormigon pretensado afectado por una reaccion alcali-silice

    Energy Technology Data Exchange (ETDEWEB)

    Carpintero Garcia, I.; Bermudez Adriozola, B.


    The Central Laboratory of Structures and Materials (CEDEX) was commissioned by the National Department of Highways to evaluate the safety conditions of one bridge built on 1997, which is part of the net of the Spanish National Highways. Even at the first inspection many cracks were detected in the concrete deck, associated with expansion concrete processes. This examination revealed that concrete deterioration was not associated with any reinforcement corrosion process; in fact, there were no symptoms of this pathology all along the bridge. for that reason the internal chemical reactions were considered as the most probable cause for the expansion of concrete, as no symptoms of deterioration due to external attack were found. In order to check the origin of concrete expansion, some tests were carried out on concrete samples drilled on the decks. Results of these tests show that there had been internal reactions in concrete mass which explains its expansion and the appearance of those cracks observed. Further more, some other activities were also carried out on site to estimate the importance of the structural damages, as topographic levelling and dynamic testing of the decks. Also the mechanical properties of concrete probes were tested at laboratory. This article shows the main results obtained on the study carried on to determine the cause and significance of the structural damages of the bridge. (Author) 3 refs.

  14. Estudo das reações alcalis-sílica associadas ao uso da lama vermelha em argamassas colantes e de revestimento Study of alkali-silica reactions associated with the use of red mud in plastering mortars

    Directory of Open Access Journals (Sweden)

    D. V. Ribeiro


    Full Text Available A incorporação de resíduos industriais em matrizes cimentícias, com o objetivo de inertização, é uma alternativa de reutilização que tem sido bastante estudada nos últimos anos. No presente trabalho, estudou-se a lama vermelha, resíduo sólido gerado no processo de beneficiamento da bauxita e que, devido a seu elevado pH, é considerado "perigoso". Apesar do uso deste resíduo ter sido reportada em trabalhos anteriores, algumas patologias podem estar associadas à sua utilização, devido à elevada concentração de íons alcalinos (principalmente o sódio, favorecendo as reações álcalis-sílica (RAS e às dificuldades de moldagem (reologia devido à elevada finura deste resíduo. Apesar destes prováveis problemas provenientes do uso indiscriminado da lama vermelha como adição às argamassas e concretos, ainda são poucas as pesquisas que os contemplam, sendo este o foco do presente trabalho. Foram verificadas as propriedades reológicas das argamassas, utilizando um reômetro e a avaliação da RAS, de acordo com as normas ASTM C 1260-07 e NBR 11582. Os resultados obtidos foram bastante satisfatórios quanto ao comportamento das argamassas frente à RAS, apesar da elevada concentração de álcalis na lama vermelha, com grande influência reológica.The incorporation of industrial wastes in cementitious matrices, with the goal of inertization, is an alternative of reuse that has been extensively studied in recent years. In this paper, the red mud, the main waste generated in aluminum and alumina production by the Bayer process from bauxite ore and considered "hazardous" due to the high pH, was studied. Despite the use of this waste have been reported in previous studies, some pathologies may be associated with its use, due to high concentration of alkali ions (mainly sodium, favoring the alkali-silica reactions (ASR and the difficulties of molding (rheology because of high fineness of this waste. Despite these potential

  15. alfa-Deuterium kinetic isotope effects in reactions of methyllithium. Is better aggregation the cause of lower reactivity?

    DEFF Research Database (Denmark)

    Holm, Torkil


    The value of kH/kD for alfa deuterium kinetic isotope effects for the reaction of methyllithium and methylmagnesium iodid with a series of substrates are consistently ca. 10-15 % higher for the lithium reagent. This may indicate a pre-equilibrium...

  16. Application of supported alkali catalysts in Prins reaction%负载碱催化剂在Prins反应中的应用

    Institute of Scientific and Technical Information of China (English)

    王海永; 吕慧; 林晨; 朱振炜; 许康栋; 曹贵平


    Solid base catalysts MnO/Al2O3 (M=Na, K, Cs, Mg, Ca, Sr,n=1 or 2) prepared by impregnation method and C-Cs2O/Al2O3 by co-precipitation method were applied in Prins reaction. Their base amount and pKa in water were determined. The structure and physico-chemical properties of the carrier and prepared catalysts were characterized by CO2-TPD, X-ray diffraction, and nitrogen adsorption. The performance of catalysts was evaluated by condensation reaction of isobutene with paraformaldehyde to produce 3-methyl-3-buten-1-ol. The results showed that the performance of catalysts related directly with their basic property and structure. The C-Cs2O/Al2O3 catalyst had stronger basicity and showed superior catalytic performance, and the conversion of formaldehyde and selectivity to MBO reached up to 100.0% and 86.0% respectively. The mechanism of Prins reaction over solid base catalyst was also discussed. The base sites could active theα-H of isobutene, and so could promote the Prins reaction.%分别采用浸渍法和共沉淀法制备了负载金属氧化物的固体碱催化剂MnO/Al2O3(M=Na,K,Cs,Mg,Ca, Sr;n=1,2)和C-Cs2O/Al2O3,测定了催化剂的碱量和pKa值,分别采用CO2-TPD、X射线衍射、N2物理吸附表征了催化剂的物理化学性质。以异丁烯与多聚甲醛经Prins反应制备3-甲基-3-丁烯-1-醇(MBO)为体系考察催化剂活性。结果表明,催化剂的碱性和结构直接影响其催化活性,采用共沉淀法制备的Cs2O/Al2O3催化剂具有更强的碱性,表现出了优越的反应活性,甲醛的转化率和产物MBO的选择性分别为100.0%和86.0%。探讨了固体碱催化反应的机理,发现碱性位可以活化异丁烯的α-H,促进Prins反应。

  17. Inhibitory Effect of Waste Glass Powder on ASR Expansion Induced by Waste Glass Aggregate

    Directory of Open Access Journals (Sweden)

    Shuhua Liu


    Full Text Available Detailed research is carried out to ascertain the inhibitory effect of waste glass powder (WGP on alkali-silica reaction (ASR expansion induced by waste glass aggregate in this paper. The alkali reactivity of waste glass aggregate is examined by two methods in accordance with the China Test Code SL352-2006. The potential of WGP to control the ASR expansion is determined in terms of mean diameter, specific surface area, content of WGP and curing temperature. Two mathematical models are developed to estimate the inhibitory efficiency of WGP. These studies show that there is ASR risk with an ASR expansion rate over 0.2% when the sand contains more than 30% glass aggregate. However, WGP can effectively control the ASR expansion and inhibit the expansion rate induced by the glass aggregate to be under 0.1%. The two mathematical models have good simulation results, which can be used to evaluate the inhibitory effect of WGP on ASR risk.

  18. Pyrolysis characteristic of kenaf studied with separated tissues, alkali pulp, and alkali li

    Directory of Open Access Journals (Sweden)

    Yasuo Kojima


    Full Text Available To estimate the potential of kenaf as a new biomass source, analytical pyrolysis was performed using various kenaf tissues, i.e., alkali lignin and alkali pulp. The distribution of the pyrolysis products from the whole kenaf was similar to that obtained from hardwood, with syringol, 4-vinylsyringol, guaiacol, and 4-vinylguaiacol as the major products. The phenols content in the pyrolysate from the kenaf core was higher than that from the kenaf cuticle, reflecting the higher lignin content of the kenaf core. The ratios of the syringyl and guaiacyl compounds in the pyrolysates from the core and cuticle samples were 2.79 and 6.83, respectively. Levoglucosan was the major pyrolysis product obtained from the kenaf alkali pulp, although glycol aldehyde and acetol were also produced in high yields, as previously observed for other cellulosic materials. Moreover, the pathways for the formation of the major pyrolysis products from alkali lignin and alkali pulp were also described, and new pyrolysis pathways for carbohydrates have been proposed herein. The end groups of carbohydrates bearing hemiacetal groups were subjected to ring opening and then they underwent further reactions, including further thermal degradation or ring reclosing. Variation of the ring-closing position resulted in the production of different compounds, such as furans, furanones, and cyclopentenones.

  19. Enhance luminescence by introducing alkali metal ions (R+ = Li+, Na+ and K+) in SrAl2O4:Eu3+ phosphor by solid-state reaction method (United States)

    Prasad Sahu, Ishwar


    In the present article, the role of charge compensator ions (R+ = Li+, Na+ and K+) in europium-doped strontium aluminate (SrAl2O4:Eu3+) phosphors was synthesized by the high-temperature, solid-state reaction method. The crystal structures of sintered phosphors were in a monoclinic phase with space group P21. The trap parameters which are mainly activation energy (E), frequency factor (s) and order of the kinetics (b) were evaluated by using the peak shape method. The calculated trap depths are in the range from 0.76 to 0.84 eV. Photoluminescence measurements showed that the phosphor exhibited emission peak with good intensity at 595 nm, corresponding to 5D0-7F1 (514 nm) orange emission and weak 5D0-7F2 (614 nm) red emission. The excitation spectra monitored at 595 nm show a broad band from 220 to 320 nm ascribed to O-Eu charge-transfer state transition and the other peaks in the range of 350-500 nm originated from f-f transitions of Eu3+ ions. The strongest band at 394 nm can be assigned to 7F0-5L6 transition of Eu3+ ions due to the typical f-f transitions within Eu3+ of 4f6 configuration. The latter lies in near ultraviolet (350-500 nm) emission of UV LED. CIE color chromaticity diagram and thermoluminescence spectra confirm that the synthesized phosphors would emit an orange-red color. Incorporating R+ = Li+, Na+ and K+ as the compensator charge, the emission intensity of SrAl2O4:Eu3+ phosphor can be obviously enhanced and the emission intensity of SrAl2O4:Eu3+ doping Li+ is higher than that of Na+ or K+ ions.

  20. Alkali-activated cementitious materials: Mechanisms, microstructure and properties (United States)

    Jiang, Weimin

    The goal of this study was to examine the activation reaction, microstructure, properties, identify the mechanisms of activation, and achieve an enhanced understanding of activation processes occurring during the synthesis of alkali activated cementitious materials (AAC). The discussions classify the following categories. (1) alkali activated slag cement; (2) alkali activated portland-slag cement; (3) alkali activated fly ash-slag cement; (4) alkali activated pozzolana-lime cement; (5) alkali activated pozzolana cement. The activators involved are NaOH, KOH; Nasb2SOsb4;\\ Nasb2COsb3;\\ CaSOsb4, and soluble silicate of sodium and potassium. The effect of alkali activation on the microstructure of these materials were analyzed at the micro-nanometer scale by SEM, EDS, ESEM, and TEM. Also sp{29}Si and sp{27}Al MAS-NMR, IR, Raman, TGA, and DTA were performed to characterize the phase in these systems. Slag, fly ash, silica fume, as well as blended cements containing mixtures of these and other components were characterized. A set of ordinary portland cement paste samples served as a control. This study confirmed that AAC materials have great potential because they could generate very early high strength, greater durability and high performance. Among the benefits to be derived from this research is a better understanding of the factors that control concrete properties when using AAC materials, and by controlling the chemistry and processing to produce desired microstructures and properties, as well as their durability.

  1. The Effectiveness of High Quality Supplementary Cementitious Materials for Mitigating ASR Expansion in Concrete with High Alkali Content

    Directory of Open Access Journals (Sweden)

    I. Prasetia


    Full Text Available Alkali silica reaction (ASR is influenced by external factors such as the surrounding environment of high alkalinity. Countries with cold climate have a high probability to be exposed to high concentrations of NaCl solution by the deicing salt. This condition will lead to serious ASR problems in concrete, if the aggregates contain reactive silica. The main research work in this paper is to investigate the effect of 15% replacement ratio of high quality fine fly ash (FA15% and 42% replacement ratio of blast furnace slag (BFS42% on the ASR mitigation in concrete with different alkali amount inside the pore solution. The experiments were conducted according to the accelerated mortar bars experiment following the JIS A1146 mortar bar test method. In addition, post-analysis such as observation of ASR gel formation by the Uranyl Acetate Fluorescence Method and observation of thin sections using a Polarizing Microscope were also conducted. The mortar bar tests show a very good mitigation effect of supplementary cementitious materials (SCMs. The results show that only small ASR expansions, which can be categorized as “innocuous”, occurred for specimens with 1.2% Na2Oeq using FA15% and BFS42%. However, larger alkali amount inside the system will require more SCMs amount.

  2. Formation and Stability of High-Spin Alkali Clusters (United States)

    Schulz, C. P.; Claas, P.; Schumacher, D.; Stienkemeier, F.


    Helium nanodroplet isolation has been applied to agglomerate alkali clusters at temperatures of 380mK. The very weak binding to the surface of the droplets allows a selection of only weakly bound, high-spin states. Here we show that larger clusters of alkali atoms in high-spin states can be formed. The lack of strong bonds from pairing electrons makes these systems nonmetallic, vanderWaals like complexes of metal atoms. We find that sodium and potassium readily form such clusters containing up to 25atoms. In contrast, this process is suppressed for rubidium and cesium. Apparently, for these heavy alkalis, larger high-spin aggregates are not stable and depolarize spontaneously upon cluster formation.

  3. The calcium-alkali syndrome


    Arroyo, Mariangeli; Fenves, Andrew Z.; Emmett, Michael


    The milk-alkali syndrome was a common cause of hypercalcemia, metabolic alkalosis, and renal failure in the early 20th century. It was caused by the ingestion of large quantities of milk and absorbable alkali to treat peptic ulcer disease. The syndrome virtually vanished after introduction of histamine-2 blockers and proton pump inhibitors. More recently, a similar condition called the calcium-alkali syndrome has emerged as a common cause of hypercalcemia and alkalosis. It is usually caused b...

  4. Natural Alkali Shifts to the Methanol Business

    Institute of Scientific and Technical Information of China (English)


    @@ Inner Mongolia Yuanxing Natural Alkali Co., Ltd. (Natural Alkali SZ: 000683) established in 1997 is a large chemical enterprise with new energy as its leading business and natural gas chemicals and natural alkali chemicals as the supplement business.

  5. Fractal Aggregates in Tennis Ball Systems (United States)

    Sabin, J.; Bandin, M.; Prieto, G.; Sarmiento, F.


    We present a new practical exercise to explain the mechanisms of aggregation of some colloids which are otherwise not easy to understand. We have used tennis balls to simulate, in a visual way, the aggregation of colloids under reaction-limited colloid aggregation (RLCA) and diffusion-limited colloid aggregation (DLCA) regimes. We have used the…

  6. Alkali control of high-grade metamorphism and granitization

    Directory of Open Access Journals (Sweden)

    Oleg G. Safonov


    Full Text Available We review petrologic observations of reaction textures from high-grade rocks that suggest the passage of fluids with variable alkali activities. Development of these reaction textures is accompanied by regular compositional variations in plagioclase, pyroxenes, biotite, amphibole and garnet. The textures are interpreted in terms of exchange and net-transfer reactions controlled by the K and Na activities in the fluids. On the regional scale, these reactions operate in granitized, charnockitized, syenitized etc. shear zones within high-grade complexes. Thermodynamic calculations in simple chemical systems show that changes in mineral assemblages, including the transition from the hydrous to the anhydrous ones, may occur at constant pressure and temperature due only to variations in the H2O and the alkali activities. A simple procedure for estimating the activity of the two major alkali oxides, K2O and Na2O, is implemented in the TWQ software. Examples of calculations are presented for well-documented dehydration zones from South Africa, southern India, and Sri Lanka. The calculations have revealed two end-member regimes of alkalis during specific metamorphic processes: rock buffered, which is characteristic for the precursor rocks containing two feldspars, and fluid-buffered for the precursor rocks without K-feldspar. The observed reaction textures and the results of thermodynamic modeling are compared with the results of available experimental studies on the interaction of the alkali chloride and carbonate-bearing fluids with metamorphic rocks at mid-crustal conditions. The experiments show the complex effect of alkali activities in the fluid phase on the mineral assemblages. Both thermodynamic calculations and experiments closely reproduce paragenetic relations theoretically predicted by D.S. Korzhinskii in the 1940s.

  7. Alkali metal and alkali earth metal gadolinium halide scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Bourret-Courchesne, Edith; Derenzo, Stephen E.; Parms, Shameka; Porter-Chapman, Yetta D.; Wiggins, Latoria K.


    The present invention provides for a composition comprising an inorganic scintillator comprising a gadolinium halide, optionally cerium-doped, having the formula A.sub.nGdX.sub.m:Ce; wherein A is nothing, an alkali metal, such as Li or Na, or an alkali earth metal, such as Ba; X is F, Br, Cl, or I; n is an integer from 1 to 2; m is an integer from 4 to 7; and the molar percent of cerium is 0% to 100%. The gadolinium halides or alkali earth metal gadolinium halides are scintillators and produce a bright luminescence upon irradiation by a suitable radiation.

  8. Upgrading platform using alkali metals

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard


    A method for removing sulfur, nitrogen or metals from an oil feedstock. The method involves reacting the oil feedstock with an alkali metal and a radical capping substance. The alkali metal reacts with the metal, sulfur or nitrogen content to form one or more inorganic products and the radical capping substance reacts with the carbon and hydrogen content to form a hydrocarbon phase. The inorganic products may then be separated out from the hydrocarbon phase.

  9. Upgrading platform using alkali metals

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard


    A process for removing sulfur, nitrogen or metals from an oil feedstock (such as heavy oil, bitumen, shale oil, etc.) The method involves reacting the oil feedstock with an alkali metal and a radical capping substance. The alkali metal reacts with the metal, sulfur or nitrogen content to form one or more inorganic products and the radical capping substance reacts with the carbon and hydrogen content to form a hydrocarbon phase. The inorganic products may then be separated out from the hydrocarbon phase.

  10. Pathways of birnessite formation in alkali medium

    Institute of Scientific and Technical Information of China (English)

    FENG Xionghan; TAN Wenfeng; LIU Fan; HUANG Qiaoyun; LIU Xiangwen


    Birnessite is a common weathering and oxidation product of manganese-bearing rocks. An O2 oxidation procedure of Mn(OH)2 in the alkali medium has been used to synthesize birnessite. Fast and powder X-ray diffraction (XRD), transmission electron microscopy (TEM), electron diffraction (ED), energy dispersed X-ray analysis (EDAX), infrared spectroscopy (IR) techniques and chemical composition analysis, Eh-pH equilibrium diagram approaches were employed to investigate the reaction process and pathways of birnessite formation. Results showed that the process of the birnessite formation could be divided into four stages: (1) formation stage for hausmannite and feitknechtite, (2) stage of transformation of hausmannite and feitknechtite to buserite, (3) buserite crystal growing stage, and (4) stage of conversion of buserite into birnessite. Mn(OH)2 was mainly present as amorphous state only for a short initial time of oxidation reaction. In the oxidation process, buserite formed following two pathways by recrystallization after dissolution of the intermediates, and the transformations of the minerals depended on the Eh determined by the dissolved O2 concentration on their surfaces. The results are fundamental in further exploration on the mechanism of birnessite formation in the alkali medium. A great practical significance would also be expected with respect to the areas of material sciences.

  11. Alkali-metal-supported bismuth polyhedra-principles and theoretical studies. (United States)

    Monakhov, Kirill Yu; Linti, Gerald; Wolters, Lando P; Bickelhaupt, F Matthias


    We have quantum chemically investigated the structure, stability, and bonding mechanism in highly aggregated alkali-metal salts of bismuthanediide anions [RBi](2-) using relativistic density functional theory (DFT, at ZORA-BP86/TZ2P) in combination with a quantitative energy decomposition analysis (EDA). Our model systems are alkali-metal-supported bismuth polyhedra [(RBi)(n)M(2n-4)](4-) with unique interpenetrating shells of a bismuth polyhedron and an alkali-metal superpolyhedron. Furthermore, we have analyzed the trianionic inclusion complexes [M'@{(RBi)(n)M(2n-4)}](3-) involving an additional endohedral alkali-metal ion M'. The main objective is to assist the further development of synthetic approaches toward this class of compounds. Our analyses led to electron-counting rules relating, for example, the number of bonding orbitals (N(bond)) of the cage molecules [(RBi)(n)M(2n+Q)](Q) to the number of bismuth atoms (n(Bi)), alkali-metal atoms (n(M)), and net charge Q as N(bond) = n(Bi) + n(M) - Q (R = one-electron donor ligand; M = alkali metal; n = 4-12; Q = -4, -6, -8). Finally, on the basis of our findings, we predict the next members in the 5-fold symmetrical row of alkali-metallobismaspheres with a macroicosahedral arrangement.

  12. Effectiveness of lithium-based products in concrete made with Canadian aggregates susceptible to ASR

    Energy Technology Data Exchange (ETDEWEB)

    Tremblay, C.; Berube, M.A. [Laval Univ., Quebec City, PQ (Canada). Dept. of Geology and Geological Engineering; Fournier, B. [Natural Resources Canada, Ottawa, ON (Canada). CANMET Materials Technology Lab; Thomas, M.D.A. [New Brunswick Univ., Fredericton, NB (Canada). Dept. of Civil Engineering


    The durability and service-life of concrete structures is affected by the alkali-silica reaction (ASR) that occurs in some siliceous aggregates. During ASR, a swelling gel is produced that causes the expansion and premature deterioration of the concrete elements. Studies have indicated that lithium-based products can suppress the ASR expansion when used at an adequate dosage. The efficacy of LiNO{sub 3} has been recognized because it is not susceptible to pessimum effects, and does not increasing the pH of the pore solution compared to some LiOH and other lithium salts. The alkali content of concrete is a critical parameter for the ASR and also impacts significantly on the efficacy of the lithium-based products. This paper presented the results of a 3 year study in which the feasibility of combining lithium admixture and supplementary cementing materials (SCMs) was investigated. In the study, 87 concrete mixtures were subjected to concrete prism expansion tests in humid air at 38 degrees C for 2 years and up to 9 months at 60 degrees C. The mixtures incorporated 12 different Canadian reactive aggregates and one non-reactive aggregate along with different amounts of lithium-based admixtures. The pore solution of these mixtures was extracted under high pressure at different times for chemical analysis. The combination of lithium admixture and SCMs proved to be beneficial in reducing ASR. The required dosage of LiNO{sub 3} was not related to the degree of reactivity of the aggregate to counteract expansion. 22 refs., 11 tabs., 7 figs.

  13. Adding nickel formate in alkali lignin to increase contents of alkylphenols and aromatics during fast pyrolysis. (United States)

    Geng, Jing; Wang, Wen-Liang; Yu, Yu-Xiang; Chang, Jian-Min; Cai, Li-Ping; Shi, Sheldon Q


    The composition of pyrolysis vapors obtained from alkali lignin pyrolysis with the additive of nickel formate was examined using the pyrolysis gas chromatography-mass spectrometry (Py-GC/MS). Characterization of bio-chars was performed using X-ray diffraction (XRD). Results showed that the nickel formate significantly increased liquid yield, simplified the types of alkali lignin pyrolysis products and increased individual component contents. The additive of nickel formate increased contents of alkylphenols and aromatics from alkali lignin pyrolysis. With an increase in temperature, a greater amount of the relative contents can be achieved. The nickel formate was thermally decomposed to form hydrogen, resulting in hydrodeoxygenation of alkali lignin during pyrolysis. It was also found that Ni is in favor of producing alkylphenols. The analysis based on the experimental result provided evidences used to propose reaction mechanism for pyrolysis of nickel formate-assisted alkali lignin.

  14. Microstructure and Engineering Properties of Alkali Activated Fly Ash -as an environment friendly alternative to Portland cement

    NARCIS (Netherlands)

    Ma, Y.


    Alkali activated fly ash (AAFA), also named “geopolymer”, has emerged as a novel engineering material in the construction industry. This material is normally formed by the reaction between fly ash and aqueous hydroxide or alkali silicate solution. With proper mix design, AAFA can present comparable

  15. Process for recovering alkali metals and sulfur from alkali metal sulfides and polysulfides

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard; Alvare, Javier


    Alkali metals and sulfur may be recovered from alkali monosulfide and polysulfides in an electrolytic process that utilizes an electrolytic cell having an alkali ion conductive membrane. An anolyte solution includes an alkali monosulfide, an alkali polysulfide, or a mixture thereof and a solvent that dissolves elemental sulfur. A catholyte includes molten alkali metal. Applying an electric current oxidizes sulfide and polysulfide in the anolyte compartment, causes alkali metal ions to pass through the alkali ion conductive membrane to the catholyte compartment, and reduces the alkali metal ions in the catholyte compartment. Liquid sulfur separates from the anolyte solution and may be recovered. The electrolytic cell is operated at a temperature where the formed alkali metal and sulfur are molten.

  16. A negative ion source for alkali ions

    NARCIS (Netherlands)

    Vermeer, A.; Zwol, N.A. van


    An ion source is described which delivers negative alkali ions. With this source, which consists of a duoplasmatron and a charge exchange canal with alkali vapour, negative Li, Na and K ions are produced. The oven in which alkali metals are evaporated can reach temperatures up to 575°C.

  17. Alkali binding in hydrated Portland cement paste

    NARCIS (Netherlands)

    Chen, W.; Brouwers, H.J.H.


    The alkali-binding capacity of C–S–H in hydrated Portland cement pastes is addressed in this study. The amount of bound alkalis in C–S–H is computed based on the alkali partition theories firstly proposed by Taylor (1987) and later further developed by Brouwers and Van Eijk (2003). Experimental data

  18. Magnesia Modification of Alkali-Activated Slag Fly Ash Cement

    Institute of Scientific and Technical Information of China (English)

    SHEN Weiguo; WANG Yiheng; ZHANG Tao; ZHOU Mingkai; LI Jiasheng; CUI Xiaoyu


    A new type of magnesia modification alkali-activated cement was prepared, the strength, setting time, shrinkage ratio and cracking behavior, as well as the composition and structure of the hydration product were investigated. The results indicate that the setting time of this cement is similar to that of the ordinary commercial cements; its strength reaches the standard of 42.5 degree cement, its cracking resistance has been remarkably improved because of the micro-aggregate effect of fly ash and shrinkage compensating of magnesia.

  19. Impact of alkali salts on the kinetics and microstructural development of cementitious systems


    Mota Gassó, Berta


    Supplementary cementitious materials (SCM) lower the environmental impact of cement and concrete but react more slowly than Portland cement, which therefore limits the levels of substitution possible as reasonable early strengths are necessary. One of the main factors affecting the reaction of the SCMs is the alkalinity of the pore solution. However, alkalis do not only affect SCMs, but also the clinker phases. It is generally accepted that alkalis accelerate the hydration of Portland cement ...

  20. 高铝粉煤灰中Al2O3与SiO2在碱溶液中的反应行为%Reaction behaviour of Al2O3 and SiO2 in high alumina coal fly ash during alkali hydrothermal process

    Institute of Scientific and Technical Information of China (English)

    蒋周青; 杨静; 马鸿文; 王乐; 马玺


    The reaction behaviours of Al2O3 and SiO2 in high alumina coal fly ash under various alkali hydrothermal conditions were studied. The means of XRD, XRF, FTIR and SEM were used to measure the mineral phase and morphology of the solid samples obtained by different alkali hydrothermal treatments as well as the leaching ratio of SiO2 to Al2O3 in alkali solution. The results showed that with the increase of the hydrothermal treating temperature from 75 to 160 °C, phillipsite-Na, zeolite A, zeolite P, and hydroxysodalite were produced sequentially while the mullite and corundum phase still remained. Zeolite P was massively formed at low-alkali concentration and the hydroxysodalite was predominantly obtained at high-alkali concentration. By the dissolution of aluminosilicate glass and the formation of zeolites together, the leaching efficiency of SiO2 can reach 42.13% with the mass ratio of Al2O3/SiO2 up to 2.19:1.%研究高铝粉煤灰中Al2O3与SiO2组分在NaOH碱液中不同水热条件下的反应行为。采用XRD、XRF、SEM、FTIR等测试方法对高铝粉煤灰碱溶液处理前后的物相组成和形貌变化进行表征,得到粉煤灰Al2O3和SiO2组分的溶出率变化规律。结果表明,高铝粉煤灰经75°C到160°C不同温度碱溶液处理后,颗粒表面硅铝玻璃相消失,依次生成钠型沸石、A型沸石、P型沸石及羟基方钠石,所含刚玉及莫来石相未被完全溶解。在低碱浓度溶液中P型沸石为主要生成相,高碱浓度下羟基方钠石为稳定的相。在铝硅玻璃体溶解和沸石相生成两种反应的共同作用下,粉煤灰中SiO2的溶出率可达42.13%,滤渣中Al2O3/SiO2质量比提高到2.19:1.

  1. Molecular aggregation of humic substances (United States)

    Wershaw, R. L.


    Humic substances (HS) form molecular aggregates in solution and on mineral surfaces. Elucidation of the mechanism of formation of these aggregates is important for an understanding of the interactions of HS in soils arid natural waters. The HS are formed mainly by enzymatic depolymerization and oxidation of plant biopolymers. These reactions transform the aromatic and lipid plant components into amphiphilic molecules, that is, molecules that consist of separate hydrophobic (nonpolar) and hydrophilic (polar) parts. The nonpolar parts of the molecules are composed of relatively unaltered segments of plant polymers and the polar parts of carboxylic acid groups. These amphiphiles form membrane-like aggregates on mineral surfaces and micelle-like aggregates in solution. The exterior surfaces of these aggregates are hydrophilic, and the interiors constitute separate hydrophobic liquid-like phases.

  2. Orthogonal flexible Rydberg aggregates (United States)

    Leonhardt, K.; Wüster, S.; Rost, J. M.


    We study the link between atomic motion and exciton transport in flexible Rydberg aggregates, assemblies of highly excited light alkali-metal atoms, for which motion due to dipole-dipole interaction becomes relevant. In two one-dimensional atom chains crossing at a right angle adiabatic exciton transport is affected by a conical intersection of excitonic energy surfaces, which induces controllable nonadiabatic effects. A joint exciton-motion pulse that is initially governed by a single energy surface is coherently split into two modes after crossing the intersection. The modes induce strongly different atomic motion, leading to clear signatures of nonadiabatic effects in atomic density profiles. We have shown how this scenario can be exploited as an exciton switch, controlling direction and coherence properties of the joint pulse on the second of the chains [K. Leonhardt et al., Phys. Rev. Lett. 113, 223001 (2014), 10.1103/PhysRevLett.113.223001]. In this article we discuss the underlying complex dynamics in detail, characterize the switch, and derive our isotropic interaction model from a realistic anisotropic one with the addition of a magnetic bias field.

  3. Orthogonal flexible Rydberg aggregates

    CERN Document Server

    Leonhardt, K; Rost, J M


    We study the link between atomic motion and exciton transport in flexible Rydberg aggregates, assemblies of highly excited light alkali atoms, for which motion due to dipole-dipole interaction becomes relevant. In two one-dimensional atom chains crossing at a right angle adiabatic exciton transport is affected by a conical intersection of excitonic energy surfaces, which induces controllable non-adiabatic effects. A joint exciton/motion pulse that is initially governed by a single energy surface is coherently split into two modes after crossing the intersection. The modes induce strongly different atomic motion, leading to clear signatures of non-adiabatic effects in atomic density profiles. We have shown how this scenario can be exploited as an exciton switch, controlling direction and coherence properties of the joint pulse on the second of the chains [K.~Leonhardt {\\it et al.}, Phys.~Rev.~Lett. {\\bf 113} 223001 (2014)]. In this article we discuss the underlying complex dynamics in detail, characterise the ...

  4. Construction aggregates (United States)

    Nelson, T.I.; Bolen, W.P.


    Construction aggregates, primarily stone, sand and gravel, are recovered from widespread naturally occurring mineral deposits and processed for use primarily in the construction industry. They are mined, crushed, sorted by size and sold loose or combined with portland cement or asphaltic cement to make concrete products to build roads, houses, buildings, and other structures. Much smaller quantities are used in agriculture, cement manufacture, chemical and metallurgical processes, glass production and many other products.

  5. Effect of Na3PO4 on the Hydration Process of Alkali-Activated Blast Furnace Slag

    Directory of Open Access Journals (Sweden)

    Lukáš Kalina


    Full Text Available In recent years, the utilization of different non-traditional cements and composites has been increasing. Alkali-activated cementitious materials, especially those based on the alkali activation of blast furnace slag, have considerable potential for utilization in the building industry. However, alkali-slag cements exhibit very rapid setting times, which are too short in some circumstances, and these materials cannot be used for some applications. Therefore, it is necessary to find a suitable retarding admixture. It was shown that the sodium phosphate additive has a strong effect on the heat evolution during alkali activation and effectively retards the hydration reaction of alkali-activated blast furnace slag. The aim of the work is the suggestion of a reaction mechanism of retardation mainly based on Raman and X‑ray photoelectron spectroscopy.

  6. One-pot three-component Biginelli-type reaction to synthesize 3,4-dihydropyrimidine-2-(1H)-ones catalyzed by Co phthalocyanines: Synthesis, characterization, aggregation behavior and antibacterial activity (United States)

    Medyouni, Rawdha; Elgabsi, Wissal; Naouali, Olfa; Romerosa, Antonio; Sulaiman Al-Ayed, Abdullah; Baklouti, Lasaad; Hamdi, Naceur


    The synthesis of a novel phthalonitrile derivative with pyridine-2-thiol and 2,4,6-trimethylphenylamine substituents functionalized groups and its peripherally tetrasubstituted cobalt phthalocyanine and cationic phthalocyanines complexes were reported. The aggregation investigations carried out in different concentrations indicate that Co Phthalocyanines compounds 3,4 do not have any aggregation behavior for the concentration range of 6 × 10- 4-14 × 10- 6 M in DMSO. The ion binding properties of Co Phthalocyanines compounds 3,4 show the formation of stable complex with Co2 +. In addition 3,4-Dihydropyrimidin-2(1H)-one derivatives were synthesized by modified Biginelli cyclocondensation reaction catalyzed by MPc as Lewis base. The structures of the synthesized compounds have been successfully characterized by the spectroscopic methods (IR, 1H NMR, 13CNMR, UV-Vis, mass spectrometry, elemental analysis and NMR 2D). The influence of substrate/catalyst ratio, solvent was also investigated to find optimal reaction on this synthesis for getting the highest conversion. Different parameters were examined for finding optimal conditions of catalysis. In addition; the compounds 3-11 were investigated for antimicrobial activity. Most of them exhibited important antimicrobial activity.

  7. Aggregation kinetics of a simulated telechelic polymer (United States)

    Wilson, Mark; Rabinovitch, Avinoam; Baljon, Arlette R. C.


    We investigate the aggregation kinetics of a simulated telechelic polymer gel. In the hybrid molecular dynamics (MD)/Monte Carlo (MC) algorithm, aggregates of associating end groups form and break according to MC rules, while the position of the polymers in space is dictated by MD. As a result, the aggregate sizes change over time. In order to describe this aggregation process, we employ master equations. They define changes in the number of aggregates of a certain size in terms of reaction rates. These reaction rates indicate the likelihood that two aggregates combine to form a large one, or that a large aggregate splits into two smaller parts. The reaction rates are obtained from the simulations for a range of temperatures. Our results indicate that the rates are not only temperature dependent, but also a function of the sizes of the aggregates involved in the reaction. Using the measured rates, solutions to the master equations are shown to be stable and in agreement with the aggregate size distribution, as obtained directly from simulation data. Furthermore, we show how temperature-induced variations in these rates give rise to the observed changes in the aggregate distribution that characterizes the sol-gel transition.

  8. Reaction pathway led by silicate structure transformation on decomposition of CaSiO3 in alkali fusion process using NaOH%NaOH碱熔分解CaSiO 3过程中导致硅酸盐结构转变的反应路径

    Institute of Scientific and Technical Information of China (English)

    赵昌明; 王国承; 李胜利; 艾新港; 王子睿; 翟玉春


    以NaSiO 3·9H 2 O和CaCl 2为原料,通过化学沉积法合成链状硅酸盐(CaSiO 3)。采用拉曼光谱、X射线衍射和红外光谱研究其在NaOH碱熔过程中的分解机制。结果表明,CaSiO 3在碱熔过程中链状结构的硅氧四面体结构逐渐断裂、转变生成岛状结构的硅氧四面体。CaSiO3分解过程中同时生成3种中间体:Ca2SiO4, Na2CaSiO4和Na2SiO3,最终产物是Ca(OH)2和 Na4SiO4。因此,CaSiO3在NaOH碱熔融反应过程中存在两条反应途径,分别以离子交换和硅酸盐骨架结构改变为主要形式,碱熔过程中硅酸盐结构的变化贯穿于整个反应过程。%The mechanism of decomposition of calcium inosilicate (CaSiO3) synthesized through chemical deposition method using analytical reagent NaSiO3∙9H2O and CaCl2 during the alkali fusion process using NaOH was investigated by Raman spectroscopy in situ, X-ray diffraction and Fourier transform infrared spectrometer (FTIR). The results show that the tetrahedral silica chains within CaSiO3 are gradually disrupted and transformed into nesosilicate with the isolated SiO4 tetrahedra at the beginning of the alkali fusion process. The three intermediates including Ca2SiO4, Na2CaSiO4 and Na2SiO3 appear simultaneously in the decomposition of CaSiO3, while the final products are Ca(OH)2 and Na4SiO4. It can be concluded that there exist two reaction pathways in the alkali fusion process of CaSiO3: one is ion exchange, the other is in the main form of the framework structure change of silicate. The reaction pathway is led by silicate structure transformation in the alkali fusion process.

  9. Positron-alkali atom scattering (United States)

    Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.; Ward, S. J.


    Positron-alkali atom scattering was recently investigated both theoretically and experimentally in the energy range from a few eV up to 100 eV. On the theoretical side calculations of the integrated elastic and excitation cross sections as well as total cross sections for Li, Na and K were based upon either the close-coupling method or the modified Glauber approximation. These theoretical results are in good agreement with experimental measurements of the total cross section for both Na and K. Resonance structures were also found in the L = 0, 1 and 2 partial waves for positron scattering from the alkalis. The structure of these resonances appears to be quite complex and, as expected, they occur in conjunction with the atomic excitation thresholds. Currently both theoretical and experimental work is in progress on positron-Rb scattering in the same energy range.

  10. Performance characterization of rigid polyurethane foam with refined alkali lignin and modified alkali lignin

    Institute of Scientific and Technical Information of China (English)

    LIU Zhi-ming; YU Fei; FANG Gui-zhen; YANG Hui-jun


    The two kinds of rigid polyurethane (PU) foams were prepared with respectively adding the refined alkali lignin and alkali lignin modified by 3-chloro-1,2-epoxypropane to be instead of 15% of the polyether glycol in weight. The indexes of mechanical performance, apparent density, thermal stability and aging resistance were separately tested for the prepared PU foams. The results show that the mechanical property, thermal insulation and thermal stability for PU foam with modified alkali lignin are excellent among two kinds of PU foams and control samples. The additions of the refined alkali lignin and modified alkali lignin to PU foam have little effect on the natural aging or heat aging resistance except for decreasing hot alkali resistance apparently. Additionally, the thermal conductivity of modified alkali lignin PU foam is lowest among two kinds of PU foams and control samples. The alkali lignin PU foam modified by 3-chloro-1,2-epoxypropane could be applied in the heat preservation field.

  11. Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw. (United States)

    Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E G


    A series of heterometallic aluminium-alkali metal species [AlMMe2{2,6-(MeO)2C6H3O}2]n have been isolated for lithium, sodium and potassium. These compounds can be generated by the reaction of [AlMe2{2,6-(MeO)2C6H3O}]2 with the metallated phenol [M{2,6-(MeO)2C6H3O}]n or through the reaction of the mixture of AlMe3 and the appropriate alkali metal alkyl base with two equivalents of 2,6-dimethoxyphenol. In the heterometallic species obtained, the {AlMe2{2,6-(MeO)2C6H3O}2}(-) moiety is observed and could be described as a claw which fixes the alkali ion by the phenoxide oxygen atoms while the methoxy groups help to stabilize their coordination sphere. All compounds have been characterized by NMR spectroscopy and X-ray diffraction methods. Catalytic studies reveal that these compounds are active in ring-opening polymerization of L-lactide.

  12. Facile Precursor for Synthesis of Silver Nanoparticles Using Alkali Treated Maize Starch (United States)

    El-Rafie, M. H.; Ahmed, Hanan B.; Zahran, M. K.


    Silver nanoparticles were prepared by using alkali treated maize starch which plays a dual role as reducer for AgNO3 and stabilizer for the produced AgNPs. The redox reaction which takes a place between AgNO3 and alkali treated starch was followed up and controlled in order to obtain spherical shaped silver nanoparticles with mean size 4–6 nm. The redox potentials confirmed the principle role of alkali treatment in increasing the reducibility of starch macromolecules. The measurements of reducing sugars at the end of reaction using dinitrosalicylic acid reagent (DNS) were carried out in order to control the chemical reduction reaction. The UV/Vis spectra show that an absorption peak, occurring due to surface plasmon resonance (SPR), exists at 410 nm, which is characteristic to yellow color of silver nanoparticles solution. The samples have been characterized by transmission electron microscopy (TEM), which reveal the nanonature of the particles. PMID:27433508

  13. Application of Image Analysis to Identify Quartz Grains in Heavy Aggregates Susceptible to ASR in Radiation Shielding Concrete

    Directory of Open Access Journals (Sweden)

    Daria Jóźwiak-Niedźwiedzka


    Full Text Available Alkali-silica reaction (ASR is considered as a potential aging-related degradation phenomenon that might impair the durability of concrete in nuclear containments. The objective of this paper is the application of digital analysis of microscopic images to identify the content and size of quartz grains in heavy mineral aggregates. The range of investigation covered magnetite and hematite aggregates, known as good absorbers of gamma radiation. Image acquisition was performed using thin sections observed in transmitted cross-polarized light with λ plate. Image processing, consisting of identification of ferrum oxide and epoxy resin, and the subsequent application of a set of filtering operations resulted in an adequate image reduction allowing the grain size analysis. Quartz grains were classified according to their mean diameter so as to identify the reactive range. Accelerated mortar bar tests were performed to evaluate the ASR potential of the aggregates. The SiO2 content in the heavyweight aggregates determined using the image analysis of thin sections was similar to XRF test result. The content of reactive quartz hematite was 2.7%, suggesting that it would be prone to ASR. The expansion test, according to ASTM C1260, confirmed the prediction obtained using the digital image analysis.


    Directory of Open Access Journals (Sweden)

    Korolev Evgeniy Valer’evich


    Full Text Available Portland cement-based concrete is widely used in civil engineering. Therefore, it is very important to determine the preconditions of corrosion of the cement concrete. The service life of concrete structures can be substantially reduced by the alkali-silica reaction. It is well known that this reaction causes formation of the sodium silicate hydrogel. Thus, by identifying this gel, a researcher can make an assumption about the reasons for the corrosion. Obviously, macroscopic quantities of sodium salts can be discerned using analytical chemistry methods. Unfortunately, determinant values of such salts in the concrete structure are usually very small. Thus, there is a need for special research methods.Raman spectroscopy is an advanced method based on the analysis of instantaneous two-photon non-elastic light scattering. This method is applicable even in case of small quantities of chemicals under research. The first successful study of silicates using Raman spectroscopy methods was performed in the 20ies of the 20th century. In this work the authors have proven that sodium hydrogels can be easily identified in the concrete using the Raman spectroscopy. In the course of the analysis of the interphase boundary between the cement stone and the aggregates, the authors observed, at least, one spectral peak which did not belong to cement or to the disperse phases of the concrete. At the same time, this peak can be classified as a peak of the sodium silicate. Thus, sodium silicate gel is generated during the service life of the structure under research, and this research has revealed the presence of the alkali-silica reaction.Щелоче-силикатная реакция может приводить к существенному сокращению срока эксплуатации конструкций из цементных бетонов. Протекание щелоче-силикатной реакции сопровождается об


    Directory of Open Access Journals (Sweden)

    F. Puertas


    Full Text Available The use of clay-based waste as an aggregate for concrete production is an amply studied procedure. Nonetheless, research on the use of this recycled aggregate to prepare alkaline cement mortars and concretes has yet to be forthcoming. The present study aimed to determine: the behaviour of this waste as a pozzolan in OPC systems, the mechanical strength in OPC, alkali-activated slag (AAS and fly ash (AAFA mortars and the effect of partial replacement of the slag and ash themselves with ground fractions of the waste. The pozzolanic behaviour of clay-based waste was confirmed. Replacing up to 20 % of siliceous aggregate with waste aggregate in OPC mortars induced a decline in 7 day strength (around 23 wt. %. The behaviour of waste aggregate in AAMs mortars, in turn, was observed to depend on the nature of the aluminosilicate and the replacement ratio used. When 20 % of siliceous aggregate was replaced by waste aggregate in AAS mortars, the 7 day strength values remained the same (40 MPa. In AAFA mortars, waste was found to effectively replace both the fly ash and the aggregate. The highest strength for AAFA mortars was observed when they were prepared with both a 50 % replacement ratio for the ash and a 20 % ratio for the aggregate.



    Puertas, F.; Santos, R.; Alonso M. M.; Del Rio M.


    The use of clay-based waste as an aggregate for concrete production is an amply studied procedure. Nonetheless, research on the use of this recycled aggregate to prepare alkaline cement mortars and concretes has yet to be forthcoming. The present study aimed to determine: the behaviour of this waste as a pozzolan in OPC systems, the mechanical strength in OPC, alkali-activated slag (AAS) and fly ash (AAFA) mortars and the effect of partial replacement of the slag and ash themselves with groun...

  17. A surface enhanced Raman scattering quantitative analytical platform for detection of trace Cu coupled the catalytic reaction and gold nanoparticle aggregation with label-free Victoria blue B molecular probe. (United States)

    Li, Chongning; Ouyang, Huixiang; Tang, Xueping; Wen, Guiqing; Liang, Aihui; Jiang, Zhiliang


    With development of economy and society, there is an urgent need to develop convenient and sensitive methods for detection of Cu(2+) pollution in water. In this article, a simple and sensitive SERS sensor was proposed to quantitative analysis of trace Cu(2+) in water. The SERS sensor platform was prepared a common gold nanoparticle (AuNP)-SiO2 sol substrate platform by adsorbing HSA, coupling with the catalytic reaction of Cu(2+)-ascorbic acid (H2A)-dissolved oxygen, and using label-free Victoria blue B (VBB) as SERS molecular probes. The SERS sensor platform response to the AuNP aggregations by hydroxyl radicals (•OH) oxidizing from the Cu(2+) catalytic reaction, which caused the SERS signal enhancement. Therefore, by monitoring the increase of SERS signal, Cu(2+) in water can be determined accurately. The results show that the SERS sensor platforms owns a linear response with a range from 0.025 to 25μmol/L Cu(2+), and with a detection limit of 0.008μmol/L. In addition, the SERS method demonstrated good specificity for Cu(2+), which can determined accurately trace Cu(2+) in water samples, and good recovery and accuracy are obtained for the water samples. With its high selectivity and good accuracy, the sensitive SERS quantitative analysis method is expected to be a promising candidate for determining copper ions in environmental monitoring and food safety.

  18. Spinel Metal Oxide-Alkali Carbonate-Based, Low-Temperature Thermochemical Cycles for Water Splitting and CO_2 Reduction


    Xu, Bingjun; Bhawe, Yashodhan; Davis, Mark E.


    A manganese oxide-based, thermochemical cycle for water splitting below 1000 °C has recently been reported. The cycle involves the shuttling of Na+ into and out of manganese oxides via the consumption and formation of sodium carbonate, respectively. Here, we explore the combinations of three spinel metal oxides and three alkali carbonates in thermochemical cycles for water splitting and CO_2 reduction. Hydrogen evolution and CO_2 reduction reactions of metal oxides with a given alkali carbona...

  19. Nanosized alkali-metal-doped ethoxotitanate clusters. (United States)

    Chen, Yang; Trzop, Elzbieta; Makal, Anna; Sokolow, Jesse D; Coppens, Philip


    The synthesis and crystallographic characterization of alkali-metal-doped ethoxotitanate clusters with 28 and 29 Ti atoms as well as a new dopant-free Ti28 cluster are presented. The light-metal-doped polyoxotitanate clusters in which the alkali-metal atom is the critical structure-determining component are the largest synthesized so far. Calculations show that doping with light alkali atoms narrows the band gap compared with the nondoped crystals but does not introduce additional energy levels within the band gap.

  20. High effective silica fume alkali activator

    Indian Academy of Sciences (India)

    Vladimír Živica


    Growing demands on the engineering properties of cement based materials and the urgency to decrease unsuitable ecologic impact of Portland cement manufacturing represent significant motivation for the development of new cement corresponding to these aspects. One category represents prospective alkali activated cements. A significant factor influencing their properties is alkali activator used. In this paper we present a new high effective alkali activator prepared from silica fume and its effectiveness. According to the results obtained this activator seems to be more effective than currently used activators like natrium hydroxide, natrium carbonate, and water glass.

  1. Tetranuclear zinc(II-oxy (benzothiazole-2-thiolate aggregate and copper(I phenylthiolate aggregate

    Directory of Open Access Journals (Sweden)

    Abir Goswami


    Full Text Available A tetranuclear zinc-oxy (benzothiazole-2-thiolate aggregate whose structure has a C3-axis passing through ZnO unit relating three other zinc ions and a tetranuclear copper(I phenylthiolate aggregate having each thiphenolate ligand bridging three copper ions are reported. These aggregates were prepared by hydrothermal reactions of 2,2′-dithiobis-(benzothiazole with zinc nitrate or copper(I iodide, respectively. The reaction of zinc nitrate passed through in situ abstraction of a oxy ligand from moisture to form a Zn4O core holding six 2-benzothiazolethiolate ligands, and during the formation of the aggregate, cleavage of S–S bond of 2,2′-dithiobis-(benzothiazole took place. Whereas, an aggregate formed by self-assembling of copper(I phenylthiolate was formed after extensive degradation of 2,2′-dithiobis-(benzothiazole during solvothermal reaction.

  2. Synergistic capture mechanisms for alkali and sulfur species from combustion. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, T.W.; Shadman, F.; Wendt, J.O.L.; Mwabe, P.O.


    Experimental work was carried out on a 17 kW, 600 cm long, gas laboratory combustor, to investigate the post flame reactive capture of alkali species by kaolinite. Emphasis was on alkali/sorbent interactions occurring in flue gas at temperatures above the alkali dewpoint and on the formation of water insoluble reaction products. Time-temperature studies were carried out by injecting kaolinite at different axial points along the combustor. The effect of chlorine and sulfur on alkali capture was investigated by doping the flame with SO{sub 2} and Cl{sub 2} gases to simulate coal flame environments. Particle time and temperature history was kept as close as possible to that which would ordinarily be found in a practical boiler. Experiments designed to extract apparent initial reaction rates were carried using a narrow range, 1-2 {mu}m modal size sorbent, while, a coarse, multi size sorbent was used to investigate the governing transport mechanisms. The capture reaction has been proposed to be between alkali hydroxide and activated kaolinite, and remains so in the presence of sulfur and chlorine. The presence of sulfur reduces sodium capture by under 10% at 1300{degree}C. Larger reductions at lower temperatures are attributed to the elevated dewpoint of sodium ({approximately}850{degree}C) with subsequent reduction in sorbent residence time in the alkali gas phase domain. Chlorine reduces sodium capture by 30% across the temperature range covered by the present experiments. This result has been linked to thermodynamic equilibria between sodium hydroxide, sodium chloride and water.

  3. Relaxation of quadrupole orientation in an optically pumped alkali vapour

    Energy Technology Data Exchange (ETDEWEB)

    Bernabeu, E.; Tornos, J.


    The relaxation of quadrupole orientation (alignment) in an optically pumped alkali vapour is theoretically studied by taking into account the relaxation processes by alkali-buffer gas, alkali-alkali with spin exchange and alkali-cell wall (diffusion process) collisions. The relaxation transients of the quadrupole orientation are obtained by introducing a first-order weak-pumping approximation (intermediate pumping) less restrictive than the usually considered (zeroth order) one.

  4. Milk Alkali and Hydrochlorothiazide: A Case Report

    Directory of Open Access Journals (Sweden)

    Babar Parvez


    Full Text Available Hypercalcemia is a relatively common clinical problem in both outpatient and inpatient settings. Primary pathophysiology is the entry of calcium that exceeds its excretion into urine or deposition in bone into circulation. Among a wide array of causes of hypercalcemia, hyperparathyroidism and malignancy are the most common, accounting for greater than 90 percent of cases. Concordantly, there has been a resurgence of milk-alkali syndrome associated with the ingestion of large amounts of calcium and absorbable alkali, making it the third leading cause of hypercalcemia (Beall and Scofield, 1995 and Picolos et al., 2005. This paper centers on a case of over-the-counter calcium and alkali ingestion for acid reflux leading to milk alkali with concordant use of thiazide diuretic for hypertension.

  5. Economic assessment of biodiesel production: Comparison of alkali and biocatalyst processes

    Energy Technology Data Exchange (ETDEWEB)

    Jegannathan, Kenthorai Raman [Department of Biotechnology, School of Biotechnology and Health sciences, Karunya University, Coimbatore, 641114 (India); Eng-Seng, Chan; Ravindra, Pogaku [Centre of Materials and Minerals, School of Engineering and Information Technology, University Malaysia Sabah, 88999 Kotakinabalu, Sabah (Malaysia)


    This study deals with the economic assessment of biodiesel production using three catalytic processes (1) alkali (2) soluble enzyme and (3) immobilized enzyme. All the processes were considered to be operated at batch mode with a production capacity of 10{sup 3} tonne. Biodiesel production cost using alkali catalyst process was found to be lowest ($ 1166.67/tonne) compared to soluble lipase catalyst ($ 7821.37/tonne) and immobilized lipase catalyst ($ 2414.63/tonne) process. The higher production cost was due to the higher cost of the enzyme and the higher reaction time of enzymatic process. However, reuse of immobilized catalyst decreased the production cost drastically unlike soluble enzyme catalyst. (author)

  6. An exploratory study of alkali sulfate aerosol formation during biomass combustion

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti; Frandsen, Flemming; Livbjerg, Hans;


    It is still in discussion to what extent alkali sulfate aerosols in biomass combustion are formed in the gas phase by a homogeneous mechanism or involve heterogeneous or catalyzed reactions. The present study investigates sulfate aerosol formation based on calculations with a detailed gas phase...... mechanism. The modeling predictions are compared to data from laboratory experiments and entrained flow reactor experiments available in the literature. The analysis support that alkali sulfate aerosols are formed from homogeneous nucleation following a series of steps occurring in the gas phase. The rate...

  7. Oxidation of the Boltysh deposit shale with atmosperic oxygen in a water-alkali medium

    Energy Technology Data Exchange (ETDEWEB)

    Proskuryakov, V.A.; Soloveichik, Z.V.; Yakovlev, V.I.


    Conditions for obtaining organic acids from Boltysh oil shale containing 43.12 percent organic matter were studied by oxidizing the shale with air in a water-alkali medium at different temperatures, oxidation times, and alkali consumptions. Maximum yield of 42.6 percent of high molecular acids was obtained at 175/sup 0/C; the yield of dibasic acids increased to 22 percent with increasing temperature. The degree of oxidation of shale kerogen increased from 55.6 to 79.6 percent with increase in oxidation time from 1 to 5 hours, the reaction proceeding stepwise from shale kerogen to high-molecular acids to dibasic acids.

  8. Utilization of recycled glass derived from cathode ray tube glass as fine aggregate in cement mortar. (United States)

    Ling, Tung-Chai; Poon, Chi-Sun


    Rapid advances in the electronic industry led to an excessive amount of early disposal of older electronic devices such as computer monitors and old televisions (TV) before the end of their useful life. The management of cathode ray tubes (CRT), which have been a key component in computer monitors and TV sets, has become a major environmental problem worldwide. Therefore, there is a pressing need to develop sustainable alternative methods to manage hazardous CRT glass waste. This study assesses the feasibility of utilizing CRT glass as a substitute for natural aggregates in cement mortar. The CRT glass investigated was an acid-washed funnel glass of dismantled CRT from computer monitors and old TV sets. The mechanical properties of mortar mixes containing 0%, 25%, 50%, 75% and 100% of CRT glass were investigated. The potential of the alkali-silica reaction (ASR) and leachability of lead were also evaluated. The results confirmed that the properties of the mortar mixes prepared with CRT glass was similar to that of the control mortar using sand as fine aggregate, and displayed innocuous behaviour in the ASR expansion test. Incorporating CRT glass in cement mortar successfully prevented the leaching of lead. We conclude that it is feasible to utilize CRT glass in cement mortar production.

  9. Acetone:isomedzation and aggregation

    Institute of Scientific and Technical Information of China (English)

    HU Zhan; JIN Ming-xing; XU Xue-song; CHENG Xi-hui; DING Da-jun


    The advanced experimental and theoretical techniques enable us to obtain information on the rearrangement of atoms or molecules in a reaction nowadays.As an example,we report on our research work on acetone isomerization and aggregation to give an insight into the reaction pathways,the products and their structures,and the growth regularity of aggregation.The evidences on the structural change of acetone and the stability of acetone clusters are found by a laser ionization mass spectrometer and the results are interpreted from theoretical analysis based on the DFT/B3LYP method.Various isomerization channels of acetone have been established and the optimal structures of the neutral clusters (CH3COCH3)n and the protonated acetone clusters (CH3COCHa)n H+ for n=1-7 have been determined.

  10. Structure and photoabsorption properties of cationic alkali dimers solvated in neon clusters. (United States)

    Zanuttini, D; Douady, J; Jacquet, E; Giglio, E; Gervais, B


    We present a theoretical investigation of the structure and optical absorption of M(2)(+) alkali dimers (M=Li,Na,K) solvated in Ne(n) clusters for n=1 to a few tens Ne atoms. For all these alkali, the lowest-energy isomers are obtained by aggregation of the first Ne atoms at the extremity of the alkali molecule. This particular geometry, common to other M(2)(+)-rare gas clusters, is intimately related to the shape of the electronic density of the X  (2)Σ(g)(+) ground state of the bare M(2)(+) molecules. The structure of the first solvation shell presents equilateral Ne(3) and capped pentagonal Ne(6) motifs, which are characteristic of pure rare gas clusters. The size and geometry of the complete solvation shell depend on the alkali and were obtained at n=22 with a D(4h) symmetry for Li and at n=27 with a D(5h) symmetry for Na. For K, our study suggests that the closure of the first solvation shell occurs well beyond n=36. We show that the atomic arrangement of these clusters has a profound influence on their optical absorption spectrum. In particular, the XΣ transition from the X  (2)Σ(g)(+) ground state to the first excited (2)Σ(u)(+) state is strongly blueshifted in the Frank-Condon area.

  11. Alkali-metalated forms of thiacalix[4]arenes. (United States)

    Zeller, Jürgen; Radius, Udo


    The alkali metal salts [TCALi4] (1), [TCANa4] (2), and [TCALK4] (3) of fully deprotonated p-tert-butyltetrathiacalix[4]arene (H(4)TCA) are readily available from the reactions of thiacalix[4]arene and n-BuLi, NaH, or KH as deprotonating reagents. Crystals of the sodium salts 2 and the potassium salt 3 suitable for X-ray diffraction were obtained in the form of the pyridine solvates [(TCA)2Na8.8py] (2.8py) and [(TCA)2K(8).8py] (3.8py). These molecules are dimers in the solid state but are structurally not related. In addition, the reaction of H(4)TCA and lithium hydroxide afforded the structurally characterized complex [(TCA)Li5(OH).4THF] (4). The molecular structure of 4 as well as the structures of 2.8py and 3.8py reveal a close relationship to the corresponding alkali metal salts of the calix[4]arenes.

  12. Influence of curing conditions on durability of alkali-resistant glass fibres in cement matrix

    Indian Academy of Sciences (India)

    Arabi Nourredine


    Glass fibres in concrete material often increase the flexural strength. However, these fibres when in contact with cement are altered by alkali reactions due to the presence of portlandite. This study presents the results of investigation to show the effect of curing conditions on the durability of alkali-resistant glass fibres in cement matrix. Test results show that even alkali resistant fibres treated with zirconium oxide present the same degradation phenomenon. They also show that the nature of the cement has a large influence on the protection of the fibres: the Portland CEM II is less damaging than the CEM I. The substitutions of a part of cement by silica fume gave no substantial improvements to the mechanical strength of the glass fibre reinforced cement (GFRC). However, the observed microstructures in the samples show that the degradation is weakened with the addition of silica fumes. The analytical techniques used in this study are scanning electron microscope (SEM) and X-ray diffraction.

  13. Improvement of Bearing Capacity in Recycled Aggregates Suitable for Use as Unbound Road Sub-Base

    Directory of Open Access Journals (Sweden)

    Laura Garach


    Full Text Available Recycled concrete aggregates and mixed recycled aggregates are specified as types of aggregates with lower densities, higher water absorption capacities, and lower mechanical strength than natural aggregates. In this paper, the mechanical behaviour and microstructural properties of natural aggregates, recycled concrete aggregates and mixed recycled aggregates were compared. Different specimens of unbound recycled mixtures demonstrated increased resistance properties. The formation of new cement hydrated particles was observed, and pozzolanic reactions were discovered by electronon microscopy in these novel materials. The properties of recycled concrete aggregates and mixed recycled aggregates suggest that these recycled materials can be used in unbound road layers to improve their mechanical behaviour in the long term.

  14. Device and method for upgrading petroleum feedstocks and petroleum refinery streams using an alkali metal conductive membrane

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard; Alvare, Javier


    A reactor has two chambers, namely an oil feedstock chamber and a source chamber. An ion separator separates the oil feedstock chamber from the source chamber, wherein the ion separator allows alkali metal ions to pass from the source chamber, through the ion separator, and into the oil feedstock chamber. A cathode is at least partially housed within the oil feedstock chamber and an anode is at least partially housed within the source chamber. A quantity of an oil feedstock is within the oil feedstock chamber, the oil feedstock comprising at least one carbon atom and a heteroatom and/or one or more heavy metals, the oil feedstock further comprising naphthenic acid. When the alkali metal ion enters the oil feedstock chamber, the alkali metal reacts with the heteroatom, the heavy metals and/or the naphthenic acid, wherein the reaction with the alkali metal forms inorganic products.


    Energy Technology Data Exchange (ETDEWEB)

    Hemrick, James Gordon [ORNL; Smith, Jeffrey D [ORNL; O' Hara, Kelley [University of Missouri, Rolla; Rodrigues-Schroer, Angela [Minteq International, Inc.; Colavito, [Minteq International, Inc.


    A project was led by Oak Ridge National Laboratory (ORNL) in collaboration with a research team comprised of the academic institution Missouri University of Science and Technology (MS&T), and the industrial company MINTEQ International, Inc. (MINTEQ), along with representatives from the aluminum, chemical, glass, and forest products industries. The project was to address the need for new innovative refractory compositions by developing a family of novel MgO-Al 2O3, MgAl2O4, or other similar spinel structured or alumina-based unshaped refractory compositions (castables, gunnables, shotcretes, etc.) utilizing new aggregate materials, bond systems, protective coatings, and phase formation techniques (in-situ phase formation, altered conversion temperatures, accelerated reactions, etc). This family of refractory compositions would then be tailored for use in high-temperature, high-alkaline industrial environments like those found in the aluminum, chemical, forest products, glass, and steel industries. Both practical refractory development experience and computer modeling techniques were used to aid in the design of this new family of materials. The newly developed materials were expected to offer alternative material choices for high-temperature, high-alkali environments that were capable of operating at higher temperatures (goal of increasing operating temperature by 100-200oC depending on process) or for longer periods of time (goal of twice the life span of current materials or next process determined service increment). This would lead to less process down time, greater energy efficiency for associated manufacturing processes (more heat kept in process), and materials that could be installed/repaired in a more efficient manner. The overall project goal was a 5% improvement in energy efficiency (brought about through a 20% improvement in thermal efficiency) resulting in a savings of 3.7 TBtu/yr (7.2 billion ft3 natural gas) by the year 2030. Additionally, new

  16. Surface-active ionic liquids in micellar catalysis: impact of anion selection on reaction rates in nucleophilic substitutions† †Electronic supplementary information (ESI) available: Formulae for calculating aggregation parameters and fitting of kinetic constants and copies of NMR spectra. See DOI: 10.1039/c6cp00493h Click here for additional data file. (United States)

    Cognigni, Alice; Gaertner, Peter; Zirbs, Ronald; Peterlik, Herwig; Prochazka, Katharina; Schröder, Christian


    A series of surface-active ionic liquids based on the 1-dodecyl-3-methylimidazolium cation and different anions such as halides and alkylsulfates was synthesized. The aggregation behavior of these ionic liquids in water was characterized by surface tension, conductivity measurements and UV-Vis spectroscopy in order to determine the critical micelle concentration (CMC) and to provide aggregation parameters. The determination of surface activity and aggregation properties of amphiphilic ionic liquids was accompanied by SAXS studies on selected surface-active ionic liquids. The application of these surface-active ionic liquids with different anions was tested in nucleophilic substitution reactions for the degradation of organophosphorus compounds. Kinetic studies via UV-Vis spectrophotometry showed a strong acceleration of the reaction in the micellar system compared to pure water. In addition, an influence of the anion was observed, resulting in a correlation between the anion binding to the micelle and the reaction rate constants, indicating that the careful choice of the surface-active ionic liquid can considerably affect the outcome of reactions. PMID:27121134

  17. Controlled Reactions between Ultracold Alkali and Metastable Helium Atoms

    CERN Document Server

    Flores, Adonis Silva; Knoop, Steven


    In an ultracold, optically trapped mixture of $^{87}$Rb and metastable triplet $^4$He atoms we have studied trap loss for different spin-state combinations, for which interspecies Penning ionization is the main two-body loss process. We observe long trapping lifetimes for the purely quartet spin-state combination, indicating strong suppression of Penning ionization loss by at least two orders of magnitude. For the other spin-mixtures we observe short lifetimes that depend linearly on the doublet character of the entrance channel. We compare the extracted loss rate coefficient with recent predictions of multichannel quantum-defect theory for reactive collisions involving a strong exothermic loss channel and find near-universal loss for doublet scattering. Our work demonstrates control of reactive collisions by internal atomic state preparation, which also implies magnetic field tunability.

  18. Presence of chelonid fibropapilloma-associated herpesvirus in tumored and non-tumored green turtles, as detected by polymerase chain reaction, in endemic and non-endemic aggregations, Puerto Rico. (United States)

    Page-Karjian, Annie; Torres, Fernando; Zhang, Jian; Rivera, Samuel; Diez, Carlos; Moore, Phillip A; Moore, Debra; Brown, Corrie


    Fibropapillomatosis (FP), a transmissible neoplastic disease of marine turtles characterized by a likely herpesviral primary etiology, has emerged as an important disease in green sea turtles (Chelonia mydas) over the past three decades. The objectives of this study were to determine the suitability of three different chelonid fibropapilloma-associated herpesvirus (CFPHV) gene targets in polymerase chain reaction (PCR) assays of affected tissues; to explore the presence of CFPHV in non-affected skin from turtles with and without tumors; and to better understand tissue localization of the CFPHV genome in a tumor-free turtle by evaluating CFPHV presence in microanatomic tissue sites. Two aggregations of green sea turtles (Chelonia mydas) in Puerto Rico were evaluated, with six sampling intervals over the three-year period 2004-2007. Primary and nested PCR for three different herpesviral gene targets- DNA polymerase, capsid maturation protease, and membrane glycoprotein B- were performed on 201 skin biopsies taken from 126 turtles with and without external tumors. Laser capture microdissection and nested PCR were used to identify tissue localizations of CFPHV in skin from a normal turtle. Of the turtles sampled in Manglar Bay, 30.5% had tumors; at the relatively more pristine Culebrita, 5.3% of turtles sampled had tumors. All three PCR primer combinations successfully amplified CFPHV from tumors, and from normal skin of both tumored and tumor-free turtles. Via nested PCR, the polymerase gene target proved superior to the other two gene targets in the positive detection of CFPHV DNA. CFPHV infection may be common relative to disease incidence, supporting the idea that extrinsic and/or host factors could play a transforming role in tumor expression. Laser capture microdissection revealed CFPHV in skin from a tumor-free turtle, harbored in both epidermal and dermal tissues. Identification of CFPHV harbored in a non-epidermal site (dermis) of a tumor-free turtle indicates

  19. A study of the ASR of an aggregate with high chert content by means of ultra-accelerated mortar bar test and pore fluid analysis

    NARCIS (Netherlands)

    Larbi, J.A.; Visser, J.H.M.


    Various studies have indicated that the use of some ultra-accelerated mortar bar expansion test methods for assessing the alkali-silica reactivity of concrete aggregates (particularly those using 1 M NaOH solution at 80 oC) can give rise to misleading results causing certain types of aggregates to b

  20. Distinguishing aggregate formation and aggregate clearance using cell based assays

    NARCIS (Netherlands)

    E. Eenjes, E.; J.M. Dragich; H. Kampinga (Harm); A. Yamamoto, A.


    textabstractThe accumulation of ubiquitinated proteinaceous inclusions represents a complex process, reflecting the disequilibrium between aggregate formation and aggregate clearance. Although decreasing aggregate formation or augmenting aggregate clearance will ultimately lead to diminished aggrega

  1. Mechanical and microstructural properties of alkali-activated fly ash geopolymers. (United States)

    Komljenović, M; Bascarević, Z; Bradić, V


    This paper investigates the properties of geopolymer obtained by alkali-activation of fly ash (FA), i.e. the influence of characteristics of the representative group of FA (class F) from Serbia, as well as that of the nature and concentration of various activators on mechanical and microstructural properties of geopolymers. Aqueous solutions of Ca(OH)(2), NaOH, NaOH+Na(2)CO(3), KOH and sodium silicate (water glass) of various concentrations were used as alkali activators. It was established that the nature and concentration of the activator was the most dominant parameter in the alkali-activation process. In respect of physical characteristics of FA, the key parameter was fineness. The geopolymer based on FA with the highest content of fine particles (<43 microm), showed the highest compressive strength in all cases. Regardless of FA characteristics, nature and concentration of the activator, the alkali-activation products were mainly amorphous. The formation of crystalline phases (zeolites) occurred in some cases, depending on the reaction conditions. The highest compressive strength was obtained using sodium silicate. Together with the increase of sodium silicate SiO(2)/Na(2)O mass ratio, the atomic Si/Al ratio in the reaction products was also increased. Under the experimental conditions of this investigation, high strength was directly related to the high Si/Al ratio.

  2. Selection of non-adsorbing alkali components

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.H.D.; Natesan, K.; Swift, W.M.


    This project consists of three phases of laboratory experimental study. In phase I (screening), eight candidate materials, 304SS (serves as a base material for comparison), Hastelloy C-276, Hastelloy X, Haynes No. 188, Allonized 304SS, Pt-coated 304SS, and ceramic-coated 304SS, will be subjected to atmospheric TGA study under the simulated PFBC (oxidizing) environment with and without alkali vapor doping. Each candidate material will be evaluated for its resistance toward alkali-vapor capture. In addition, a post-test metallographic characterization of the sample will be performed to obtain a better understanding of the alkali capture mechanism and material behavior. The material(s) with little or no alkali-vapor adsorption will be selected as the promising material(s) for the Phase II study. In Phase II, the promising material(s) will be further tested in the TGA under elevated pressure to simulate the PFBC environment (in terms of temperature, pressure, and gas composition). The effect of pressure on the extent of alkali-vapor adsorption will be evaluated, and the test samples will be metallographically characterized. The most promising candidate material(s) will be identified and recommended for further tesfing in the actual PFBC environment. In Phase III, four materials will be selected from the eight candidate materials screened in the PFBC environment and will be evaluated for their alkali-vapor capture by atmospheric TGA under the coal gasification fuel gas (reducing) environment. The tested samples will also be metallographically characterized. The most promising material(s) will be identified and recommended for further testing in the actual coal gasification environment.

  3. Selection of non-adsorbing alkali components

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.H.D.; Natesan, K.; Swift, W.M.


    This project consists of three phases of laboratory experimental study. In phase I (screening), eight candidate materials, 304SS (serves as a base material for comparison), Hastelloy C-276, Hastelloy X, Haynes No. 188, Allonized 304SS, Pt-coated 304SS, and ceramic-coated 304SS, will be subjected to atmospheric TGA study under the simulated PFBC (oxidizing) environment with and without alkali vapor doping. Each candidate material will be evaluated for its resistance toward alkali-vapor capture. In addition, a post-test metallographic characterization of the sample will be performed to obtain a better understanding of the alkali capture mechanism and material behavior. The material(s) with little or no alkali-vapor adsorption will be selected as the promising material(s) for the Phase II study. In Phase II, the promising material(s) will be further tested in the TGA under elevated pressure to simulate the PFBC environment (in terms of temperature, pressure, and gas composition). The effect of pressure on the extent of alkali-vapor adsorption will be evaluated, and the test samples will be metallographically characterized. The most promising candidate material(s) will be identified and recommended for further tesfing in the actual PFBC environment. In Phase III, four materials will be selected from the eight candidate materials screened in the PFBC environment and will be evaluated for their alkali-vapor capture by atmospheric TGA under the coal gasification fuel gas (reducing) environment. The tested samples will also be metallographically characterized. The most promising material(s) will be identified and recommended for further testing in the actual coal gasification environment.

  4. Preformed Seeds Modulate Native Insulin Aggregation Kinetics. (United States)

    Dutta, Colina; Yang, Mu; Long, Fei; Shahbazian-Yassar, Reza; Tiwari, Ashutosh


    Insulin aggregates under storage conditions via disulfide interchange reaction. It is also known to form aggregates at the site of repeated injections in diabetes patients, leading to injection amyloidosis. This has fueled research in pharmaceutical and biotechnology industry as well as in academia to understand factors that modulate insulin stability and aggregation. The main aim of this study is to understand the factors that modulate aggregation propensity of insulin under conditions close to physiological and measure effect of "seeds" on aggregation kinetics. We explored the aggregation kinetics of insulin at pH 7.2 and 37 °C in the presence of disulfide-reducing agent dithiothreitol (DTT), using spectroscopy (UV-visible, fluorescence, and Fourier transform infrared spectroscopy) and microscopy (scanning electron microscopy, atomic force microscopy) techniques. We prepared insulin "seeds" by incubating disulfide-reduced insulin at pH 7.2 and 37 °C for varying lengths of time (10 min to 12 h). These seeds were added to the native protein and nucleation-dependent aggregation kinetics was measured. Aggregation kinetics was fastest in the presence of 10 min seeds suggesting they were nascent. Interestingly, intermediate seeds (30 min to 4 h incubation) resulted in formation of transient fibrils in 4 h that converted to amorphous aggregates upon longer incubation of 24 h. Overall, the results show that insulin under disulfide reducing conditions at pH and temperature close to physiological favors amorphous aggregate formation and seed "maturity" plays an important role in nucleation dependent aggregation kinetics.

  5. Microstructural and Mechanical Properties of Alkali Activated Colombian Raw Materials

    Directory of Open Access Journals (Sweden)

    Maria Criado


    Full Text Available Microstructural and mechanical properties of alkali activated binders based on blends of Colombian granulated blast furnace slag (GBFS and fly ash (FA were investigated. The synthesis of alkali activated binders was conducted at 85 °C for 24 h with different slag/fly ash ratios (100:0, 80:20, 60:40, 40:60, 20:80, and 0:100. Mineralogical and microstructural characterization was carried out by means of X-ray diffraction (XRD, Fourier transform infrared spectroscopy (FTIR, Scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDX and Nuclear magnetic resonance (NMR. Mechanical properties were evaluated through the compressive strength, modulus of elasticity and Poisson’s ratio. The results show that two different reaction products were detected in the slag/fly ash mixtures, a calcium silicate hydrate with Al in its structure (C-A-S-H gel and a sodium aluminosilicate hydrate (N-A-S-H gel with higher number of polymerized species and low content in Ca. It was found that with the increase of the amount of added slag, the amount of C-A-S-H gel increased and the amount of N-A-S-H gel decreased. The matrix was more dense and compact with almost absence of pores. The predominance of slag affected positively the compressive strength, Young’s modulus and Poisson’s ratio, with 80% slag and 20% fly ash concrete being the best mechanical performance blend.

  6. Positronium impact ionization of Alkali atoms

    CERN Document Server

    Ghosh, D


    Target ionization processes of alkali atoms by Positronium impact are investigated. Calculations are performed in the frame work of model potential formalism using the Coulomb distorted eikonal approximation. Interesting qualitative features are noted both in the scattered Ps and the ejected electron distributions in differential as well as double differential levels of the collision cross sections.

  7. Chlorate reduction in the brine circuit of a chlor-alkali electrolysis. Chlorat-Reduktion im Solekreislauf einer Chlor-Alkali-Elektrolyse

    Energy Technology Data Exchange (ETDEWEB)

    Rodermund, R.


    The influence of reactant concentrations and temperature on the rate and selectivity of the chlorate/hydrochloric acid reaction was determined experimentally. A model equation system was derived on the basis of a reaction mechanism describing the reaction between chlorate and hydrochloric acid at high H/sup +/ and Cl/sup -/ concentrations in the temperature range between 40 and 90/sup 0/C. The reaction of chlorate and hydrochloric acid was found to be sufficient to maintain a low chlorate level in the brine circuit of a chlor-alkali electrolysis. ClO/sub 2/ formation is negligible if suitable reaction conditions are chosen. Further, a model equation based on Henry's law was established for the solubility of ClO/sub 2/ in mixed solutions of HCl and NaCl in the temperature range of 40 to 90/sup 0/C.

  8. Nouvelle approche pour le suivi de la réactivité de phases SiO2 soumises à la Réaction Alcali Silice (RAS New approach for monitoring the reactivity of SiO2 phases subject to Alkali Silica Reaction (SAR

    Directory of Open Access Journals (Sweden)

    Harfouche M.


    Full Text Available Nous avons suivi- au moyen de la microscopie électronique à balayage environnementale (MEBE la diffraction X et la spectroscopie d’absorption des rayons X sous rayonnement synchrotron (XANES- la réactivité de certaines phases SiO2 lors du processus de la Réaction Alcali Silice (RAS. Cette réactivité est étroitement liée à la structure locale autour des atomes de silicium ainsi qu’à la présence d’impuretés comme le fer. Dans le cas du silex brut, la raie blanche du seuil K du fer ressemble davantage à celle de Fe3O4 ce qui permet de déduire la présence d’un mélange de Fe2+/Fe3+ dans le silex de départ. Après réaction, l’allure du spectre d’absorption des rayons X au seuil K du fer du silex est conservée avec un léger déplacement de la raie blanche vers les hautes énergies. Cette augmentation montre une prédominance de la valence Fe3+ au détriment de la valence Fe2+. Les résultats montrent que le fer participe à la stabilisation de la structure des phases formées. Cette étude peut être étendue à d’autres éléments traces présents dans la structure du silex de départ. In this study the reactivity of some SiO2 phases under Alkali Silica Reaction (RAS process is followed, using the environmental scanning electron microscopy (ESEM X-ray diffraction and absorption spectroscopy X-ray synchrotron radiation (XANES. This reactivity is closely related to the local structure around the silicon atoms and the presence of impurities such as iron. In the case of flint raw skate white iron K line is more like that of Fe3O4 which allows to deduce the presence of a mixture of Fe2+ / Fe3+ in the flint to start. After reaction, the shape of the spectrum of X-ray absorption K edge of iron in the flint is retained with a slight displacement of the white stripe to high energies. This increase shows a predominance of the valence Fe3+ at the expense of Fe2+ valence. The results show that iron is involved in stabilizing the

  9. Fractal Geometry of Particle Aggregates Formed in Calcium Sulfite Slurry

    Institute of Scientific and Technical Information of China (English)

    倪伟敏; 吴忠标; 官宝红; 赵伟荣; 郑平


    The solid-liquid separation is an important operation for the regenerated slurry of dual-alkali FGD system, and calcium sulfite could predominate in particle aggregates of the slurry. The settling velocity of calcium sulfite particles is a key parameter for the solid-liquid separation design. However, the settling velocity predicted by Stokes' Law could be suitable only for a spherical aggregate, but not for the irregular one. In this work, fractal geometry was introduced in order to characterize highly irregular geometric shapes. The sizes of calcium sulfite particle aggregates were analyzed using a metallographic phase microscope and image analysis. The results showed that particle aggregate had fractal features. The fractal dimensions could reveal the characteristics of the aggregates' geometry and aggregation process. An exponential relation between the fractal dimension D2 and the particle size l was determined as AμlD2. According to fractal theory, a parameter can be used to modify Stokes settling velocity close to actual settling velocity. The results could be valuable for the design of solid-liquid separation process.

  10. Structural and Magnetic Diversity in Alkali-Metal Manganate Chemistry: Evaluating Donor and Alkali-Metal Effects in Co-complexation Processes. (United States)

    Uzelac, Marina; Borilovic, Ivana; Amores, Marco; Cadenbach, Thomas; Kennedy, Alan R; Aromí, Guillem; Hevia, Eva


    By exploring co-complexation reactions between the manganese alkyl Mn(CH2SiMe3)2 and the heavier alkali-metal alkyls M(CH2SiMe3) (M=Na, K) in a benzene/hexane solvent mixture and in some cases adding Lewis donors (bidentate TMEDA, 1,4-dioxane, and 1,4-diazabicyclo[2,2,2] octane (DABCO)) has produced a new family of alkali-metal tris(alkyl) manganates. The influences that the alkali metal and the donor solvent impose on the structures and magnetic properties of these ates have been assessed by a combination of X-ray, SQUID magnetization measurements, and EPR spectroscopy. These studies uncover a diverse structural chemistry ranging from discrete monomers [(TMEDA)2 MMn(CH2SiMe3)3] (M=Na, 3; M=K, 4) to dimers [{KMn(CH2SiMe3)3 ⋅C6 H6}2] (2) and [{NaMn(CH2SiMe3)3}2 (dioxane)7] (5); and to more complex supramolecular networks [{NaMn(CH2SiMe3)3}∞] (1) and [{Na2Mn2 (CH2SiMe3)6 (DABCO)2}∞] (7)). Interestingly, the identity of the alkali metal exerts a significant effect in the reactions of 1 and 2 with 1,4-dioxane, as 1 produces coordination adduct 5, while 2 forms heteroleptic [{(dioxane)6K2Mn2 (CH2SiMe3)4(O(CH2)2OCH=CH2)2}∞] (6) containing two alkoxide-vinyl anions resulting from α-metalation and ring opening of dioxane. Compounds 6 and 7, containing two spin carriers, exhibit antiferromagnetic coupling of their S=5/2 moments with varying intensity depending on the nature of the exchange pathways.

  11. Synthesis and Selective Coloration of Monoaza Crown Ethers Bearing Picrylamino-type Side Arms for Alkali Metal Salts and Methylamine

    Institute of Scientific and Technical Information of China (English)

    Wei ZENG; Zhi Hua MAO; Mi GONG; Chun Chun ZHANG; Sheng Ying QIN; Jun SU


    N-pivot lariat ethers with picrylamino group as a chromophore (1, 2 and 3) have been prepared by reaction of N-(4-aminoaryl)monoaza crown ethers with picryl chrolide, and the selective coloration of 1, 2 and 3 for alkali metal salts and amines has been studied by UV-Vis spectra.

  12. Platelet activation and aggregation

    DEFF Research Database (Denmark)

    Jensen, Maria Sander; Larsen, O H; Christiansen, Kirsten


    This study introduces a new laboratory model of whole blood platelet aggregation stimulated by endogenously generated thrombin, and explores this aspect in haemophilia A in which impaired thrombin generation is a major hallmark. The method was established to measure platelet aggregation initiated...

  13. Aggregations in Flatworms. (United States)

    Liffen, C. L.; Hunter, M.


    Described is a school project to investigate aggregations in flatworms which may be influenced by light intensity, temperature, and some form of chemical stimulus released by already aggregating flatworms. Such investigations could be adopted to suit many educational levels of science laboratory activities. (DS)

  14. Local structure of alkalis in mixed-alkali borate glass to elucidate the origin of mixed-alkali effect

    Directory of Open Access Journals (Sweden)

    Yomei Tokuda


    Full Text Available We report the structural analysis of Na+ and Cs+ in sodium cesium borate crystals and glasses using 23Na and 133Cs magic-angle spinning nuclear magnetic resonance (MAS NMR spectroscopy. The composition dependence of NMR spectra of the borate was similar to that of the silicate: (1 the peak position of cesium borate crystals shifted to upfield for structures with larger Cs+ coordination numbers, (2 the MAS NMR spectra of xNa2O-yCs2O-3B2O3 (x = 0, 0.25, 0.5, 0.75, 1.0, x + y = 1 glass showed that the average coordination number (CN of both the alkali cations decreases with increasing Cs+/(Na+ + Cs+ ratio. However, the degree of decrement in borates is much smaller than that in silicates. We have considered that the small difference in CN is due to 4-coordinated B, because it is electrically compensated by the alkali metal ions resulting in the restriction of having various coordinations of O to alkali metal.

  15. Aggregates from mineral wastes

    Directory of Open Access Journals (Sweden)

    Baic Ireneusz


    Full Text Available The problem concerning the growing demand for natural aggregates and the need to limit costs, including transportation from remote deposits, cause the increase in growth of interest in aggregates from mineral wastes as well as in technologies of their production and recovery. The paper presents the issue related to the group of aggregates other than natural. A common name is proposed for such material: “alternative aggregates”. The name seems to be fully justified due to adequacy of this term because of this raw materials origin and role, in comparison to the meaning of natural aggregates based on gravel and sand as well as crushed stones. The paper presents characteristics of the market and basic application of aggregates produced from mineral wastes, generated in the mining, power and metallurgical industries as well as material from demolished objects.

  16. Improved hydrogen desorption from lithium hydrazide by alkali metal hydride

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Liang, E-mail: [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan); Miyaoka, Hiroki [Institute for Sustainable Sciences and Development, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan); Ichikawa, Takayuki; Kojima, Yoshitsugu [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan)


    Highlights: •LiH can dramatically improve the hydrogen desorption properties of LiNHNH{sub 2}. •KH doping had positive effect in promoting the hydrogen desorption properties of LiNHNH{sub 2}–LiH mixture. •The reaction mechanism between LiNHNH{sub 2} and LiH was studied and discussed. -- Abstract: Lithium hydrazide (LiNHNH{sub 2}), which is a white solid with 8.0 mass% of theoretical hydrogen content, was synthesized from a reaction between anhydrous hydrazine and n-butyllithium in diethyl ether. The thermodynamic properties of this compound and its detailed decomposition pathways had been investigated in our previous work. However, a number of undesired gaseous products such as hydrazine (N{sub 2}H{sub 4}) and ammonia (NH{sub 3}) were generated during the thermal decomposition of LiNHNH{sub 2}. In this work, alkali metal hydride was used to suppress the impurities in the desorbed hydrogen and improved the hydrogen desorption properties. The reaction mechanism between LiNHNH{sub 2} and LiH was also studied and discussed in this paper.

  17. Removal of Retired Alkali Metal Test Systems

    Energy Technology Data Exchange (ETDEWEB)

    Brehm, W. F.; Church, W. R.; Biglin, J. W.


    This paper describes the successful effort to remove alkali metals, alkali metal residues, and piping and structures from retired non-radioactive test systems on the Hanford Site. These test systems were used between 1965 and 1982 to support the Fast Flux Test Facility and the Liquid Metal Fast Breeder Reactor Program. A considerable volume of sodium and sodium-potassium alloy (NaK) was successfully recycled to the commercial sector; structural material and electrical material such as wiring was also recycled. Innovative techniques were used to safely remove NaK and its residues from a test system that could not be gravity-drained. The work was done safely, with no environmental issues or significant schedule delays.

  18. Infrared spectra of FHF - in alkali halides (United States)

    Chunnilall, C. J.; Sherman, W. F.


    The bifluoride ion, FHF -, has been substitutionally isolated within single crystal samples of several different alkali halides. Infrared spectra of these crystals have been studied for sample temperatures down to 8K when half-bandwidths of less than 1 cm -1 have been observed. (Note that at room temperature ν 3 is observed to have a half-bandwidth of about 40 cm -1). The frequency shifts and half-bandwidth changes caused by cooling are considered together with the frequency shifts caused by pressures up to 10 k bar. The low temperature spectra clearly indicate that FHF - is a linear symmetrical ion when substitutionally isolated within alkali halides of either the NaCl or CsCl structure.

  19. Sulfate Resistance of Alkali Activated Pozzolans


    Bondar, Dali


    The consequence of sulfate attack on geopolymer concrete, made from an alkali activated natural pozzolan (AANP) has been studied in this paper. Changes in the compressive strength, expansion and capillary water absorption of specimens have been investigated combined with phases determination by means of X-ray diffraction. At the end of present investigation which was to evaluate the performance of natural alumina silica based geopolymer concrete in sodium and magnesium sulfate solution, the l...

  20. Ion Pairing in Alkali Nitrate Electrolyte Solutions. (United States)

    Xie, Wen Jun; Zhang, Zhen; Gao, Yi Qin


    In this study, we investigate the thermodynamics of alkali nitrate salt solutions, especially the formation of contact ion pairs between alkali cation and nitrate anion. The ion-pairing propensity shows an order of LiNO3 activity coefficients and suggest that the empirical "law of matching water affinity" is followed by these alkali nitrate salt solutions. The spatial patterns of contact ion pairs are different in the three salt solutions studied here: Li(+) forms the contact ion pair with only one oxygen of the nitrate while Na(+) and K(+) can also be shared by two oxygens of the nitrate. In reproducing the salt activity coefficient using Kirkwood-Buff theory, we find that it is essential to include electronic polarization for Li(+) which has a high charge density. The electronic continuum correction for nonpolarizable force field significantly improves the agreement between the calculated activity coefficients and their experimental values. This approach also improves the performance of the force field on salt solubility. From these two aspects, this study suggests that electronic continuum correction can be a promising approach to force-field development for ions with high charge densities.

  1. Catalysis by alkali and alkaline-earth metal ions in nucleophilic attack of methoxide ion on crown ethers bearing an intra-annular acetoxy group

    NARCIS (Netherlands)

    Cacciapaglia, Roberta; Lucente, Silvia; Mandolini, Luigi; Doorn, van Arie R.; Reinhoudt, David N.; Verboom, Willem


    Rates of reaction of methoxide ion with crown ethers bearing an intra-annular acetoxy group are markedly enhanced by alkali and alkaline-earth metal bromides as a result of much stronger interactions of the metal ions with transition states than with reactants. Rates of reactions of methoxide ion w

  2. Alkali metal-cationized serine clusters studied by sonic spray ionization tandem mass spectrometry. (United States)

    Nanita, Sergio C; Sokol, Ewa; Cooks, R Graham


    Serine solutions containing salts of alkali metals yield magic number clusters of the type (Ser(4)+C)(+), (Ser(8)+C)(+), (Ser(12)+C)(+), and (Ser(17)+2C)(+2) (where C = Li(+), Na(+), K(+), Rb(+), or Cs(+)), in relative abundances which are strongly dependent on the cation size. Strong selectivity for homochirality is involved in the formation of serine tetramers cationized by K(+), Rb(+), and Cs(+). This is also the case for the octamers cationized by the smaller alkalis but there is a strong preference for heterochirality in the octamers cationized by the larger alkali cations. Tandem mass spectrometry shows that the octamers and dodecamers cationized by K(+), Rb(+), and Cs(+) dissociate mainly by the loss of Ser(4) units, suggesting that the neutral tetramers are the stable building blocks of the observed larger aggregates, (Ser(8)+C)(+) and (Ser(12)+C)(+). Remarkably, although the Ser(4) units are formed with a strong preference for homochirality, they aggregate further regardless of their handedness and, therefore, with a preference for the nominally racemic 4D:4L structure and an overall strong heterochiral preference. The octamers cationized by K(+), Rb(+), or Cs(+) therefore represent a new type of cluster ion that is homochiral in its internal subunits, which then assemble in a random fashion to form octamers. We tentatively interpret the homochirality of these tetramers as a consequence of assembly of the serine molecules around a central metal ion. The data provide additional evidence that the neutral serine octamer is homochiral and is readily cationized by smaller ions.

  3. Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

    Institute of Scientific and Technical Information of China (English)

    FANG,Yu(房喻); YIN,Yi-Qing(尹艺青); HU,Dao-Dao(胡道道); GAO,Gai-Ling(高改玲)


    The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques. It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes. The aggregates are not solvolyzed in acetone, and do not take part in any chemical reactions either. It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone. The aggregation is reversible, and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.

  4. Detailed Aggregate Resources Study, Dry Lake Valley, Nevada. (United States)



  5. Protein aggregate myopathies

    Directory of Open Access Journals (Sweden)

    Sharma M


    Full Text Available Protein aggregate myopathies (PAM are an emerging group of muscle diseases characterized by structural abnormalities. Protein aggregate myopathies are marked by the aggregation of intrinsic proteins within muscle fibers and fall into four major groups or conditions: (1 desmin-related myopathies (DRM that include desminopathies, a-B crystallinopathies, selenoproteinopathies caused by mutations in the, a-B crystallin and selenoprotein N1 genes, (2 hereditary inclusion body myopathies, several of which have been linked to different chromosomal gene loci, but with as yet unidentified protein product, (3 actinopathies marked by mutations in the sarcomeric ACTA1 gene, and (4 myosinopathy marked by a mutation in the MYH-7 gene. While PAM forms 1 and 2 are probably based on impaired extralysosomal protein degradation, resulting in the accumulation of numerous and diverse proteins (in familial types in addition to respective mutant proteins, PAM forms 3 and 4 may represent anabolic or developmental defects because of preservation of sarcomeres outside of the actin and myosin aggregates and dearth or absence of other proteins in these actin or myosin aggregates, respectively. The pathogenetic principles governing protein aggregation within muscle fibers and subsequent structural sarcomeres are still largely unknown in both the putative catabolic and anabolic forms of PAM. Presence of inclusions and their protein composition in other congenital myopathies such as reducing bodies, cylindrical spirals, tubular aggregates and others await clarification. The hitherto described PAMs were first identified by immunohistochemistry of proteins and subsequently by molecular analysis of their genes.

  6. Charged Dust Aggregate Interactions (United States)

    Matthews, Lorin; Hyde, Truell


    A proper understanding of the behavior of dust particle aggregates immersed in a complex plasma first requires a knowledge of the basic properties of the system. Among the most important of these are the net electrostatic charge and higher multipole moments on the dust aggregate as well as the manner in which the aggregate interacts with the local electrostatic fields. The formation of elongated, fractal-like aggregates levitating in the sheath electric field of a weakly ionized RF generated plasma discharge has recently been observed experimentally. The resulting data has shown that as aggregates approach one another, they can both accelerate and rotate. At equilibrium, aggregates are observed to levitate with regular spacing, rotating about their long axis aligned parallel to the sheath electric field. Since gas drag tends to slow any such rotation, energy must be constantly fed into the system in order to sustain it. A numerical model designed to analyze this motion provides both the electrostatic charge and higher multipole moments of the aggregate while including the forces due to thermophoresis, neutral gas drag, and the ion wakefield. This model will be used to investigate the ambient conditions leading to the observed interactions. This research is funded by NSF Grant 1414523.

  7. The different poisoning behaviors of various alkali metal containing compounds on SCR catalyst (United States)

    Du, Xuesen; Yang, Guangpeng; Chen, Yanrong; Ran, Jingyu; Zhang, Li


    Alkali metals are poisonous to the metal oxide catalyst for NO removal. The chemical configuration of alkali containing substance and interacting temperature can affect the poisoning profile. A computational method based on Frontier Molecular Orbital analysis was proposed to determine the reacting behavior of various alkali-containing substances with SCR catalyst. The results reveal that the poisoning reactivities of various substances can be ranked as: E (MOH) > E (M2SO4) > E(MCl) > E(MNO3) > E(MHSO4). The experimental activity tests of the catalysts calcined at stepped temperatures show that NaOH can react with the catalyst below 200 °C. NaCl and NaNO3 start to react with the catalyst at a temperature between 300 and 400 °C. Unlike MOH, MCl and MNO3, which can produce volatile or decomposable species for the anions after reacting with the catalyst, M2SO4 and MHSO4 will leave both cations and anions on the catalyst surface. The sulfate ions left on the catalyst can generate active acid sites for NH3 adsorption. The experimental results also show that Na2SO4 and NaHSO4 will not lower the NO conversion. The after-reaction influences of various alkali metals were studied using theoretical and experimental methods. The theoretical results show that the acidity decreases with doping of alkali metal. Experiments show a consistent result that the NO conversion decreases as undoped >LiCl > NaCl > KCl.

  8. Durability and acoustics of concrete with slag of cupola furnace as fine aggregate replacement

    Directory of Open Access Journals (Sweden)

    Ricardo Alfredo Cruz Hernández


    Full Text Available In this paper, it was evaluated the performance of concrete with crushed slag of cupola furnace (SCF as sand replacement in percentages of 0 %, 10 %, 15 % and 20 %, subjected to accelerated chemical attacks of carbonation, sulfation and alkali-aggregate reaction (AAR. The sound absorption characteristics of the material were determined through the sound absorption coefficient (α, and the noise reduction coefficient (NRC. Carbonation was evaluated through a closed camera with the 70 % concentration of carbon dioxide and conditions of relative humidity between 50 % and 70 %. The results indicated that the penetration depth of CO2 is lower when greater the percentage of substitution is. To accelerate the attack by sulfates, specimens were immersed in aqueous solution of sodium sulfate anhydrous (Na2SO4 1N with cycles of wetting and drying. It determined that the impairment presented in concrete paste is directly proportional to the percentage of sand replacement. The acceleration of the AAR in the concrete was carried out by immersing specimens in an aqueous solution of sodium hydroxide (NaOH for 16 days. The test concluded that the inclusion of SCF is not favorable for AAR. The measurement of sound absorption coefficient was taken by the method of impedance tube, relating minimum and maximum values of stationary wave amplitude. The results showed that SCF with higher sand replacement are favorable for the noise absorption in buildings.

  9. Aggregated Computational Toxicology Online Resource (United States)

    U.S. Environmental Protection Agency — Aggregated Computational Toxicology Online Resource (AcTOR) is EPA's online aggregator of all the public sources of chemical toxicity data. ACToR aggregates data...

  10. Catalytically active Au-O(OH)x-species stabilized by alkali ions on zeolites and mesoporous oxides. (United States)

    Yang, Ming; Li, Sha; Wang, Yuan; Herron, Jeffrey A; Xu, Ye; Allard, Lawrence F; Lee, Sungsik; Huang, Jun; Mavrikakis, Manos; Flytzani-Stephanopoulos, Maria


    We report that the addition of alkali ions (sodium or potassium) to gold on KLTL-zeolite and mesoporous MCM-41 silica stabilizes mononuclear gold in Au-O(OH)x-(Na or K) ensembles. This single-site gold species is active for the low-temperature (alkali ions and establishing an active site on various supports. The intrinsic activity of the single-site gold species is the same on irreducible supports as on reducible ceria, iron oxide, and titania supports, apparently all sharing a common, similarly structured gold active site. This finding paves the way for using earth-abundant supports to disperse and stabilize precious metal atoms with alkali additives for the WGS and potentially other fuel-processing reactions.

  11. The influence of chlorine on the fate and activity of alkali metals during the gasification of wood

    Energy Technology Data Exchange (ETDEWEB)

    Struis, R.; Scala, C. von; Schuler, A.; Stucki, S. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)


    Chlorine clearly inhibits the CO{sub 2}-gasification reaction of charcoal at 800{sup o}C. From this and other observations the picture emerges that the reduction in the gasification reactivity of the charcoal is intimately related to the deactivation of the catalytically active alkali metals residing in the wood due to the formation of the chloride salt. It is argued that the heavy metal chlorides will likely transfer the chlorine to the indigenous alkali metals during the pyrolysis stage of the wood. The fate of the thus formed alkali metal chlorides can then be either their removal from the sample (evaporation), or, when present at the gasification stage, re-activation (i.e., de-chlorination) under our gasification conditions. (author) 3 figs., 4 refs.

  12. Alkali-activated binders/geopolymer and an application to environmental engineering

    Directory of Open Access Journals (Sweden)

    Nida Chaimoon


    Full Text Available For environmental reason, new binders that can be used as Portland cement replacement materials are being needed. Recently, alkali-activated binders (AAB and geopolymer have found increasing interest. As several research reports have showed that the two new binders are likely to have high potential to be developed and become an alternative to OPC. However, confusion in the classification of both binders is still there. This paper reviews knowledge about AAB and geopolymer including historical background, reaction mechanisms and reaction products. The similarities and differences of both binders are discussed. The application to environmental engineering on hazardous waste management using stabilization/solidification is also described.

  13. Hydrothermal synthesis of mixed rare earth-alkali metal or ammonium fluorides

    Institute of Scientific and Technical Information of China (English)

    由芳田; 黄世华; 时秋峰


    The recent results on hydrothermal synthesis of mixed rare earth-alkali or ammonium fluorides were presented. The initial ratios of the starting materials, pH value and reaction temperature were the critical factors for obtaining the single-phase product. Four main types of complex rare earth fluorides, AREF4, A2REF5, ARE2F7 and ARE3F10 (A=Na+, K+, Rb+, NH4+), appeared in the primary hydrothermal reactions. The correlation between cation sizes and the formation of mixed rare earth fluorides under mild hydro...

  14. Quantitative characterization of non-classic polarization of cations on clay aggregate stability.

    Directory of Open Access Journals (Sweden)

    Feinan Hu

    Full Text Available Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+ at concentrations from10-5 to 10-1 mol L-1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation-surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability.

  15. Thermalization of different alkali and alkali-earth elements at the TRI{mu}P facility

    Energy Technology Data Exchange (ETDEWEB)

    Shidling, P.D., E-mail: P.Shidling@rug.n [Kernfysisch Versneller Instituut, University of Groningen, Zernikelaan 25, 9747 AA Groningen (Netherlands); Giri, G.S.; Hoek, D.J. van der; Jungmann, K.; Kruithof, W.L.; Onderwater, C.J.G.; Santra, B.; Sohani, M.; Versolato, O.O.; Willmann, L.; Wilschut, H.W. [Kernfysisch Versneller Instituut, University of Groningen, Zernikelaan 25, 9747 AA Groningen (Netherlands)


    Radioactive isotopes produced by the in-flight method are converted into low-energy ions with a thermal ionizer (TI) ion catcher, the operation of which is based on a hot cavity ion source. The extraction efficiency of the TI for different alkali and alkali-earth elements has been studied and compared to a model based on diffusion only. The model describes the stationary limit, i.e. the extraction efficiency, as well as the dynamic response of the TI output when the primary beam is switched on and off.

  16. Recycled aggregates concrete: aggregate and mix properties

    Directory of Open Access Journals (Sweden)

    González-Fonteboa, B.


    Full Text Available This study of structural concrete made with recycled concrete aggregate focuses on two issues: 1. The characterization of such aggregate on the Spanish market. This involved conducting standard tests to determine density, water absorption, grading, shape, flakiness and hardness. The results obtained show that, despite the considerable differences with respect to density and water absorption between these and natural aggregates, on the whole recycled aggregate is apt for use in concrete production. 2. Testing to determine the values of basic concrete properties: mix design parameters were established for structural concrete in non-aggressive environments. These parameters were used to produce conventional concrete, and then adjusted to manufacture recycled concrete aggregate (RCA concrete, in which 50% of the coarse aggregate was replaced by the recycled material. Tests were conducted to determine the physical (density of the fresh and hardened material, water absorption and mechanical (compressive strength, splitting tensile strength and modulus of elasticity properties. The results showed that, from the standpoint of its physical and mechanical properties, concrete in which RCA accounted for 50% of the coarse aggregate compared favourably to conventional concrete.

    Se aborda el estudio de hormigones estructurales fabricados con áridos reciclados procedentes de hormigón, incidiéndose en dos aspectos: 1. Caracterización de tales áridos, procedentes del mercado español. Para ello se llevan a cabo ensayos de densidad, absorción, granulometría, coeficiente de forma, índice de lajas y dureza. Los resultados obtenidos han puesto de manifiesto que, a pesar de que existen diferencias notables (sobre todo en cuanto a densidad y absorción con los áridos naturales, las características de los áridos hacen posible la fabricación de hormigones. 2. Ensayos sobre propiedades básicas de los hormigones: se establecen parámetros de dosificaci

  17. Aggregation and Averaging. (United States)

    Siegel, Irving H.

    The arithmetic processes of aggregation and averaging are basic to quantitative investigations of employment, unemployment, and related concepts. In explaining these concepts, this report stresses need for accuracy and consistency in measurements, and describes tools for analyzing alternative measures. (BH)

  18. Protein Colloidal Aggregation Project (United States)

    Oliva-Buisson, Yvette J. (Compiler)


    To investigate the pathways and kinetics of protein aggregation to allow accurate predictive modeling of the process and evaluation of potential inhibitors to prevalent diseases including cataract formation, chronic traumatic encephalopathy, Alzheimer's Disease, Parkinson's Disease and others.

  19. Cell aggregation and sedimentation. (United States)

    Davis, R H


    The aggregation of cells into clumps or flocs has been exploited for decades in such applications as biological wastewater treatment, beer brewing, antibiotic fermentation, and enhanced sedimentation to aid in cell recovery or retention. More recent research has included the use of cell aggregation and sedimentation to selectively separate subpopulations of cells. Potential biotechnological applications include overcoming contamination, maintaining plasmid-bearing cells in continuous fermentors, and selectively removing nonviable hybridoma cells from perfusion cultures.

  20. An alternative picture of alkali-metal-mediated metallation: cleave and capture chemistry. (United States)

    Mulvey, Robert E


    This perspective article takes an alternative look at alkali-metal-mediated chemistry (exchange of a relatively inert C-H bond for a more reactive C-metal bond by a multicomponent reagent usually containing an alkali metal and a less electropositive metal such as magnesium or zinc). It pictures that the cleavage of selected C-H bonds can be accompanied by the capturing of the generated anion by the multi (Lewis acid)-(Lewis base) character of the residue of the bimetallic base. In this way small atoms or molecules (hydrides, oxygen-based anions) as well as sensitive organic anions (of substituted aromatic compounds, ethers or alkenes) can be captured. Cleave and capture reactions which occur in special positions on the organic substrate are also included.

  1. Alkali ion migration between stacked glass plates by corona discharge treatment (United States)

    Kawaguchi, Keiga; Suzuki, Toshio; Ikeda, Hiroshi; Sakai, Daisuke; Funatsu, Shiro; Uraji, Keiichiro; Yamamoto, Kiyoshi; Harada, Kenji; Nishii, Junji


    Corona discharge reflects the spatial migration of alkali ions over a gap between two glass plates. This study examined stacked glass plates containing different alkali ions treated with the corona discharge plasma generated by applied voltage of 4.5 kV at 200 °C. Protons generated at the anode electrode penetrate into the potassium-ion-containing upper glass plate, which is located 5 mm below the anode electrode. Potassium ions intruded into the lower glass plate containing sodium ions placed on the cathode electrode, even over a 1 mm gap separating the plates. Finally, the sodium ion discharged on the cathode electrode. The hydrogen atmosphere was effective at inhibiting the potassium ion reaction with ambient gases during the spatial migration between the two glass plates.

  2. Electrochemistry of ytterbium (III) in molten alkali metal chlorides

    Energy Technology Data Exchange (ETDEWEB)

    Smolenski, V.; Novoselova, A. [Institute of High-Temperature Electrochemistry, Ural Division, Russian Academy of Science, Ekaterinburg, 620219 (Russian Federation); Osipenko, A. [Research Institute of Atomic Reactors, Dimitrovgrad-10, Ulyanovsk Region, 433010 (Russian Federation); Caravaca, C. [High Level Waste Unit, Nuclear Fission Division, CIEMAT, Madrid, 28040 (Spain); Cordoba, G. de [High Level Waste Unit, Nuclear Fission Division, CIEMAT, Madrid, 28040 (Spain)], E-mail:


    This work presents the electrochemical study of Yb(III) ions in molten alkali metal chlorides in the temperature range 723-1073 K. Transient electrochemical techniques such as linear sweep, cyclic and square wave voltammetry, and potentiometry at zero current have been used to investigate the reduction mechanism, transport parameters and thermodynamic properties of the reaction YbCl{sub 2} + 1/2Cl{sub 2} = YbCl{sub 3} The results obtained show that the reduction reaction Yb(III) + e{sup -} {r_reversible} Yb(II) is reversible being controlled by the rate of the mass transfer. The diffusion coefficient of [YbCl{sub 6}]{sup 3-} complex ions has been determined at different temperatures in the fused eutectic LiCl-KCl, the equimolar NaCl-KCl and the CsCl media. The apparent standard potential of the soluble-soluble redox system Yb(III)/Yb(II) has been obtained by cyclic voltammetry. The influence of the nature of the solvent on the electrochemical and thermodynamic properties of ytterbium compounds is discussed.

  3. Kinetic model for astaxanthin aggregation in water-methanol mixtures (United States)

    Giovannetti, Rita; Alibabaei, Leila; Pucciarelli, Filippo


    The aggregation of astaxanthin in hydrated methanol was kinetically studied in the temperature range from 10 °C to 50 °C, at different astaxanthin concentrations and solvent composition. A kinetic model for the formation and transformation of astaxanthin aggregated has been proposed. Spectrophotometric studies showed that monomeric astaxanthin decayed to H-aggregates that after-wards formed J-aggregates when water content was 50% and the temperature lower than 20 °C; at higher temperatures, very stable J-aggregates were formed directly. Monomer formed very stable H-aggregates when the water content was greater than 60%; in these conditions H-aggregates decayed into J-aggregates only when the temperature was at least 50 °C. Through these findings it was possible to establish that the aggregation reactions took place through a two steps consecutive reaction with first order kinetic constants and that the values of these depended on the solvent composition and temperature.

  4. Methods of use of calcium hexa aluminate refractory linings and/or chemical barriers in high alkali or alkaline environments (United States)

    McGowan, Kenneth A; Cullen, Robert M; Keiser, James R; Hemrick, James G; Meisner, Roberta A


    A method for improving the insulating character/and or penetration resistance of a liner in contact with at least one of an alkali and/or alkaline environments is provided. The method comprises lining a surface that is subject to wear by an alkali environment and/or an alkaline environment with a refractory composition comprising a refractory aggregate consisting essentially of a calcium hexa aluminate clinker having the formula CA.sub.6, wherein C is equal to calcium oxide, wherein A is equal to aluminum oxide, and wherein the hexa aluminate clinker has from zero to less than about fifty weight percent C.sub.12A.sub.7, and wherein greater than 98 weight percent of the calcium hexa aluminate clinker having a particle size ranging from -20 microns to +3 millimeters, for forming a liner of the surface. This method improves the insulating character/and or penetration resistance of the liner.


    Energy Technology Data Exchange (ETDEWEB)

    Hemrick, James Gordon [ORNL; Smith, Jeffrey D [ORNL; O' Hara, Kelley [University of Missouri, Rolla; Rodrigues-Schroer, Angela [Minteq International, Inc.; Colavito, [Minteq International, Inc.


    A project was led by Oak Ridge National Laboratory (ORNL) in collaboration with a research team comprised of the academic institution Missouri University of Science and Technology (MS&T), and the industrial company MINTEQ International, Inc. (MINTEQ), along with representatives from the aluminum, chemical, glass, and forest products industries. The project was to address the need for new innovative refractory compositions by developing a family of novel MgO-Al 2O3, MgAl2O4, or other similar spinel structured or alumina-based unshaped refractory compositions (castables, gunnables, shotcretes, etc.) utilizing new aggregate materials, bond systems, protective coatings, and phase formation techniques (in-situ phase formation, altered conversion temperatures, accelerated reactions, etc). This family of refractory compositions would then be tailored for use in high-temperature, high-alkaline industrial environments like those found in the aluminum, chemical, forest products, glass, and steel industries. Both practical refractory development experience and computer modeling techniques were used to aid in the design of this new family of materials. The newly developed materials were expected to offer alternative material choices for high-temperature, high-alkali environments that were capable of operating at higher temperatures (goal of increasing operating temperature by 100-200oC depending on process) or for longer periods of time (goal of twice the life span of current materials or next process determined service increment). This would lead to less process down time, greater energy efficiency for associated manufacturing processes (more heat kept in process), and materials that could be installed/repaired in a more efficient manner. The overall project goal was a 5% improvement in energy efficiency (brought about through a 20% improvement in thermal efficiency) resulting in a savings of 3.7 TBtu/yr (7.2 billion ft3 natural gas) by the year 2030. Additionally, new

  6. Optical dynamics of molecular aggregates

    NARCIS (Netherlands)

    de Boer, Steven


    The subject of this thesis is the spectroscopy and dynamics of molecular aggregates in amorphous matrices. Aggregates of three different molecules were studied. The molecules are depicted in Fig. (1.1). Supersaturated solutions of these molecules show aggregate formation. Aggregation is a process si

  7. Geopolymerization of lightweight aggregate waste

    Directory of Open Access Journals (Sweden)

    Labrincha, J. A.


    Full Text Available Geopolymerization is a viable way to process and re-use alumino-silicate industrial waste while producing highstrength, high chemical inertia materials that can effectively immobilize other industrial by-products, and even hazardous waste. In this study industrial waste from different stages of the manufacture of lightweight expanded clay aggregate was characterized for its possible transformation, via alkali activation, to geopolymers. The ultimate aim was to assess the possibility of using such geopolymers to develop thermal and acoustic insulation panels. The containment of hazardous materials is another important application for these new materials. Geopolymers were prepared for this study with different particles size distributions and activator concentrations. Their mechanical properties, composition and microstructure were characterized and a material with promising insulating properties was produced. A preliminary analysis was conducted of the salt formation observed in these geopolymers, the chief drawback to their use.La geopolimerización es una manera viable para procesar y agregar valor a los residuos industriales de alumino-silicato dando lugar a materiales con elevadas resistencias mecánmicas, alta inercia química y que permiten encapsular otros residuos, incluso peligrosos. Los residuos industriales que proceden de diversos tipos de arcillas para la fabricación de áridos ligeros se han caracterizado para la producción de geopolímeros mediante el proceso de ataque alcalino. Su incorporación en una matriz geopolimérica permite la posibilidad de desarrollo de paneles de aislamiento (térmico y acústico. Además, la inmovilización de materiales peligrosos es un logro adicional importante. Los geopolímeros se han producido con fórmulas diferentes y se han caracterizado sus propiedades mecánicas, composición y microestructura, para dar lugar a una composición interesante con propiedades aislantes. Se ha llevado a cabo

  8. Morphological classification of nanoceramic aggregates (United States)

    Crosta, Giovanni F.; Kang, Bongwoo; Ospina, Carolina; Sung, Changmo


    Aluminum silicate nanoaggregates grown at near-room temperature on an organic template under a variety of experimental conditions have been imaged by transmission electron microscopy. Images have been automatically classified by an algorithm based on "spectrum enhancement", multivariate statistics and supervised optimization. Spectrum enhancement consists of subtracting, in the log scale, a known function of wavenumber from the angle averaged power spectral density of the image. Enhanced spectra of each image, after polynomial interpolation, have been regarded as morphological descriptors and as such submitted to principal components analysis nested with a multiobjective parameter optimization algorithm. The latter has maximized pairwise discrimination between classes of materials. The role of the organic template and of a reaction parameter on aggregate morphology has been assessed at two magnification scales. Classification results have also been related to crystal structure data derived from selected area electron diffraction patterns.

  9. High-Order Dispersion Coefficients for Alkali-metal Atoms

    Institute of Scientific and Technical Information of China (English)

    KANG Shuai; DING Chi-Kun; CHEN Chang-Yong; WU Xue-Qing


    High-order dispersion coefficients C9,C11,C12,and C13 for the ground-state alkali-metals were calculated by combining the l-dependent model potential of alkali-metal atoms and linear variation method based on B-spline basis functions.The results were compared.

  10. Durability of Alkali Activated Blast Furnace Slag (United States)

    Ellis, K.; Alharbi, N.; Matheu, P. S.; Varela, B.; Hailstone, R.


    The alkali activation of blast furnace slag has the potential to reduce the environmental impact of cementitious materials and to be applied in geographic zones where weather is a factor that negatively affects performance of materials based on Ordinary Portland Cement. The scientific literature provides many examples of alkali activated slag with high compressive strengths; however research into the durability and resistance to aggressive environments is still necessary for applications in harsh weather conditions. In this study two design mixes of blast furnace slag with mine tailings were activated with a potassium based solution. The design mixes were characterized by scanning electron microscopy, BET analysis and compressive strength testing. Freeze-thaw testing up to 100 freeze-thaw cycles was performed in 10% road salt solution. Our findings included compressive strength of up to 100 MPa after 28 days of curing and 120 MPa after freeze-thaw testing. The relationship between pore size, compressive strength, and compressive strength after freeze-thaw was explored.

  11. Laser Spectroscopy of bi-alkali molecules (United States)

    Dutta, Sourav; Altaf, A.; Lorenz, J.; Elliott, D.; Chen, Yong


    We report a study of laser spectroscopy of bi-alkali molecules, such as Li2, Rb2 and LiRb (work is in progress). We have constructed a dual-species (Li/Rb) heat pipe oven with a side viewport. The molecular fluorescence is excited by a dye laser with Rh6G dye (operating between 564 nm and 610 nm) and various home-made diode lasers (operating near 635 nm and 665 nm). The fluorescence is recorded using a .5ex1 -.1em/ -.15em.25ex4 m monochromator with a 0.1 nm (˜ 3 cm-1) spectral resolution. Transitions to the X^1σg^+ in Li2 and Rb2 have been measured and studies on LiRb are in progress. Molecular parameters, such as force constant, may be obtained from the analysis of the data (which agree with previously known values to within ˜ 3%). Using the known values of dissociation energy De and harmonic frequency φe for the alkali dimers, we also demonstrate that simple calculations with Morse potential approximation can be used to estimate the molecular transition wavelengths to within a few (1-3) nanometers from the experimentally measured values. Such information will aid in creating cold molecules via photoassociation in a dual species magneto-optical trap (LiRb in our case).

  12. Fractals of Silica Aggregates

    Institute of Scientific and Technical Information of China (English)

    ZhinhongLi; DongWu; Yuhansun; JunWang; YiLiu; BaozhongDong; Zhinhong


    Silica aggregates were prepared by base-catalyzed hydrolysis and condensation of alkoxides in alcohol.Polyethylene glycol(PEG) was used as organic modifier.The sols were characterized using Small Angle X-ray Scattering (SAXS) with synchrotron radiation as X-ray source.The structure evolution during the sol-gel process was determined and described in terms of the fractal geometry.As-produced silica aggregates were found to be mass fractals.The fractl dimensions spanned the regime 2.1-2.6 corresponding to more branched and compact structures.Both RLCA and Eden models dominated the kinetic growth under base-catalyzed condition.

  13. Sustainable High Quality Recycling of Aggregates from Waste-to-Energy, Treated in a Wet Bottom Ash Processing Installation, for Use in Concrete Products

    Directory of Open Access Journals (Sweden)

    Philip Van den Heede


    Full Text Available Nowadays, more efforts towards sustainability are required from the concrete industry. Replacing traditional aggregates by recycled bottom ash (BA from municipal solid waste incineration can contribute to this goal. Until now, only partial replacement has been considered to keep the concrete workability, strength and durability under control. In this research, the feasibility of a full aggregate replacement was investigated for producing prefabricated Lego bricks. It was found that the required compressive strength class for this purpose (C20/25 could be achieved. Nevertheless, a thorough understanding of the BA properties is needed to overcome other issues. As BA is highly absorptive, the concrete’s water demand is high. This workability issue can be dealt with by subjecting the fine BA fraction to a crushing operation to eliminate the porous elements and by pre-wetting the fine and coarse BA fractions in a controlled manner. In addition, a reactive NaOH washing is needed to avoid formation of longitudinal voids and the resulting expansion due to the metallic aluminum present in the BA. Regarding the long-term behavior, heavy metal leaching and freeze-thaw exposure are not problematic, though there is susceptibility to acetic and lactic acid attack and maybe increased sensitivity to alkali-silica reaction.

  14. Assessment of Pb-slag, MSWI bottom ash and boiler and fly ash for using as a fine aggregate in cement mortar. (United States)

    Saikia, Nabajyoti; Cornelis, Geert; Mertens, Gilles; Elsen, Jan; Van Balen, Koenraad; Van Gerven, Tom; Vandecasteele, Carlo


    Three types of wastes, metallurgical slag from Pb production (SLG), the sand-sized (0.1-2 mm) fraction of MSWI bottom ash from a grate furnace (SF), and boiler and fly ash from a fluidised bed incinerator (BFA), were characterized and used to replace the fine aggregate during preparation of cement mortar. The chemical and mineralogical behaviour of these wastes along with the reactivities of the wastes with lime and the hydration behaviour of ordinary Portland cement paste with and without these wastes added were evaluated by various chemical and instrumental techniques. The compressive strengths of the cement mortars containing waste as a partial substitution of fine aggregates were also assessed. Finally, leaching studies of the wastes and waste containing cement mortars were conducted. SLG addition does not show any adverse affect during the hydration of cement, or on the compressive strengths behaviours of mortars. Formation of expansive products like ettringite, aluminium hydroxide and H2 gas due to the reaction of some constituents of BFA and SF with alkali creates some cracks in the paste as well as in the cement mortars, which lower the compressive strength of the cement mortars. However, utilization of all materials in cement-based application significantly improves the leaching behaviour of the majority of the toxic elements compared to the waste as such.

  15. IRMPD Action Spectroscopy of Alkali Metal Cation-Cytosine Complexes: Effects of Alkali Metal Cation Size on Gas Phase Conformation

    NARCIS (Netherlands)

    Yang, B.; Wu, R.R.; Polfer, N.C.; Berden, G.; Oomens, J.; Rodgers, M.T.


    The gas-phase structures of alkali metal cation-cytosine complexes generated by electrospray ionization are probed via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical calculations. IRMPD action spectra of five alkali metal cation-cytosine complexes exhibit both simi

  16. Effect of alkali cations on heterogeneous photo-Fenton process mediated by Prussian blue colloids. (United States)

    Liu, Shou-Qing; Cheng, Shi; Feng, Lian-Rong; Wang, Xiao-Mei; Chen, Zhi-Gang


    This article evaluates Prussian blue (iron hexacyanoferrate) colloids as a heterogeneous photo-Fenton catalyst for the degradation of Rhodamine B. The emphasis is laid on the effects of alkali metal cations on the photo-Fenton process. The facts show that alkali cations strongly affect the degradation rate of organic species. The degradation rates of Rhodamine B, Malachite Green, and Methyl Orange in the presence of KCl, KNO(3), and K(2)SO(4), respectively, are faster than their degradation rates in the presence of the corresponding sodium salts. The average degradation rates of Rhodamine B in 0.2 M KCl, NaCl, RbCl, and CsCl solution, decline in sequence, and the rate in KCl solution is greater than that without any salt added deliberately. Thus, potassium ions accelerate the degradation rate, but sodium, rubidium, and cesium ions slow the rate. The order of the rates is R(K)>R>R(Na)>R(Rb)>R(Cs), which is consistent with that of the voltammetric oxidation currents of Prussian blue in the corresponding cation solutions. This phenomenon is attributed to the molecular recognition of the microstructure in Prussian blue nanoparticles to the alkali cations. The reaction mechanism of the photo-Fenton process has also been explored.

  17. Ab Initio Molecular Dynamics of Dimerization and Clustering in Alkali Metal Vapors. (United States)

    Chaban, Vitaly V; Prezhdo, Oleg V


    Alkali metals are known to form dimers, trimers, and tetramers in their vapors. The mechanism and regularities of this phenomenon characterize the chemical behavior of the first group elements. We report ab initio molecular dynamics (AIMD) simulations of the alkali metal vapors and characterize their structural properties, including radial distribution functions and atomic cluster size distributions. AIMD confirms formation of Men, where n ranges from 2 to 4. High pressure sharply favors larger structures, whereas high temperature decreases their fraction. Heavier alkali metals maintain somewhat larger fractions of Me2, Me3, and Me4, relative to isolated atoms. A single atom is the most frequently observed structure in vapors, irrespective of the element and temperature. Due to technical difficulties of working with high temperatures and pressures in experiments, AIMD is the most affordable method of research. It provides valuable understanding of the chemical behavior of Li, Na, K, Rb, and Cs, which can lead to development of new chemical reactions involving these metals.

  18. Strength and durability performance of alkali-activated rice husk ash geopolymer mortar. (United States)

    Kim, Yun Yong; Lee, Byung-Jae; Saraswathy, Velu; Kwon, Seung-Jun


    This paper describes the experimental investigation carried out to develop the geopolymer concrete based on alkali-activated rice husk ash (RHA) by sodium hydroxide with sodium silicate. Effect on method of curing and concentration of NaOH on compressive strength as well as the optimum mix proportion of geopolymer mortar was investigated. It is possible to achieve compressive strengths of 31 N/mm(2) and 45 N/mm(2), respectively for the 10 M alkali-activated geopolymer mortar after 7 and 28 days of casting when cured for 24 hours at 60°C. Results indicated that the increase in curing period and concentration of alkali activator increased the compressive strength. Durability studies were carried out in acid and sulfate media such as H2SO4, HCl, Na2SO4, and MgSO4 environments and found that geopolymer concrete showed very less weight loss when compared to steam-cured mortar specimens. In addition, fluorescent optical microscopy and X-ray diffraction (XRD) studies have shown the formation of new peaks and enhanced the polymerization reaction which is responsible for strength development and hence RHA has great potential as a substitute for ordinary Portland cement concrete.

  19. Recovery of alkali and alumina from Bayer red mud by the calcification-carbonation method (United States)

    Zhu, Xiao-feng; Zhang, Ting-an; Wang, Yan-xiu; Lü, Guo-zhi; Zhang, Wei-guang


    Red mud produced in the Bayer process is a hazardous solid waste because of its high alkalinity; however, it is rich in valuable components such as titanium, iron, and aluminum. In this study, a novel calcification-carbonation method was developed to recover alkali and alumina from Bayer red mud under mild reaction conditions. Batch experiments were performed to evaluate the potential effects of important parameters such as temperature, amount of CaO added, and CO2 partial pressure on the recovery of alkali and alumina. The results showed that 95.2% alkali and 75.0% alumina were recovered from red mud with decreases in the mass ratios of Na2O to Fe2O3 and of Al2O3 to Fe2O3 from 0.42 and 0.89 to 0.02 and 0.22, respectively. The processed red mud with less than 0.5wt% Na2O can potentially be used as a construction material.

  20. Alkali ion migration between stacked glass plates by corona discharge treatment

    Energy Technology Data Exchange (ETDEWEB)

    Kawaguchi, Keiga [Research Institute for Electronic Science, Hokkaido University, N20 W10, Kita-ku, Sapporo, Hokkaido 001-0020 (Japan); Suzuki, Toshio [Research Center, Asahi Glass Co., Ltd., 1150 Hazawa-cho, Kanagawa-ku, Yokohama, Kanagawa 221-8755 (Japan); Ikeda, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Sakai, Daisuke [Department of Electrical and Electronic Engineering, Kitami Institute of Technology, 165 Koen-cho, Kitami, Hokkaido 090-8507 (Japan); Funatsu, Shiro; Uraji, Keiichiro [Production Technology Center, Asahi Glass Co., Ltd., 1-1 Suehiro-cyo, Tsurumiku, Yokohama, Kanagawa 230-0045 (Japan); Yamamoto, Kiyoshi [Research Center, Asahi Glass Co., Ltd., 1150 Hazawa-cho, Kanagawa-ku, Yokohama, Kanagawa 221-8755 (Japan); Harada, Kenji [Department of Computer Science, Kitami Institute of Technology, 165 Koen-cho, Kitami, Hokkaido 090-8507 (Japan); Nishii, Junji, E-mail: [Research Institute for Electronic Science, Hokkaido University, N20 W10, Kita-ku, Sapporo, Hokkaido 001-0020 (Japan)


    Highlights: • Two stacked glass plates with a 1 mm gap were treated by corona discharge. • Spatial migration of alkali ion over the gap was demonstrated. • Hydrogen gas was necessary for uniform migration. • Surface modification was done with this process without high temperature or vacuum. - Abstract: Corona discharge reflects the spatial migration of alkali ions over a gap between two glass plates. This study examined stacked glass plates containing different alkali ions treated with the corona discharge plasma generated by applied voltage of 4.5 kV at 200 °C. Protons generated at the anode electrode penetrate into the potassium-ion-containing upper glass plate, which is located 5 mm below the anode electrode. Potassium ions intruded into the lower glass plate containing sodium ions placed on the cathode electrode, even over a 1 mm gap separating the plates. Finally, the sodium ion discharged on the cathode electrode. The hydrogen atmosphere was effective at inhibiting the potassium ion reaction with ambient gases during the spatial migration between the two glass plates.

  1. Influence of alkali promoters in the selective hydrogenation of 3-methyl-2-butenal over Ru/SiO{sub 2} catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Waghray, A.; Wang, Jian; Oukaci, R.; Blackmond, D.G. [Univ. of Pittsburgh, PA (United States)


    The addition of potassium as a promoter to a Ru/SiO{sub 2} catalyst resulted in a striking shift in product selectivity in the hydrogenation of 3-methyl-2-butenal. The rate of hydrogenation of the C=O bond to produce the unsaturated alcohol increased concomitant with a decrease in the rate of C=C hydrogenation. IR spectroscopy showed a strong perturbation of the C=O bond for the alkali-promoted catalyst, and volumetric chemisorption and TPD results suggested that the alkali species blocked adsorption at low-coordination Ru sites. These adsorption and reaction studies suggest that polarization of the adsorbed substrate at the C=O bond is responsible for the significant shift in product selectivity upon alkali promotion. This work combines spectroscopic tools with the use of the catalytic reaction itself as a probe of catalyst surface chemistry. 40 refs., 6 figs., 3 tabs.

  2. Erosion of dust aggregates

    CERN Document Server

    Seizinger, Alexander; Kley, Wilhelm


    Aims: The aim of this work is to gain a deeper insight into how much different aggregate types are affected by erosion. Especially, it is important to study the influence of the velocity of the impacting projectiles. We also want to provide models for dust growth in protoplanetary disks with simple recipes to account for erosion effects. Methods: To study the erosion of dust aggregates we employed a molecular dynamics approach that features a detailed micro-physical model of the interaction of spherical grains. For the first time, the model has been extended by introducing a new visco-elastic damping force which requires a proper calibration. Afterwards, different sample generation methods were used to cover a wide range of aggregate types. Results: The visco-elastic damping force introduced in this work turns out to be crucial to reproduce results obtained from laboratory experiments. After proper calibration, we find that erosion occurs for impact velocities of 5 m/s and above. Though fractal aggregates as ...

  3. Diffusion in aggregated soil.

    NARCIS (Netherlands)

    Rappoldt, C.


    The structure of an aggregated soil is characterized by the distribution of the distance from an arbitrary point in the soil to the nearest macropore or crack. From this distribution an equivalent model system is derived to which a diffusion model can be more easily applied. The model system consist

  4. Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Tanghong; Chen, Wei; Cheng, Lei; Bayliss, Ryan D.; Lin, Feng; Plews, Michael R.; Nordlund, Dennis; Doeff, Marca M.; Persson, Kristin A.; Cabana, Jordi


    Reversible intercalation reactions provide the basis for modern battery electrodes. Despite decades of exploration of electrode materials, the potential for materials in the nonoxide chemical space with regards to intercalation chemistry is vast and rather untested. Transition metal fluorides stand out as an obvious target. To this end, we report herein a new family of iron fluoride-based perovskite cathode materials AxK1–xFeF3 (A = Li, Na). By starting with KFeF3, approximately 75% of K+ ions were subsequently replaced by Li+ and Na+ through electrochemical means. X-ray diffraction and Fe X-ray absorption spectroscopy confirmed the existence of intercalation of alkali metal ions in the perovskite structure, which is associated with the Fe2+/3+ redox couple. A computational study by density functional theory showed agreement with the structural and electrochemical data obtained experimentally, which suggested the possibility of fluoride-based materials as potential intercalation electrodes. This study increases our understanding of the intercalation chemistry of ternary fluorides, which could inform efforts toward the exploration of new electrode materials.

  5. Hydride encapsulation by molecular alkali-metal clusters. (United States)

    Haywood, Joanna; Wheatley, Andrew E H


    The sequential treatment of group 12 and 13 Lewis acids with alkali-metal organometallics is well established to yield so-called ''ate' complexes, whereby the Lewis-acid metal undergoes nucleophilic attack to give an anion, at least one group 1 metal acting to counter this charge. However, an alternative, less well recognised, reaction pathway involves the Lewis acid abstracting hydride from the organolithium reagent via a beta-elimination mechanism. It has recently been shown that in the presence of N,N'-bidentate ligands this chemistry can be harnessed to yield a new type of molecular main-group metal cluster in which the abstracted LiH is effectively trapped, with the hydride ion occupying an interstitial site in the cluster core. Discussion focuses on the development of this field, detailing advances in our understanding of the roles of Lewis acid, organolithium, and amine substrates in the syntheses of these compounds. Structure-types are discussed, as are efforts to manipulate cluster geometry and composition as well as hydride-coordination. Embryonic mechanistic studies are reported, as well as attempts to generate hydride-encapsulation clusters under catalytic control.

  6. Thermoluminescence of alkali halides and its implications

    Energy Technology Data Exchange (ETDEWEB)

    Gartia, R.K., E-mail: [Physics Department, Manipur University, Imphal 795003 (India); Rey, L. [Aerial-CRT-parc d' Innovation, B.P. 40443, F-67412 Illkirch Cedex (France); Tejkumar Singh, Th. [Physics Department, Manipur University, Imphal 795003 (India); Basanta Singh, Th. [Luminescence Dating Laboratory, Manipur University, Imphal 795003 (India)


    Trapping levels present in some alkali halides namely NaCl, KCl, KBr, and KI are determined by deconvolution of the thermoluminescence (TL) curves. Unlike most of the studies undertaken over the last few decades, we have presented a comprehensive picture of the phenomenon of TL as an analytical technique capable of revealing the position of the trapping levels present in the materials. We show that for all practical purposes, TL can be described involving only the three key trapping parameters, namely, the activation energy (E), the frequency factor (s), and the order of kinetics (b) even for complex glow curves having a number of TL peaks. Finally, based on these, we logically infer the importance of TL in development and characterization of materials used in dosimetry, dating and scintillation.

  7. Controlled in-situ dissolution of an alkali metal

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Jeffrey Donald; Dooley, Kirk John; Tolman, David Donald


    A method for the controllable dissolution of one or more alkali metals from a vessel containing a one or more alkali metals and/or one or more partially passivated alkali metals. The vessel preferably comprising a sodium, NaK or other alkali metal-cooled nuclear reactor that has been used. The alkali metal, preferably sodium, potassium or a combination thereof, in the vessel is exposed to a treatment liquid, preferably an acidic liquid, more preferably citric acid. Preferably, the treatment liquid is maintained in continuous motion relative to any surface of unreacted alkali metal with which the treatment liquid is in contact. The treatment liquid is preferably pumped into the vessel containing the one or more alkali metals and the resulting fluid is extracted and optionally further processed. Preferably, the resulting off-gases are processed by an off-gas treatment system and the resulting liquids are processed by a liquid disposal system. In one preferred embodiment, an inert gas is pumped into the vessel along with the treatment liquid.

  8. Mistletoe alkali inhibits peroxidation in rat liver and kidney

    Institute of Scientific and Technical Information of China (English)

    Zheng-Ming Shi; Ping Feng; Dong-Qiao Jiang; Xue-Jiang Wang


    AIM: To explore the antioxidant and free radical scavenger properties of mistletoe alkali (MA).METHODS: The antioxidant effect of mistletoe alkali on the oxidative stress induced by carbon tetrachloride (CCl4) in rats was investigated. The rats were divided into four groups (n = 8): CCl4-treated group (1 mL/kg body weight), MA -treated group (90 mg/kg), CCl4+MA-treated group and normal control group. After 4 wk of treatment,the level of malondialdehyde (MDA), a lipid peroxidation product (LPO) was measured in serum and homogenates of liver and kidney. Also, the level of glutathione (GSH),and activities of glutathione reductase (GR), glutathione peroxidase (GSPx), superoxide dismutase (SOD), and glutathione-S-transferase (GST) in liver and kidney were determined. Scavenging effects on hydroxyl free radicals produced in vitro by Fenton reaction were studied by ESR methods using 5,5-dimethyl-1-pyrroline-N-oxidesource. Urinary 8-hydroxydeoxyguanosine (8-OHdG) was determined by competitive ELISA.RESULTS: In CCl4-treated group, the level of LPO in serum of liver and kidney was significantly increased compared to controls. The levels of GSH and enzyme activities of SOD, GSPx and GR in liver and kidney were significantly decreased in comparison with controls. In CCl4+MA-treated group, the changes in the levels of LPO in serum of liver and kidney were not statistically significant compared to controls. The levels of SOD, GSPx and GR in liver and kidney were significantly increased in comparison with controls. There was a significant difference in urinary excretion of 8-OHdG between the CCl4-treated and MA-treated groups.CONCLUSION: Oxidative stress may be a major mechanism for the toxicity of CCl4. MA has a protective www.wjgnet.comeffect against CCl4 toxicity by inhibiting the oxidative damage and stimulating GST activities. Thus, clinical application of MA should be considered in cases with carbon tetrachloride-induced injury.

  9. Alkali-activated concrete with Serbian fly ash and its radiological impact. (United States)

    Nuccetelli, Cristina; Trevisi, Rosabianca; Ignjatović, Ivan; Dragaš, Jelena


    The present paper reports the results of a study on different types of fly ash from Serbian coal burning power plants and their potential use as a binder in alkali-activated concrete (AAC) depending on their radiological and mechanical properties. Five AAC mixtures with different types of coal burning fly ash and one type of blast furnace slag were designed. Measurements of the activity concentrations of (40)K, (226)Ra and (232)Th were done both on concrete constituents (fly ash, blast furnace slag and aggregate) and on the five solid AAC samples. Experimental results were compared by using the activity concentration assessment tool for building materials - the activity concentration index I, as introduced by the EU Basic Safety Standards (CE, 2014). All five designed alkali-activated concretes comply with EU BSS screening requirements for indoor building materials. Finally, index I values were compared with the results of the application of a more accurate index - I(ρd), which accounts for thickness and density of building materials (Nuccetelli et al., 2015a). Considering the actual density and thickness of each concrete sample index - I(ρd) values are lower than index I values. As an appendix, a synthesis of main results concerning mechanical and chemical properties is provided.

  10. Extraction of Alkali Ions Investigated by Conductometric and pH Measurements

    Directory of Open Access Journals (Sweden)

    L. Kalvoda


    Full Text Available Extraction of alkali ions from aqueous solutions of chlorides and hydroxides into a lipophilic liquid membrane composed of tetraethyl p-tert-butylcalix[4]arene tetraacetate (TBT solution in hexane was investigated by means of measurements of changes in the electrolytic conductivity and pH-value of the aqueous solution. Hydrolysis of the TBT ionophore resulting in the release of the ethyl groups was proposed as the main reaction process, leading to disturbance of the known preference of TBT for sodium ions. 

  11. Highly dispersed iron species created on alkali-treated zeolite for ammonia SCR

    Institute of Scientific and Technical Information of China (English)

    Jing Ma; Duan Weng; Xiaodong Wu; Zhichun Si; Zhenwei Wu


    Alkaline treatment using sodium hydroxide was introduced to obtain a hierarchical pore structure in H-ZSM-5 zeolite. Fe-exchanged zeolite catalysts were prepared by impregnation on the original and alkali-treated zeolites, and were evaluated for NOx reduction by NH3, NO oxidation, and NH3 oxidation reactions. The highly dispersed iron species as active sites can be obtained by controlling the pore structure and particle size of zeolite. Therefore, the Fe/ZSM-5 catalyst treated mildly by sodium hydroxide before iron exchange, which contains amounts of highly dispersed Fe species, obtains over 80% NOx conversion at a wide temperature range of 250-500 1C.

  12. Alkali-metal electron spin density shift induced by a helium nanodroplet (United States)

    Koch, Markus; Callegari, Carlo; Ernst, Wolfgang E.


    Helium (He) nanodroplets provide a cold and virtually unperturbing environment for the study of weakly bound molecules and van der Waals aggregates. High resolution microwave spectroscopy and the detection of electron spin transitions in doped He droplets have recently become possible. Measurements of hyperfine-resolved electron spin resonance in potassium (39K) and rubidium (85Rb) atoms on the surface of He droplets show small line shifts relative to the bare atoms. These shifts were recorded for all 2I + 1 components (I is the nuclear spin) of a transition at high accuracy for He droplets ranging in size from 1000 to 15,000 He atoms. Evaluation of the spectra yields the influence of the He environment on the electron spin density at the alkali-metal nucleus. A semi-empirical model is presented that shows good qualitative agreement with the measured droplet size dependent increase of Fermi contact interaction at the nuclei of dopant K and Rb.

  13. The influence of nickel slag aggregate concentration to compressive and flexural strength on fly ash-based geopolymer composite (United States)

    Sujiono, E. H.; Setiawan, A.; Husain, H.; Irhamsyah, A.; Samnur, S.; Subaer, S.


    Fly ash-based geopolymer with nickel slag aggregate has been successfully produced. Fly ash and nickel slag were obtained from Bosowa Jeneponto Power Plant and PT. Vale Indonesia, respectively. This research aims to investigate the influence of nickel slag concentration to compressive strength, flexural strength, and microstructure of geopolymer composite. The increment of nickel slag aggregate on fly ash was relative to the weight of samples. Geopolymer composite were synthesized by using alkali activated method, cured at temperature of 70 °C for 1 hour. The resulting composites were left at room temperature for 14 days, before compressive and flexural strength were performed. The results showed that the addition of nickel slag aggregate was found to increase the compressive strength of the material. The optimum compressive strength was 14.81 MPa with the addition of 10% aggregate. The optimum flexural strength was 2.63 MPa with the addition of 15% aggregate.

  14. A contribution to the surface characterization of alkali metal sulfates

    Energy Technology Data Exchange (ETDEWEB)

    Fantauzzi, Marzia; Rigoldi, Americo; Elsener, Bernhard; Atzei, Davide; Rossi, Antonella, E-mail:


    Highlights: • Full electronic characterization of alkali metals sulfates by X-ray photoelectron spectroscopy and X-ray induced Auger electron spectroscopy. • Curve-fitting of SKLL signals makes possible to clarify the role of the cation in the series of alkali metal sulfates. • Differences in the binding energies and Auger parameter are discussed in terms of the electronic properties and the polarizability of the cation. • The line intensities are analyzed and a thorough quantitative analysis is presented. - Abstract: The analytical characterization of surfaces of sulfur-bearing samples that present sulfides, polysulfides and/or elemental sulfur as reaction products can be difficult by simply relying on the binding energy of the S2p X-ray photoelectron signals, due to the small chemical shifts. In such cases the Auger parameter concept can be used to distinguish among different chemical states, but this requires a model to curve fit complex Auger SKLL signals in order to resolve the contributions arising from sulfur in different chemical states on the surface. With this scope a detailed X-ray photoelectron spectroscopy (XPS) and X-ray induced Auger electron spectroscopy (XAES) surface analytical study of the group IA sulfates is presented in this paper. Sulfates were chosen as model compounds for curve fitting the X-ray induced SKLL spectra since in these compounds sulfur is present in a unique chemical state. For the first time the multicomponent SKLL spectra are fitted with model functions consisting of an intense {sup 1}D and a low intensity {sup 1}S contribution with constant energy difference of 8 eV. It was found that the kinetic energy of the SK{sub 2,3}L{sub 2,3} ({sup 1}D) line increases from 2105.1 ± 0.1 to 2107.5 ± 0.2 eV whereas the corresponding S2p{sub 3/2} binding energy decreases from 169.5 ± 0.1 eV for Li{sub 2}SO{sub 4} to 167.8 ± 0.1 eV for Cs{sub 2}SO{sub 4}. Shifts to lower binding energy values are observed also for S2p, S2s and O1

  15. Pi resonance of chemisorbed alkali atoms on noble metals. (United States)

    Borisov, A G; Sametoglu, V; Winkelmann, A; Kubo, A; Pontius, N; Zhao, J; Silkin, V M; Gauyacq, J P; Chulkov, E V; Echenique, P M; Petek, H


    We have performed a joint experimental and theoretical study of the unoccupied electronic structure of alkali adsorbates on the (111) surfaces of Cu and Ag. Combining angle- and time-resolved two-photon photoemission spectroscopy with wave packet propagation calculations we show that, along with the well known sigma resonance oriented along the surface normal, there exist long-lived alkali-localized resonances oriented parallel to the surface (pi symmetry). These new resonances are stabilized by the projected band gap of the substrate and emerge primarily from the mixing of the p and d Rydberg orbitals of the free alkali atom modified by the interaction with the surface.

  16. Important role of alkali atoms in A4C60


    Gunnarsson, O.; Erwin, S. C.; Koch, E.; Martin, R. M.


    We show that hopping via the alkali atoms plays an important role for the t1u band of A4C60 (A=K, Rb), in strong contrast to A3C60. Thus the t1u band is broadened by more than 40 % by the presence of the alkali atoms. The difference between A4C60 and A3C60 is in particular due to the less symmetric location of the alkali atoms in A4C60.

  17. Microwave assisted alkali-catalyzed transesterification of Pongamia pinnata seed oil for biodiesel production. (United States)

    Kumar, Ritesh; Kumar, G Ravi; Chandrashekar, N


    In this study, microwave assisted transesterification of Pongamia pinnata seed oil was carried out for the production of biodiesel. The experiments were carried out using methanol and two alkali catalysts i.e., sodium hydroxide (NaOH) and potassium hydroxide (KOH). The experiments were carried out at 6:1 alcohol/oil molar ratio and 60°C reaction temperature. The effect of catalyst concentration and reaction time on the yield and quality of biodiesel was studied. The result of the study suggested that 0.5% sodium hydroxide and 1.0% potassium hydroxide catalyst concentration were optimum for biodiesel production from P. pinnata oil under microwave heating. There was a significant reduction in reaction time for microwave induced transesterification as compared to conventional heating.

  18. Kinetics of a Migration-Driven Aggregation-Fragmentation Process

    Institute of Scientific and Technical Information of China (English)

    ZHUANG You-Yi; LIN Zhen-Quan; KE Jian-Hong


    We propose a reversible model of the migration-driven aggregation-fragmentation process with the sym-metric migration rate kernels K(k;j) = K'(k;j) = λkjv and the constant aggregation rates I1, I2 and fragmentationrates J1, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions inseveral cases with different values of index v. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When J1 = 0 and J2 = 0, the aggregate sizedistributions ak(t) and bk(t) obey the conventional scaling law, while when J1 > 0 and J2 > 0, they obey the modifiedscaling law with an exponential scaling function. The total mass of either species remains conserved.

  19. Lithuanian Quarry Aggregates Concrete Effects of Alkaline Corrosion Tests

    Directory of Open Access Journals (Sweden)

    Aurimas Rutkauskas


    Full Text Available Aggregate alkaline corrosion of cement in concrete is going to respond in sodium and potassium hydroxide (lye with active SiO2 found in some aggregates. During this reaction, the concrete has resulted in significant internal stresses which cause deformation of the concrete, cracking and disintegration. The reaction is slow and concrete signs of decomposition appear only after a few months or years. The study used two different aggregates quarries. Studies show that Lithuania gravel contaminated with reactive particles having amorphous silicon dioxide reacting with cement in sodium and potassium hydroxide and the resulting alkaline concrete corrosion. It was found that, according to AAR 2 large aggregates include Group II – potentially reactive because of their expansion after 14 days, higher than 0.1%.

  20. Characterization of environmentally-friendly alkali activated slag cements and ancient building materials (United States)

    Sakulich, Aaron Richard

    Alternative cement technologies are an area of increasing interest due to growing environmental concerns and the relatively large carbon footprint of the cement industry. Many new cements have been developed, but one of the most promising is that made from granulated, ground blast furnace slag activated by a high-pH solution. Another is related to the discovery that some of the pyramid limestone blocks may have been cast using a combination of diatomaceous earth activated by lime which provides the high pH needed to dissolve the diatomaceous earth and bind the limestone aggregate together. The emphasis of this thesis is not on the latter---which was explored elsewhere---but on the results supplying further evidence that some of the pyramid blocks were indeed reconstituted limestone. The goal of this work is to chemically and mechanically characterize both alkali-activated slag cements as well as a number of historic materials, which may be ancient analogues to cement. Alkali activated slag cements were produced with a number of additives; concretes were made with the addition of a fine limestone aggregate. These materials were characterized mechanically and by XRD, FTIR, SEM, and TGA. Samples from several Egyptian pyramids, an 'ancient floor' in Colorado, and the 'Bosnian Pyramids' were investigated. In the cements, it has been unequivocally shown that C-S-H, the same binding phase that is produced in ordinary portland cement, has been produced, as well as a variety of mineral side products. Significant recarbonation occurs during the first 20 months, but only for the Na2CO3-activated formulae. Radiocarbon dating proves that the 'Bosnian Pyramids' and 'ancient floors' are not made from any type of recarbonated lime; however, Egyptian pyramid limestones were finite, thus suggesting that they are of a synthetic nature. XRD and FTIR results were inconclusive, while TGA results indicate the limestones are identical to naturally occurring limestones, and SEM

  1. Alkali activation of recovered fuel-biofuel fly ash from fluidised-bed combustion: Stabilisation/solidification of heavy metals. (United States)

    Yliniemi, Juho; Pesonen, Janne; Tiainen, Minna; Illikainen, Mirja


    Recovered fuel-biofuel fly ash from a fluidized bed boiler was alkali-activated and granulated with a sodium-silicate solution in order to immobilise the heavy metals it contains. The effect of blast-furnace slag and metakaolin as co-binders were studied. Leaching standard EN 12457-3 was applied to evaluate the immobilisation potential. The results showed that Ba, Pb and Zn were effectively immobilised. However, there was increased leaching after alkali activation for As, Cu, Mo, Sb and V. The co-binders had minimal or even negative effect on the immobilisation. One exception was found for Cr, in which the slag decreased leaching, and one was found for Cu, in which the slag increased leaching. A sequential leaching procedure was utilized to gain a deeper understanding of the immobilisation mechanism. By using a sequential leaching procedure it is possible fractionate elements into watersoluble, acid-soluble, easily-reduced and oxidisable fractions, yielding a total 'bioavailable' amount that is potentially hazardous for the environment. It was found that the total bioavailable amount was lower following alkali activation for all heavy metals, although the water-soluble fraction was higher for some metals. Evidence from leaching tests suggests the immobilisation mechanism was chemical retention, or trapping inside the alkali activation reaction products, rather than physical retention, adsorption or precipitation as hydroxides.

  2. Synthesis and exchange properties of sulfonated poly(phenylene sulfide) with alkali metal ions in organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Son, Won Keun [Chungnam National Univ., Taejon (Korea, Republic of); Kim, Sang Hern [Taejon National Univ., Taejon (Korea, Republic of); Park, Soo Gil [Chungbuk National Univ., Cheongju (Korea, Republic of)


    Sulfonated poly(phenylene sulfide) (SPPS) polymers were prepared by sulfonation of poly[methyl[4-(phenylthio)phenyl] sulfonium trifluoromethanesulfonate] (PPST) with fumic sulfonic acid (10% SO{sub 3}-H{sub 2}SO{sub 4}) and demethylation with aqueous NaOH solution. The equilibrium constants of ion exchange reactions between alkali metal cations (Li{sup +}, Na{sup +}, and K{sup +}) and SPPS ion exchanger in organic solvents such as in organic solvents such as tetrahydrofuran (THF) and dioxane were measured. The equilibrium constants of ion exchange reactions increased as the polarity of the solvent increased, and the reaction temperature decreased. The equilibrium constants of the ion exchange reaction (K{sub eq}) also increased in the order of Li{sup +}, Na{sup +}, and K{sup +}. To elucidate the spontaneity of the exchange reaction in organic solvents, the enthalpy, entropy, and Gibbs free energy were calculated. The enthalpy of reaction ranged from -0.88 to -1.33 kcal/mol, entropy ranged from 1.42 to 4.41 cal/Kmol, and Gibbs free energy ranged from -1.03 to -2.55 kcal/mol. Therefore, the exchange reactions were spontaneous because the Gibbs free energies were negative. The SPPS ion exchanger and alkali metal ion bounding each other produced good ion exchange capability in organic solvents.

  3. Presence of chelonid fibropapilloma-associated herpesvirus in tumored and non-tumored green turtles, as detected by polymerase chain reaction, in endemic and non-endemic aggregations, Puerto Rico


    Page-Karjian, Annie; Torres, Fernando; Zhang, Jian; Rivera, Samuel; Diez, Carlos; Moore, Phillip A; Moore, Debra; Brown, Corrie


    Fibropapillomatosis (FP), a transmissible neoplastic disease of marine turtles characterized by a likely herpesviral primary etiology, has emerged as an important disease in green sea turtles (Chelonia mydas) over the past three decades. The objectives of this study were to determine the suitability of three different chelonid fibropapilloma-associated herpesvirus (CFPHV) gene targets in polymerase chain reaction (PCR) assays of affected tissues; to explore the presence of CFPHV in non-affect...

  4. Structure and electronic properties of alkali-C60 nanoclusters. (United States)

    Rabilloud, Franck


    I investigated the structural and electronic properties of both Na(n)C(60) and Li(n)C(60) (n alkali atoms over the C(60) surface is analyzed. The hypotheses for either an homogeneous coating of the C(60) surface by the alkali atoms or the growth of an alkali droplet not wetting the fullerene surface are discussed. Lithium atoms are found to coat homogeneously the fullerene on the C(60) surface via pentagonal sites, contrary to sodium atoms, which prefer to form 4-atom islands on the surface. The charge transfer, the energetics, and the dipole moments are discussed in relation with available results. The adsorption of alkali atoms on the C(60) surface considerably enhances the capacity of C(60) to accept electrons. The arrangement of lithium atoms seems more favorable for the hydrogen storage than that of sodium atoms.

  5. Hall Determination of Atomic Radii of Alkali Metals (United States)

    Houari, Ahmed


    I will propose here an alternative method for determining atomic radii of alkali metals based on the Hall measurements of their free electron densities and the knowledge of their crystal structure. (Contains 2 figures.)

  6. Electric field-induced softening of alkali silicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    McLaren, C.; Heffner, W.; Jain, H. [Department of Materials Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015 (United States); Tessarollo, R.; Raj, R. [Department of Mechanical Engineering, University of Colorado at Boulder, Boulder, Colorado 80309 (United States)


    Motivated by the advantages of two-electrode flash sintering over normal sintering, we have investigated the effect of an external electric field on the viscosity of glass. The results show remarkable electric field-induced softening (EFIS), as application of DC field significantly lowers the softening temperature of glass. To establish the origin of EFIS, the effect is compared for single vs. mixed-alkali silicate glasses with fixed mole percentage of the alkali ions such that the mobility of alkali ions is greatly reduced while the basic network structure does not change much. The sodium silicate and lithium-sodium mixed alkali silicate glasses were tested mechanically in situ under compression in external electric field ranging from 0 to 250 V/cm in specially designed equipment. A comparison of data for different compositions indicates a complex mechanical response, which is observed as field-induced viscous flow due to a combination of Joule heating, electrolysis and dielectric breakdown.

  7. A Novel Eco-Alkali Chemistry in Newspaper Flotation Deinking

    Directory of Open Access Journals (Sweden)

    Ivana Plazonic


    Full Text Available Performance and efficiency of fresh offset-printed daily Croatian newspaper deinked by novel chemistry, named Eco-alkali, were investigated in this study. Eco-alkali is naturally gained alkali prepared from domestic by-product wood fly ash collected after hardwood ignition. Brightness, opacity and effective residual ink concentration (ERIC as optical properties were evaluated for the deinked pulp before and after flotation. Lingering ink particles and their total surface area were measured by image analysis method. Experimental results are compared to the pulp deinked with worldwide accepted method INGEDE Method 11 using identical steps through the whole deinking process. The findings obtained from present work, especially removing particle efficiency results before flotation, indicated that eco-alkali have potential to be used in flotation deinking of newspapers.

  8. Acid/alkali gated photochromism of two diarylperfluorocyclopentenes

    Institute of Scientific and Technical Information of China (English)

    CHEN; ZiHui; ZHAO; ShengMin; LI; ZhongYu; ZHANG; Zhi; ZHANG; FuShi


    Two novel diarylfuorocyclopentenes, which underwent gated photochromism, were synthesized. It was found that the photochromic property of these diarylethenes could be switched by alternative addition of acids/alkalis, which could provide a new design strategy toward chemical threshold photoreaction.

  9. FTIR Analysis of Alkali Activated Slag and Fly Ash Using Deconvolution Techniques (United States)

    Madavarapu, Sateesh Babu

    The studies on aluminosilicate materials to replace traditional construction materials such as ordinary Portland cement (OPC) to reduce the effects caused has been an important research area for the past decades. Many properties like strength have already been studied and the primary focus is to learn about the reaction mechanism and the effect of the parameters on the formed products. The aim of this research was to explore the structural changes and reaction product analysis of geopolymers (Slag & Fly Ash) using Fourier transform infrared spectroscopy (FTIR) and deconvolution techniques. Spectroscopic techniques give valuable information at a molecular level but not all methods are economic and simple. To understand the mechanisms of alkali activated aluminosilicate materials, attenuated total reflectance (ATR) FTIR has been used where the effect of the parameters on the reaction products have been analyzed. To analyze complex systems like geopolymers using FTIR, deconvolution techniques help to obtain the properties of a particular peak attributed to a certain molecular vibration. Time and temperature dependent analysis were done on slag pastes to understand the polymerization of reactive silica in the system with time and temperature variance. For time dependent analysis slag has been activated with sodium and potassium silicates using two different `n'values and three different silica modulus [Ms- (SiO2 /M2 O)] values. The temperature dependent analysis was done by curing the samples at 60°C and 80°C. Similarly fly ash has been studied by activating with alkali hydroxides and alkali silicates. Under the same curing conditions the fly ash samples were evaluated to analyze the effects of added silicates for alkali activation. The peak shifts in the FTIR explains the changes in the structural nature of the matrix and can be identified using the deconvolution technique. A strong correlation is found between the concentrations of silicate monomer in the

  10. Near atomically smooth alkali antimonide photocathode thin films

    CERN Document Server

    Feng, Jun; Nasiatka, James; Schubert, Susanne; Smedley, John; Padmore, Howard


    Nano-roughness limits the emittance of electron beams that can be generated by high efficiency photocathodes, such as the thermally reacted alkali antimonide thin films. However there is an urgent need for photocathodes that can produce an order of magnitude or more lower emittance than present day systems in order to increase the transverse coherence width of the electron beam. In this paper we demonstrate a method for producing alkali antimonide cathodes with near atomic smoothness with high reproducibility.

  11. Estimating the hydration enthalpies of neutral alkali metal atoms. (United States)

    Stace, A J


    Using existing data on the ionization energies of alkali metal atoms in small clusters of water, a thermodynamic cycle is proposed from which the hydration enthalpies of the neutral metal atoms can be estimated. Where comparisons are possible, the results are in reasonable agreement with those obtained using both experimental and ab initio methods. Application of the thermodynamic cycle to neutral alkali metal atoms solvated in ammonia yields solvation enthalpies that are significantly lower than those obtained for water.

  12. Photoemission spectroscopy study of a multi-alkali photocathode

    CERN Document Server

    Ettema, A R H


    In this paper a photoemission study of the highest core levels of the elements and the electron escape barrier (work function) in a multi-alkali photocathode are presented. The core levels indicate that the alkali atoms are in an oxidized state and therefore the compound Na sub 2 KSb can be regarded as an ionic semiconductor. The measured escape barrier of the Cs sub 2 O surface layer is determined as 2.3 eV.

  13. Alkali absorption and citrate excretion in calcium nephrolithiasis (United States)

    Sakhaee, K.; Williams, R. H.; Oh, M. S.; Padalino, P.; Adams-Huet, B.; Whitson, P.; Pak, C. Y.


    The role of net gastrointestinal (GI) alkali absorption in the development of hypocitraturia was investigated. The net GI absorption of alkali was estimated from the difference between simple urinary cations (Ca, Mg, Na, and K) and anions (Cl and P). In 131 normal subjects, the 24 h urinary citrate was positively correlated with the net GI absorption of alkali (r = 0.49, p < 0.001). In 11 patients with distal renal tubular acidosis (RTA), urinary citrate excretion was subnormal relative to net GI alkali absorption, with data from most patients residing outside the 95% confidence ellipse described for normal subjects. However, the normal relationship between urinary citrate and net absorbed alkali was maintained in 11 patients with chronic diarrheal syndrome (CDS) and in 124 stone-forming patients devoid of RTA or CDS, half of whom had "idiopathic" hypocitraturia. The 18 stone-forming patients without RTA or CDS received potassium citrate (30-60 mEq/day). Both urinary citrate and net GI alkali absorption increased, yielding a significantly positive correlation (r = 0.62, p < 0.0001), with the slope indistinguishable from that of normal subjects. Thus, urinary citrate was normally dependent on the net GI absorption of alkali. This dependence was less marked in RTA, confirming the renal origin of hypocitraturia. However, the normal dependence was maintained in CDS and in idiopathic hypocitraturia, suggesting that reduced citrate excretion was largely dietary in origin as a result of low net alkali absorption (from a probable relative deficiency of vegetables and fruits or a relative excess of animal proteins).

  14. Water Content of Lunar Alkali Fedlspar (United States)

    Mills, R. D.; Simon, J. I.; Wang, J.; Alexander, C. M. O'D.; Hauri, E. H.


    Detection of indigenous hydrogen in a diversity of lunar materials, including volcanic glass, melt inclusions, apatite, and plagioclase suggests water may have played a role in the chemical differentiation of the Moon. Spectroscopic data from the Moon indicate a positive correlation between water and Th. Modeling of lunar magma ocean crystallization predicts a similar chemical differentiation with the highest levels of water in the K- and Th-rich melt residuum of the magma ocean (i.e. urKREEP). Until now, the only sample-based estimates of water content of KREEP-rich magmas come from measurements of OH, F, and Cl in lunar apatites, which suggest a water concentration of water content of the magma ocean would have water contents of 320 ppm for the bulk Moon and 1.4 wt % for urKREEP from plagioclase in ferroan anorthosites. Results and interpretation: NanoSIMS data from granitic clasts from Apollo sample 15405,78 show that alkali feldspar, a common mineral in K-enriched rocks, can have approx. 20 ppm of water, which implies magmatic water contents of approx. 1 wt % in the high-silica magmas. This estimate is 2 to 3 orders of magnitude higher than that estimated from apatite in similar rocks. However, the Cl and F contents of apatite in chemically similar rocks suggest that these melts also had high Cl/F ratios, which leads to spuriously low water estimates from the apatite. We can only estimate the minimum water content of urKREEP (+ bulk Moon) from our alkali feldspar data because of the unknown amount of degassing that led to the formation of the granites. Assuming a reasonable 10 to 100 times enrichment of water from urKREEP into the granites produces an estimate of 100-1000 ppm of water for the urKREEP reservoir. Using the modeling of and the 100-1000 ppm of water in urKREEP suggests a minimum bulk silicate Moon water content between 2 and 20 ppm. However, hydrogen loss was likely very significant in the evolution of the lunar mantle. Conclusions: Lunar granites

  15. Hydrophobic aggregation of ultrafine kaolinite

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiao-ping; HU Yue-hua; LIU Run-Qing


    The hydrophobic aggregation of ultrafine kaolinite in cationic surfactant suspension was investigated by sedimentation test, zeta potential measurement and SEM observation. SEM images reveal that kaolinite particles show the self-aggregation of edge-face in acidic media, the aggregation of edge-face and edge-edge in neutral media, and the dispersion in alkaline media due to electrostatic repulsion. In the presence of the dodecylammonium acetate cationic surfactant and in neutral and alkaline suspension, the hydrophobic aggregation of face-face is demonstrated. The zeta potential of kaolinite increases with increasing the concentration of cationic surfactant. The small and loose aggregation at a low concentration but big and tight aggregation at a high concentration is presented At pH=7 alkyl quarterly amine salt CTAB has the best hydrophobic aggregation among three cationic surfactants, namely, dodecylammonium acetate, alkyl quarterly amine salts 1227 and CTAB.

  16. Absorption Spectra of Astaxanthin Aggregates

    CERN Document Server

    Olsina, Jan; Minofar, Babak; Polivka, Tomas; Mancal, Tomas


    Carotenoids in hydrated polar solvents form aggregates characterized by dramatic changes in their absorption spectra with respect to monomers. Here we analyze absorption spectra of aggregates of the carotenoid astaxanthin in hydrated dimethylsulfoxide. Depending on water content, two types of aggregates were produced: H-aggregates with absorption maximum around 390 nm, and J-aggregates with red-shifted absorption band peaking at wavelengths >550 nm. The large shifts with respect to absorption maximum of monomeric astaxanthin (470-495 nm depending on solvent) are caused by excitonic interaction between aggregated molecules. We applied molecular dynamics simulations to elucidate structure of astaxanthin dimer in water, and the resulting structure was used as a basis for calculations of absorption spectra. Absorption spectra of astaxanthin aggregates in hydrated dimethylsulfoxide were calculated using molecular exciton model with the resonance interaction energy between astaxanthin monomers constrained by semi-e...

  17. Distribution of chromium contamination and microbial activity in soil aggregates. (United States)

    Tokunaga, Tetsu K; Wan, Jiamin; Hazen, Terry C; Schwartz, Egbert; Firestone, Mary K; Sutton, Stephen R; Newville, Matthew; Olson, Keith R; Lanzirotti, Antonio; Rao, William


    Biogeochemical transformations of redox-sensitive chemicals in soils can be strongly transport-controlled and localized. This was tested through experiments on chromium diffusion and reduction in soil aggregates that were exposed to chromate solutions. Reduction of soluble Cr(VI) to insoluble Cr(II) occurred only within the surface layer of aggregates with higher available organic carbon and higher microbial respiration. Sharply terminated Cr diffusion fronts develop when the reduction rate increases rapidly with depth. The final state of such aggregates consists of a Cr-contaminated exterior, and an uncontaminated core, each having different microbial community compositions and activity. Microbial activity was significantly higher in the more reducing soils, while total microbial biomass was similar in all of the soils. The small fraction of Cr(VI) remaining unreduced resides along external surfaces of aggregates, leaving it potentially available to future transport down the soil profile. Using the Thiele modulus, Cr(VI) reduction in soil aggregates is shown to be diffusion rate- and reaction rate-limited in anaerobic and aerobic aggregates, respectively. Thus, spatially resolved chemical and microbiological measurements are necessary within anaerobic soil aggregates to characterize and predict the fate of Cr contamination. Typical methods of soil sampling and analyses that average over redox gradients within aggregates can erase important biogeochemical spatial relations necessary for understanding these environments.

  18. Absorption spectra of alkali-C₆₀ nanoclusters. (United States)

    Rabilloud, Franck


    We investigate the absorption spectra of alkali-doped C60 nanoclusters, namely C60Nan, C60Kn, and C60Lin, with n = 1, 2, 6, 12, in the framework of the time-dependent density-functional theory (TDDFT). We study the dependence of the absorption spectra on the nature of the alkali. We show that in few cases the absorption spectra depend on the arrangement of the alkali atoms over the fullerene, though sometimes the absorption spectra do not allow us to distinguish between different configurations. When only one or two alkali atoms are adsorbed on the fullerene, the optical response of alkali-doped C60 is similar to that of the anion C60(-) with a strong response in the UV domain. In contrast, for higher concentration of alkali, a strong optical response is predicted in the visible range, particularly when metal-metal bonds are formed. The weak optical response of the I(h)-symmetry C60Li12 is proposed to be used as a signature of its structure.

  19. Alkali-metal azides interacting with metal-organic frameworks. (United States)

    Armata, Nerina; Cortese, Remedios; Duca, Dario; Triolo, Roberto


    Interactions between alkali-metal azides and metal-organic framework (MOF) derivatives, namely, the first and third members of the isoreticular MOF (IRMOF) family, IRMOF-1 and IRMOF-3, are studied within the density functional theory (DFT) paradigm. The investigations take into account different models of the selected IRMOFs. The mutual influence between the alkali-metal azides and the π rings or Zn centers of the involved MOF derivatives are studied by considering the interactions both of the alkali-metal cations with model aromatic centers and of the alkali-metal azides with distinct sites of differently sized models of IRMOF-1 and IRMOF-3. Several exchange and correlation functionals are employed to calculate the corresponding interaction energies. Remarkably, it is found that, with increasing alkali-metal atom size, the latter decrease for cations interacting with the π-ring systems and increase for the azides interacting with the MOF fragments. The opposite behavior is explained by stabilization effects on the azide moieties and determined by the Zn atoms, which constitute the inorganic vertices of the IRMOF species. Larger cations can, in fact, coordinate more efficiently to both the aromatic center and the azide anion, and thus stabilizing bridging arrangements of the azide between one alkali-metal and two Zn atoms in an η(2) coordination mode are more favored.

  20. Two-phase alkali-metal experiments in reduced gravity

    Energy Technology Data Exchange (ETDEWEB)

    Antoniak, Z.I.


    Future space missions envision the use of large nuclear reactors utilizing either a single or a two-phase alkali-metal working fluid. The design and analysis of such reactors require state-of-the-art computer codes that can properly treat alkali-metal flow and heat transfer in a reduced-gravity environment. A literature search of relevant experiments in reduced gravity is reported on here, and reveals a paucity of data for such correlations. The few ongoing experiments in reduced gravity are noted. General plans are put forth for the reduced-gravity experiments which will have to be performed, at NASA facilities, with benign fluids. A similar situation exists regarding two-phase alkali-metal flow and heat transfer, even in normal gravity. Existing data are conflicting and indequate for the task of modeling a space reactor using a two-phase alkali-metal coolant. The major features of past experiments are described here. Data from the reduced-gravity experiments with innocuous fluids are to be combined with normal gravity data from the two-phase alkali-metal experiments. Analyses undertaken here give every expectation that the correlations developed from this data base will provide a valid representation of alkali-metal heat transfer and pressure drop in reduced gravity.


    Directory of Open Access Journals (Sweden)

    Bwire S. Ndazi


    Full Text Available Chemical and thermal stability of rice husks against alkali treatment with 2 to 8% w/v NaOH are presented and discussed in this paper. The thermal stability of the rice husks was examined by using a thermal gravimetric analysis instrument. Chemical stability was evaluated by examining the organic components of rice husks using proximate analysis. The results indicated that the proportion of lignin and hemicellulose in rice husks treated with NaOH ranging from 4 to 8% decreased significantly by 96% and 74%, respectively. The thermal stability and final degradation temperatures of the alkali-treated rice husks were also lowered by 24-26°C due to degradation of hemicellulose and lignin during alkali treatment. Absence of the onset degradation zones in the alkali-treated rice husks was a further indication that hemicellulose and other volatile substances degraded during alkali treatment. This leads to a conclusion that alkali treatment of rice husks with more than 4% NaOH causes a substantial chemical degradation of rice husks, which subsequently decreases their thermal stability.

  2. Vibrations of alkali metal overlayers on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rusina, G G; Eremeev, S V; Borisova, S D [Institute of Strength Physics and Materials Science SB RAS, 634021, Tomsk (Russian Federation); Echenique, P M; Chulkov, E V [Donostia International Physics Center (DIPC), 20018 San Sebastian/Donostia, Basque Country (Spain); Benedek, G [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy)], E-mail:


    We review the current progress in the understanding of vibrations of alkalis adsorbed on metal surfaces. The analysis of alkali vibrations was made on the basis of available theoretical and experimental results. We also include in this discussion our recent calculations of vibrations in K/Pt(111) and Li(Na)/Cu(001) systems. The dependence of alkali adlayer localized modes on atomic mass, adsorption position and coverage as well as the dependence of vertical vibration frequency on the substrate orientation is discussed. The square root of atomic mass dependence of the vertical vibration energy has been confirmed by using computational data for alkalis on the Al(111) and Cu(001) substrates. We have confirmed that in a wide range of submonolayer coverages the stretch mode energy remains nearly constant while the energy of in-plane polarized modes increases with the increase of alkali coverage. It was shown that the spectrum of both stretch and in-plane vibrations can be very sensitive to the adsorption position of alkali atoms and substrate orientation.

  3. Vibrations of alkali metal overlayers on metal surfaces (United States)

    Rusina, G. G.; Eremeev, S. V.; Echenique, P. M.; Benedek, G.; Borisova, S. D.; Chulkov, E. V.


    We review the current progress in the understanding of vibrations of alkalis adsorbed on metal surfaces. The analysis of alkali vibrations was made on the basis of available theoretical and experimental results. We also include in this discussion our recent calculations of vibrations in K/Pt(111) and Li(Na)/Cu(001) systems. The dependence of alkali adlayer localized modes on atomic mass, adsorption position and coverage as well as the dependence of vertical vibration frequency on the substrate orientation is discussed. The square root of atomic mass dependence of the vertical vibration energy has been confirmed by using computational data for alkalis on the Al(111) and Cu(001) substrates. We have confirmed that in a wide range of submonolayer coverages the stretch mode energy remains nearly constant while the energy of in-plane polarized modes increases with the increase of alkali coverage. It was shown that the spectrum of both stretch and in-plane vibrations can be very sensitive to the adsorption position of alkali atoms and substrate orientation.

  4. Alkali and heavy metal emissions of the PCFB-process; Alkali- ja raskasmetallipaeaestoet PCFB-prosessista

    Energy Technology Data Exchange (ETDEWEB)

    Kuivalainen, R.; Eriksson, T.; Lehtonen, P. [Foster Wheeler Energia Oy, Karhula (Finland)


    Pressurized Circulating Fluidized Bed (PCFB) combustion technology has been developed in Karhula R and D Center since 1986. As part of the development, 10 MW PCFB test facility was built in 1989. The test facility has been used for performance testing with different coal types through the years 1990-1995 in order to gain data for design and commercialization of the high-efficiency low-emission PCFB combustion technology. The main object of the project was to measure vapor phase Na and K concentrations in the PCFB flue gas after hot gas filter and investigate the effects of process conditions and sorbents on alkali release. The measurements were performed using plasma assisted method of TUT Laboratory of Plasma Technology and wet absorption method of VTT Energy. The measurements were carried out during three test campaigns at PCFB Test Facility in Karhula. In autumn 1995 both VTT and TUT methods were used. The measurements of the following test period in spring 1996 were performed by VTT, and during the last test segment in autumn 1996 TUT method was in use. During the last test period, the TUT instrument was used as semi-continuous (3 values/minute) alkali analyzer for part of the time. The measured Na concentrations were below 30 ppb(w) in all measured data points. The results of K were below 10 ppb(w). The accuracies of the both methods are about +50 % at this concentration range. The scatter of the data covers the effects of different process variables on the alkali emission. The measured emissions are at the same order of magnitude as the guideline emission limits estimated by gas turbine manufacturers

  5. Relation between the electroforming voltage in alkali halide-polymer diodes and the bandgap of the alkali halide

    Energy Technology Data Exchange (ETDEWEB)

    Bory, Benjamin F.; Wang, Jingxin; Janssen, René A. J.; Meskers, Stefan C. J., E-mail: [Molecular Materials and Nanosystems and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Gomes, Henrique L. [Instituto de Telecomunicações, Av. Rovisco, Pais 1, 1049-001 Lisboa, Portugal and Universidade do Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); De Leeuw, Dago M. [Max-Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany and King Abdulaziz University, Jeddah (Saudi Arabia)


    Electroforming of indium-tin-oxide/alkali halide/poly(spirofluorene)/Ba/Al diodes has been investigated by bias dependent reflectivity measurements. The threshold voltages for electrocoloration and electroforming are independent of layer thickness and correlate with the bandgap of the alkali halide. We argue that the origin is voltage induced defect formation. Frenkel defect pairs are formed by electron–hole recombination in the alkali halide. This self-accelerating process mitigates injection barriers. The dynamic junction formation is compared to that of a light emitting electrochemical cell. A critical defect density for electroforming is 10{sup 25}/m{sup 3}. The electroformed alkali halide layer can be considered as a highly doped semiconductor with metallic transport characteristics.

  6. Superconductivity in alkali-metal-doped picene. (United States)

    Mitsuhashi, Ryoji; Suzuki, Yuta; Yamanari, Yusuke; Mitamura, Hiroki; Kambe, Takashi; Ikeda, Naoshi; Okamoto, Hideki; Fujiwara, Akihiko; Yamaji, Minoru; Kawasaki, Naoko; Maniwa, Yutaka; Kubozono, Yoshihiro


    Efforts to identify and develop new superconducting materials continue apace, motivated by both fundamental science and the prospects for application. For example, several new superconducting material systems have been developed in the recent past, including calcium-intercalated graphite compounds, boron-doped diamond and-most prominently-iron arsenides such as LaO(1-x)F(x)FeAs (ref. 3). In the case of organic superconductors, however, no new material system with a high superconducting transition temperature (T(c)) has been discovered in the past decade. Here we report that intercalating an alkali metal into picene, a wide-bandgap semiconducting solid hydrocarbon, produces metallic behaviour and superconductivity. Solid potassium-intercalated picene (K(x)picene) shows T(c) values of 7 K and 18 K, depending on the metal content. The drop of magnetization in K(x)picene solids at the transition temperature is sharp (<2 K), similar to the behaviour of Ca-intercalated graphite. The T(c) of 18 K is comparable to that of K-intercalated C(60) (ref. 4). This discovery of superconductivity in K(x)picene shows that organic hydrocarbons are promising candidates for improved T(c) values.

  7. Bioinorganic Chemistry of the Alkali Metal Ions. (United States)

    Kim, Youngsam; Nguyen, Thuy-Tien T; Churchill, David G


    The common Group 1 alkali metals are indeed ubiquitous on earth, in the oceans and in biological systems. In this introductory chapter, concepts involving aqueous chemistry and aspects of general coordination chemistry and oxygen atom donor chemistry are introduced. Also, there are nuclear isotopes of importance. A general discussion of Group 1 begins from the prevalence of the ions, and from a comparison of their ionic radii and ionization energies. While oxygen and water molecule binding have the most relevance to biology and in forming a detailed understanding between the elements, there is a wide range of basic chemistry that is potentially important, especially with respect to biological chelation and synthetic multi-dentate ligand design. The elements are widely distributed in life forms, in the terrestrial environment and in the oceans. The details about the workings in animal, as well as plant life are presented in this volume. Important biometallic aspects of human health and medicine are introduced as well. Seeing as the elements are widely present in biology, various particular endogenous molecules and enzymatic systems can be studied. Sodium and potassium are by far the most important and central elements for consideration. Aspects of lithium, rubidium, cesium and francium chemistry are also included; they help in making important comparisons related to the coordination chemistry of Na(+) and K(+). Physical methods are also introduced.

  8. Superconductivity in alkali-doped fullerene nanowhiskers (United States)

    Takeya, Hiroyuki; Konno, Toshio; Hirata, Chika; Wakahara, Takatsugu; Miyazawa, Kun'ichi; Yamaguchi, Takahide; Tanaka, Masashi; Takano, Yoshihiko


    Superconductivity in alkali metal-doped fullerene nanowhiskers (C60NWs) was observed in K3.3C60NWs, Rb3.0C60NWs and Cs2.0Rb1.0C60NWs with transition temperatures at 17, 25 and 26 K, respectively. Almost full shielding volume fraction (~80%) was observed in K3.3C60NWs when subjected to thermal treatment at 200 °C for a duration of 24 h. In contrast, the shielding fraction of Rb3.0C60NWs and Cs2.0Rb1.0C60NWs were calculated to be 8% and 6%, respectively. Here we report on an extensive investigation of the superconducting properties of these AC60NWs (A  =  K3.3, Rb3.0 and Cs2.0Rb1.0). These properties are compared to the ones reported on the corresponding conventional (single-crystal or powder) K-doped fullerene. We also evaluated the critical current densities of these C60NWs using the Bean model under an applied magnetic field up to 50 kOe.

  9. Alternative alkali resistant deNOx catalysts

    DEFF Research Database (Denmark)

    Putluru, Siva Sankar Reddy; Kristensen, Steffen Buus; Due-Hansen, Johannes;


    Alternative alkali resistant deNOx catalysts were prepared using three different supports ZrO2, TiO2 and Mordenite zeolite. The majority of the catalysts were prepared by incipient wetness impregnation of a commercial support, with vanadium, copper or iron precursor, one catalyst was prepared...... by onepot sol–gel method. All catalysts were characterized by BET, XRPD and NH3-TPD. Initial SCR activities of 8 out of 9 catalysts showed higher NO conversion at least at one temperature in the temperature range 300–500 ◦C compared to the conventional V2O5-WO3/TiO2 catalyst. After potassium poisoning (100......–130 µmol of K/g of catalyst) the relative drop in SCR activity and acidity was lower for all the alternative catalysts compared to the industrial V2O5-WO3/TiO2 catalyst. Furthermore, Cu/MOR and Nano-V2O5/Sul-TiO2 catalysts showed 8–16 times higher SCR activities than the conventional even after high...

  10. Influence of alkali metal doping on surface properties and catalytic activity/selectivity of CaO catalysts in oxidative coupling of methane

    Institute of Scientific and Technical Information of China (English)

    V.H.Rane; S.T.Chaudhari; V.R.Choudhary


    Surface properties (viz. surface area, basicity/base strength distribution, and crystal phases) of alkali metal doped CaO (alkali metal/Ca = 0.1 and 0.4) catalysts and their catalytic activity/selectivity in oxidative coupling of methane (OCM) to higher hydrocarbons at different reaction conditions (viz. temperature, 700 and 750 ℃; CH4/O2 ratio, 4.0 and 8.0 and space velocity, 5140-20550 cm3·g-1·h-1) have been investigated. The influence of catalyst calcination temperature on the activity/selectivity has also been investigated. The surface properties (viz. surface area, basicity/base strength distribution) and catalytic activity/selectivity of the alkali metal doped CaO catalysts are strongly influenced by the alkali metal promoter and its concentration in the alkali metal doped CaO catalysts. An addition of alkali metal promoter to CaO results in a large decrease in the surface area but a large increase in the surface basicity (strong basic sites) and the C2+ selectivity and yield of the catalysts in the OCM process. The activity and selectivity are strongly influenced by the catalyst calcination temperature. No direct relationship between surface basicity and catalytic activity/selectivity has been observed. Among the alkali metal doped CaO catalysts, Na-CaO (Na/Ca = 0.1, before calcination) catalyst (calcined at 750 ℃), showed best performance (C2+selectivity of 68.8% with 24.7% methane conversion), whereas the poorest performance was shown by the Rb-CaO catalyst in the OCM process.

  11. Selectivity between Oxygen and Chlorine Evolution in the Chlor-Alkali and Chlorate Processes. (United States)

    Karlsson, Rasmus K B; Cornell, Ann


    Chlorine gas and sodium chlorate are two base chemicals produced through electrolysis of sodium chloride brine which find uses in many areas of industrial chemistry. Although the industrial production of these chemicals started over 100 years ago, there are still factors that limit the energy efficiencies of the processes. This review focuses on the unwanted production of oxygen gas, which decreases the charge yield by up to 5%. Understanding the factors that control the rate of oxygen production requires understanding of both chemical reactions occurring in the electrolyte, as well as surface reactions occurring on the anodes. The dominant anode material used in chlorate and chlor-alkali production is the dimensionally stable anode (DSA), Ti coated by a mixed oxide of RuO2 and TiO2. Although the selectivity for chlorine evolution on DSA is high, the fundamental reasons for this high selectivity are just now becoming elucidated. This review summarizes the research, since the early 1900s until today, concerning the selectivity between chlorine and oxygen evolution in chlorate and chlor-alkali production. It covers experimental as well as theoretical studies and highlights the relationships between process conditions, electrolyte composition, the material properties of the anode, and the selectivity for oxygen formation.

  12. The Influence of 1-Butanol and Trisodium Citrate Ion on Morphology and Chemical Properties of Chitosan-Based Microcapsules during Rigidification by Alkali Treatment

    Directory of Open Access Journals (Sweden)

    Sudipta Chatterjee


    Full Text Available Linseed oil which has various biomedical applications was encapsulated by chitosan (Chi-based microcapsules in the development of a suitable carrier. Oil droplets formed in oil-in-water emulsion using sodium dodecyl sulfate (SDS as emulsifier was stabilized by Chi, and microcapsules with multilayers were formed by alternate additions of SDS and Chi solutions in an emulsion through electrostatic interaction. No chemical cross-linker was used in the study and the multilayer shell membrane was formed by ionic gelation using Chi and SDS. The rigidification of the shell membrane of microcapsules was achieved by alkali treatment in the presence of a small amount of 1-butanol to reduce aggregation. A trisodium citrate solution was used to stabilize the charge of microcapsules by ionic cross-linking. Effects of butanol during alkali treatment and citrate in post alkali treatment were monitored in terms of morphology and the chemical properties of microcapsules. Various characterization techniques revealed that the aggregation was decreased and surface roughness was increased with layer formation.

  13. Inlfuence of the Alkali Treatment of HZSM-5 Zeolite on Catalytic Performance of PtSn-Based Catalyst for Propane Dehydrogenation

    Institute of Scientific and Technical Information of China (English)

    Huang Li; Zhou Shijian; Zhou Yuming; Zhang Yiwei; Xu Jun; Wang Li


    The porous material ATZ with micro-mesopore hierarchical porosity was prepared by alkali treatment of parent HZSM-5 zeolite and applied for propane dehydrogenation. The zeolite samples were characterized by XRD, N2-physisorption, and NH3-TPD analysis. The results showed that the alkali treatment can modify the physicochemical prop-erties of HZSM-5 zeolite. In this case, the porous material ATZ showed larger external surface area with less acid sites as compared to the HZSM-5 zeolite. It was found out that the alkali treatment of HZSM-5 zeolite could promote the catalytic performance of PtSn/ATZ catalyst. The possible reason was ascribed to the low acidity of ATZ. Furthermore, the presence of mesopores could reduce the carbon deposits on the metallic surface, which was also favorable for the dehydrogenation reaction.

  14. Interactions and low energy collisions between an alkali ion and an alkali atom of different nucleus

    CERN Document Server

    Rakshit, Arpita; Berriche, Hamid; Deb, Bimalendu


    We study theoretically interaction potentials and low energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems like X + Y$^{+}$, where X(Y$^{+})$ is either Li(Cs$^+$) or Cs((Li$^+$), Na(Cs$^+$) or Cs(Na$^+$) and Li(Rb$^+$) or Rb(Li$^+$). We calculate the molecular potentials of the ground and first two excited states of these three systems using pseudopotential method and compare our results with those obtained by others. We calculate ground-state scattering wave functions and cross sections of these systems for a wide range of energies. We find that, in order to get convergent results for the total scattering cross sections for energies of the order $1$ K, one needs to take into account at least 60 partial waves. In the low energy limit ($< 1 \\mu$K), elastic scattering cross sections exhibit Wigner law threshold behavior while in the high energy limit the cross sections go as $E^{-1/3}$. We discuss qualitatively the possibilities of forming cold molecular ion by ...

  15. Hydrogen storage over alkali metal hydride and alkali metal hydroxide composites

    Institute of Scientific and Technical Information of China (English)

    Pei Yu; Yong Shen Chua; Hujun Cao; Zhitao Xiong; Guotao Wu; Ping Chen


    Alkali metal hydroxide and hydride composite systems contain both protic (H bonded with O) and hydridic hydrogen. The interaction of these two types of hydrides produces hydrogen. The enthalpy of dehydrogenation increased with the increase of atomic number of alkali metals, i.e.,-23 kJ/molH2 for LiOH-LiH, 55.34 kJ/molH2 for NaOH-NaH and 222 kJ/molH2 for KOH-KH. These thermodynamic calculation results were consistent with our experimental results. H2 was released from LiOH-LiH system during ball milling. The dehydrogenation temperature of NaOH-NaH system was about 150◦C; whereas KOH and KH did not interact with each other during the heating process. Instead, KH decomposed by itself. In these three systems, NaOH-NaH was the only reversible hydrogen storage system, the enthalpy of dehydrogenation was about 55.65 kJ/molH2 , and the corresponding entropy was ca. 101.23 J/(molH2 ·K), so the temperature for releasing 1.0 bar H2 was as high as 518◦C, showing unfavorable thermodynamic properties. The activation energy for hydrogen desorption of NaOH-NaH was found to be 57.87 kJ/mol, showing good kinetic properties.

  16. Spherical TiO2 aggregates with different building units for dye-sensitized solar cells. (United States)

    Liu, Zhaohui; Su, Xunjia; Hou, Genliang; Bi, Song; Xiao, Zhou; Jia, Haipeng


    Tailoring the architectures of spherical TiO2 aggregates is crucial to obtain superior photovoltaic properties and promote their application in dye-sensitized solar cells (DSSCs). Herein, we synthesized spherical TiO2 aggregates using different building units, including nanocrystallites, nanorods, nanosheets, and nanotubes, via a hydrothermal method, and studied the effect of the building units on the performances of DSSCs. The aggregates assembled by uniform nanosheet and nanotube building units were synthesized with the use of spherical TiO2 nanorod aggregates as titanium sources in an alkaline hydrothermal reaction. Compared with TiO2 nanoparticles, the spherical TiO2 aggregates possess higher surface area, more efficient light scattering ability, and better electron transport properties. Among the four types of spherical TiO2 aggregates; the nanorod, nanotube, and nanosheet aggregates demonstrate better electron transport properties than the nanocrystallite aggregates; the nanotube and nanosheet aggregates exhibit more efficient light scattering than the nanocrystallite and nanorod aggregates; and the nanotube aggregates show the highest surface area. Thus the DSSC based on nanotube aggregates exhibited the highest energy conversion efficiency of 7.48%, which is 16.0%, 9.7%, and 19.5% higher than those of the DSSCs based on the nanosheet, nanorod, and nanocrystallite aggregates, respectively.

  17. Simultaneous Synthesis of Dimethyl Carbonate and Poly(ethylene terephthalate) Using Alkali Metals as Catalysts%碱金属化合物催化同时合成碳酸二甲酯和聚对苯二甲酸乙二醇酯

    Institute of Scientific and Technical Information of China (English)

    张丹; 王庆印; 姚洁; 王越; 曾毅; 王公应


    Dimethyl carbonate (DMC) and poly(ethylene terephthalate) was simultaneously synthesized by the transesterification of ethylene carbonate (EC) with dimethyl terephthalate (DMT) in this paper. This reaction is an excellent green chemical process without poisonous substance. Various alkali metals were used as the catalysts. The results showed alkali metals had catalytic activity in a certain extent. The effect of reaction condition was also studied. When the reaction was carried out under the following conditions: the reaction temperature 250℃, molar ratio of EC to DMT 3: 1, reaction time 3h, and catalyst amount 0.004 (molar ratio to DMT), the yield of DMC was 68.9%.

  18. Alkali cold gelation of whey proteins. Part I: sol-gel-sol(-gel) transitions. (United States)

    Mercadé-Prieto, Ruben; Gunasekaran, Sundaram


    The cold gelation of preheated whey protein isolate (WPI) solutions at alkaline conditions (pH>10) has been studied to better understand the effect of NaOH in the formation and destruction of whey protein aggregates and gels. Oscillatory rheology has been used to follow the gelation process, resulting in novel and different gelation profiles with the gelation pH. At low alkaline pH, typical sol-gel transitions are observed, as in many other biopolymers. At pH>11.5, the system gels quickly, after approximately 300 s, followed by a slow degelation step that transforms the gel to a viscous solution. Finally, there is a second gelation step. This results in a surprising sol-gel-sol-gel transition in time at constant gelation conditions. At very high pH (>12.5), the degelation step is very severe, and the second gelation step is not observed, resulting in a sol-gel-sol transition. The first quick gelation step is related to the quick swelling of the WPI aggregates in alkali, as observed from light scattering, which enables the formation of new noncovalent interactions to form a gel network. These interactions are argued to be destroyed in the subsequent degelation step. Disulfide cross-linking is observed only in the second gelation step, not in the first step.

  19. Experimental Study on Full-Scale Beams Made by Reinforced Alkali Activated Concrete Undergoing Flexure

    Directory of Open Access Journals (Sweden)

    Linda Monfardini


    Full Text Available Alkali Activated Concrete (AAC is an alternative kind of concrete that uses fly ash as a total replacement of Portland cement. Fly ash combined with alkaline solution and cured at high temperature reacts to form a binder. Four point bending tests on two full scale beams made with AAC are described in this paper. Companion small material specimens were also casted with the aim of properly characterizing this new tailored material. The beam’s length was 5000 mm and the cross section was 200 mm × 300 mm. The AAC consisted of fly ash, water, sand 0–4 mm and coarse aggregate 6–10 mm; and the alkaline solution consisted of sodium hydroxide mixed with sodium silicate. No cement was utilized. The maximum aggregate size was 10 mm; fly ash was type F, containing a maximum calcium content of 2%. After a rest period of two days, the beam was cured at 60 °C for 24 h. Data collected and critically discussed included beam deflection, crack patterns, compressive and flexural strength and elastic modulus. Results show how AAC behavior is comparable with Ordinary Portland Cement (OPC based materials. Nonlinear numerical analyses are finally reported, promoting a better understanding of the structural response.

  20. An alkali catalyzed trans-esterification of rice bran, cottonseed and waste cooking oil

    Directory of Open Access Journals (Sweden)

    Akhtar Faheem H.


    Full Text Available In this research work, biodiesel production by trans-esterification of three raw materials including virgin and used edible oil and non edible oil has been presented. A two step method following acidic and alkali catalyst was used for non edible oil due to the unsuitability of using the straight alkaline-catalyzed trans-esterification of high FFA present in rice bran oil. The acid value after processing for rice bran, cottonseed and waste cooking oil was found to be 0.95, 0.12 and 0.87 respectively. The influence of three variables on percentage yield i.e., methanol to oil molar ratio, reaction temperature and reaction time were studied at this stage. Cottonseed oil, waste cooking oil and rice bran oil showed a maximum yield of 91.7%, 84.1% and 87.1% under optimum conditions. Fuel properties of the three biodiesel satisfied standard biodiesel fuel results.

  1. Alkali norite, troctolites, and VHK mare basalts from breccia 14304 (United States)

    Goodrich, Cyrena Anne; Taylor, G. Jeffrey; Keil, Klaus; Kallemeyn, Gregory W.; Warren, Paul H.


    Twelve clasts were separated from breccia 14304 for consortium study: six pristine highlands rocks, two mare basalts, and four nonpristine highlands rocks. The pristine highlands rocks include representatives of the magnesian troctolite-anorthosite and alkali suites, the two most common subgroups of the Mg suite found at the Apollo 14 site. Two troctolite clasts have olivine (~Fo 90) and plagioclase (~An 94) compositions similar to one group of Apolo 14 troctolites. One also contains spinel (Mg' 66-85). Incompatible element abundances in one are similar to those of 14305 troctolites, although the HREE (heavy rare earth elements) pattern is distinct among Apollo 14 troctolites. A dunite clast (~Fo 89) may be an unrepresentative piece of a troctolite. Alkali lithologies include an alkali anorthosite and an alkali norite, which is a rock type not previously described. The alkali norite has a pristine igneous texture and contains inverted pigeonite (Mg' 64), plagioclase (An82), K-feldspar, ternary feldspar, REE-rich phosphates, and silica. It resembles alkali gabbronorites from Apollo 14 and 67975 in mineralogy and mineral compositions. Alkali lithologies and phosphate-bearing magnesian anorthosites from Apollo 14 may have formed from Mg-rich magmas that assimilated various amounts of material rich in P and REE. This material could be a fractionated derivative of urKREEP. another pristine clast from 14304 is an Mg-gabbronorite. The two mare basalt clasts are very high potassium (VHK) basalts. They have 4 mg/g K and K/La ratios of 580 and 700. The parent magmas of VHK basalts could have formed from typical low-Ti, high-Al basaltic magmas by assimilation of K-rich material. This material could also be a fractionated derivative or urKREEP. Nonpristine 14304 clasts include melt-textured anorthosites and an augite-rich poikilitic melt rock. The latter is probably polymict, but its major component must be an Mg-suite gabbro.

  2. Molecular photons interfaced with alkali atoms. (United States)

    Siyushev, Petr; Stein, Guilherme; Wrachtrup, Jörg; Gerhardt, Ilja


    Future quantum communication will rely on the integration of single-photon sources, quantum memories and systems with strong single-photon nonlinearities. Two key parameters are crucial for the single-photon source: a high photon flux with a very small bandwidth, and a spectral match to other components of the system. Atoms or ions may act as single-photon sources--owing to their narrowband emission and their intrinsic spectral match to other atomic systems--and can serve as quantum nonlinear elements. Unfortunately, their emission rates are still limited, even for highly efficient cavity designs. Single solid-state emitters such as single organic dye molecules are significantly brighter and allow for narrowband photons; they have shown potential in a variety of quantum optical experiments but have yet to be interfaced with other components such as stationary memory qubits. Here we describe the optical interaction between Fourier-limited photons from a single organic molecule and atomic alkali vapours, which can constitute an efficient quantum memory. Single-photon emission rates reach up to several hundred thousand counts per second and show a high spectral brightness of 30,000 detectable photons per second per megahertz of bandwidth. The molecular emission is robust and we demonstrate perfect tuning to the spectral transitions of the sodium D line and efficient filtering, even for emitters at ambient conditions. In addition, we achieve storage of molecular photons originating from a single dibenzanthanthrene molecule in atomic sodium vapour. Given the large set of molecular emission lines matching to atomic transitions, our results enable the combination of almost ideal single-photon sources with various atomic vapours, such that experiments with giant single-photon nonlinearities, mediated, for example, by Rydberg atoms, become feasible.

  3. Novel aspects of platelet aggregation

    Directory of Open Access Journals (Sweden)

    Roka-Moya Y. M.


    Full Text Available The platelet aggregation is an important process, which is critical for the hemostatic plug formation and thrombosis. Recent studies have shown that the platelet aggregation is more complex and dynamic than it was previously thought. There are several mechanisms that can initiate the platelet aggregation and each of them operates under specific conditions in vivo. At the same time, the influence of certain plasma proteins on this process should be considered. This review intends to summarize the recent data concerning the adhesive molecules and their receptors, which provide the platelet aggregation under different conditions.

  4. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WU Feng-Min; WU Li-Li; LU Hang-Jun; LI Qiao-Wen; YE Gao-Xiang


    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω the fractal dimension decreases with increasing ω, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  5. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WUFeng-Min; WULi-Li; LUHang-Jun; LIQiao-Wen; YEGao-Xiang


    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω; thefractal dimension decreases with increasing ω;, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  6. Platelet aggregation following trauma

    DEFF Research Database (Denmark)

    Windeløv, Nis A; Sørensen, Anne M; Perner, Anders


    We aimed to elucidate platelet function in trauma patients, as it is pivotal for hemostasis yet remains scarcely investigated in this population. We conducted a prospective observational study of platelet aggregation capacity in 213 adult trauma patients on admission to an emergency department (ED......). Inclusion criteria were trauma team activation and arterial cannula insertion on arrival. Blood samples were analyzed by multiple electrode aggregometry initiated by thrombin receptor agonist peptide 6 (TRAP) or collagen using a Multiplate device. Blood was sampled median 65 min after injury; median injury...... severity score (ISS) was 17; 14 (7%) patients received 10 or more units of red blood cells in the ED (massive transfusion); 24 (11%) patients died within 28 days of trauma: 17 due to cerebral injuries, four due to exsanguination, and three from other causes. No significant association was found between...

  7. Nature of the Charge Localized Between Alkali Adatoms and Metal Substrates


    Wertheim, G. K.; Riffe, D. Mark; Citrin, P. H.


    Two previously unappreciated features in photoemission spectra from alkali atoms adsorbed on W(110), namely, the sign of the alkali-induced surface-atom core-level shift of the substrate at low coverage and the very large alkali shallow core-hole lifetime width at all coverages, show that the alkali-substrate interaction is not well described by a transfer of alkali charge. Instead, both features point to the formation of a charge cloud between the alkali adatom and substrate that is d...

  8. Modeling the impact of soil aggregate size on selenium immobilization (United States)

    Kausch, M. F.; Pallud, C. E.


    Soil aggregates are mm- to cm-sized microporous structures separated by macropores. Whereas fast advective transport prevails in macropores, advection is inhibited by the low permeability of intra-aggregate micropores. This can lead to mass transfer limitations and the formation of aggregate scale concentration gradients affecting the distribution and transport of redox sensitive elements. Selenium (Se) mobilized through irrigation of seleniferous soils has emerged as a major aquatic contaminant. In the absence of oxygen, the bioavailable oxyanions selenate, Se(VI), and selenite, Se(IV), can be microbially reduced to solid, elemental Se, Se(0), and anoxic microzones within soil aggregates are thought to promote this process in otherwise well-aerated soils. To evaluate the impact of soil aggregate size on selenium retention, we developed a dynamic 2-D reactive transport model of selenium cycling in a single idealized aggregate surrounded by a macropore. The model was developed based on flow-through-reactor experiments involving artificial soil aggregates (diameter: 2.5 cm) made of sand and containing Enterobacter cloacae SLD1a-1 that reduces Se(VI) via Se(IV) to Se(0). Aggregates were surrounded by a constant flow providing Se(VI) and pyruvate under oxic or anoxic conditions. In the model, reactions were implemented with double-Monod rate equations coupled to the transport of pyruvate, O2, and Se species. The spatial and temporal dynamics of the model were validated with data from experiments, and predictive simulations were performed covering aggregate sizes 1-2.5 cm in diameter. Simulations predict that selenium retention scales with aggregate size. Depending on O2, Se(VI), and pyruvate concentrations, selenium retention was 4-23 times higher in 2.5 cm aggregates compared to 1 cm aggregates. Under oxic conditions, aggregate size and pyruvate concentrations were found to have a positive synergistic effect on selenium retention. Promoting soil aggregation on

  9. Modeling the impact of soil aggregate size on selenium immobilization

    Directory of Open Access Journals (Sweden)

    M. F. Kausch


    Full Text Available Soil aggregates are mm- to cm-sized microporous structures separated by macropores. Whereas fast advective transport prevails in macropores, advection is inhibited by the low permeability of intra-aggregate micropores. This can lead to mass transfer limitations and the formation of aggregate-scale concentration gradients affecting the distribution and transport of redox sensitive elements. Selenium (Se mobilized through irrigation of seleniferous soils has emerged as a major aquatic contaminant. In the absence of oxygen, the bioavailable oxyanions selenate, Se(VI, and selenite, Se(IV, can be microbially reduced to solid, elemental Se, Se(0, and anoxic microzones within soil aggregates are thought to promote this process in otherwise well aerated soils.

    To evaluate the impact of soil aggregate size on selenium retention, we developed a dynamic 2-D reactive transport model of selenium cycling in a single idealized aggregate surrounded by a macropore. The model was developed based on flow-through-reactor experiments involving artificial soil aggregates (diameter: 2.5 cm made of sand and containing Enterobacter cloacae SLD1a-1 that reduces Se(VI via Se(IV to Se(0. Aggregates were surrounded by a constant flow providing Se(VI and pyruvate under oxic or anoxic conditions. In the model, reactions were implemented with double-Monod rate equations coupled to the transport of pyruvate, O2, and Se-species. The spatial and temporal dynamics of the model were validated with data from experiments and predictive simulations were performed covering aggregate sizes between 1 and 2.5 cm diameter.

    Simulations predict that selenium retention scales with aggregate size. Depending on O2, Se(VI, and pyruvate concentrations, selenium retention was 4–23 times higher in 2.5-cm-aggregates compared to 1-cm-aggregates. Under oxic conditions, aggregate size and pyruvate-concentrations were found to have a positive synergistic

  10. Multi-photon processes in alkali metal vapors (United States)

    Gai, Baodong; Hu, Shu; Li, Hui; Shi, Zhe; Cai, Xianglong; Guo, Jingwei; Tan, Yannan; Liu, Wanfa; Jin, Yuqi; Sang, Fengting


    Achieving population inversion through multi-photon cascade pumping is almost always difficult, and most laser medium work under 1-photon excitation mechanism. But for alkali atoms such as cesium, relatively large absorption cross sections of several low, cascading energy levels enable them properties such as up conversion. Here we carried out research on two-photon excitation alkali fluorescence. Two photons of near infrared region are used to excite alkali atoms to n 2 D5/2, n 2 D3/2 or higher energy levels, then the blue fluorescence of (n+1) 2 P3/2,(n+1) 2 P1/2-->n 2 S1/2 are observed. Different pumping paths are tried and by the recorded spectra, transition routes of cesium are deducted and concluded. Finally the possibility of two-photon style DPALs (diode pumped alkali laser) are discussed, such alkali lasers can give output wavelengths in the shorter end of visual spectroscopy (400-460 nm) and are expected to get application in underwater communication and material laser processing.

  11. Utilization of Mineral Wools as Alkali-Activated Material Precursor

    Directory of Open Access Journals (Sweden)

    Juho Yliniemi


    Full Text Available Mineral wools are the most common insulation materials in buildings worldwide. However, mineral wool waste is often considered unrecyclable because of its fibrous nature and low density. In this paper, rock wool (RW and glass wool (GW were studied as alkali-activated material precursors without any additional co-binders. Both mineral wools were pulverized by a vibratory disc mill in order to remove the fibrous nature of the material. The pulverized mineral wools were then alkali-activated with a sodium aluminate solution. Compressive strengths of up to 30.0 MPa and 48.7 MPa were measured for RW and GW, respectively, with high flexural strengths measured for both (20.1 MPa for RW and 13.2 MPa for GW. The resulting alkali-activated matrix was a composite-type in which partly-dissolved fibers were dispersed. In addition to the amorphous material, sodium aluminate silicate hydroxide hydrate and magnesium aluminum hydroxide carbonate phases were identified in the alkali-activated RW samples. The only crystalline phase in the GW samples was sodium aluminum silicate. The results of this study show that mineral wool is a very promising raw material for alkali activation.

  12. The Aggregation of Huntingtin and α-Synuclein

    Directory of Open Access Journals (Sweden)

    María Elena Chánez-Cárdenas


    Full Text Available Huntington’s and Parkinson’s diseases are neurodegenerative disorders associated with unusual protein interactions. Although the origin and evolution of these diseases are completely different, characteristic deposits of protein aggregates (huntingtin and α-synuclein resp., are a common feature in both diseases. After these observations, many studies are performed with both proteins. Some of them try to understand the nature and driving forces of the aggregation process; others try to find a correlation between the genetic and failure in protein function. Finally with the combination of both approaches, it was proposed that possible strategies deal with pathologic aggregation. Unfortunately, if protein aggregation is a cause or a consequence of the neurodegeneration observed in these pathologies, it is still debatable. This paper describes the process of aggregation of two proteins: huntingtin and α synuclein. The characteristics of the aggregation reaction of these proteins have been followed with novel methods both in vivo and in vitro; these studies include both the combination with other proteins and the presence of various chemical compounds. The ultimate goal of this study was to summarize recent findings on protein aggregation and its possible role as a therapeutic target in neurodegenerative diseases and their role in biomaterial science.

  13. Thermochemical ablation therapy of VX2 tumor using a permeable oil-packed liquid alkali metal.

    Directory of Open Access Journals (Sweden)

    Ziyi Guo

    Full Text Available Alkali metal appears to be a promising tool in thermochemical ablation, but, it requires additional data on safety is required. The objective of this study was to explore the effectiveness of permeable oil-packed liquid alkali metal in the thermochemical ablation of tumors.Permeable oil-packed sodium-potassium (NaK was prepared using ultrasonic mixing of different ratios of metal to oil. The thermal effect of the mixture during ablation of muscle tissue ex vivo was evaluated using the Fluke Ti400 Thermal Imager. The thermochemical effect of the NaK-oil mixture on VX2 tumors was evaluated by performing perfusion CT scans both before and after treatment in 10 VX2 rabbit model tumors. VX2 tumors were harvested from two rabbits immediately after treatment to assess their viability using trypan blue and hematoxylin and eosin (H.E. staining.The injection of the NaK-oil mixture resulted in significantly higher heat in the ablation areas. The permeable oil controlled the rate of heat released during the NaK reaction with water in the living tissue. Perfusion computed tomography and its parameter map confirmed that the NaK-oil mixture had curative effects on VX2 tumors. Both trypan blue and H.E. staining showed partial necrosis of the VX2 tumors.The NaK-oil mixture may be used successfully to ablate tumor tissue in vivo. With reference to the controlled thermal and chemical lethal injury to tumors, using a liquid alkali in ablation is potentially an effective and safe method to treat malignant tumors.

  14. Evaluation of Chromogenic Reaction Ability of Hydrochloric Acid (Sulfuric Acid)-vanillin by the Colorimetry for Determining Tea Catechins Aggregates%茶叶儿茶素总量比色测定的盐酸(硫酸)香草醛显色反应能力评价

    Institute of Scientific and Technical Information of China (English)

    单虹丽; 卿钰; 杜晓; 刘东娜


    Chromogenic reaction level of catechins from the green tea and the black tea with hydrochloric acid (sulfuric acid-vanillin)-vanillin was determined in this paper. By determining and comparing the reaction coefficient, accuracy and precision, the color reaction ability of catechins reacted with acid vanillin was evaluated. The results showed that the reaction system was sensitive to catechins with a high linear correlation(R2HA =0.9976 ±0.001 4, R2SA =0.9978 ±0.001 8). It was also seen that the chromogenic reaction coefficients from both systems were less than the Roberts coefficient (145.68) obtained from the empirical formula for calculating catechins aggregates. The recoveries from both system were more than 94.22 % and all the variation coefficient of precision were less than 0.08 %. This showed that both systems could determinate tea catechins aggregates. The chromogenic capability of tea catechins from different sources with acid-Vanillin was very different from each other (F = 37. 434 > F0.01(1,5) =6.61). This results showed that two kinds of reaction systems could objectively reflect tea catechins aggregates. However, both recoveries and variation coefficient from the empirical formula were instable and the total catechins aggregates was higher than the reality.%测定了茶叶儿茶素及绿茶、红茶中的儿茶素与盐酸(硫酸)-香草醛的显色反应水平,通过对反应系数、准确度、精密度测定和比较,评价了儿茶素与酸性香草醛的显色反应能力.结果表明:两种酸性体系对儿茶素反应灵敏,且呈高度线性相关(R2盐酸=0.9976±0.0014,R2硫酸=0.9978±0.0018);显色反应系数上,盐酸法为34.77±10.00(绿茶)、83.83±20.13(红茶);硫酸法为39.65±8.97(绿茶)、86.68±19.87(红茶),均低于茶叶儿茶素总量经验计算公式中Roberts系数(145.68).盐酸-香草醛显色反应体系的回收率为94.22%±3.33%(绿茶)、99.71%±1.39%(红茶),精密度的变异系数为0.08

  15. Maternal exposure to alkali, alkali earth, transition and other metals: Concentrations and predictors of exposure. (United States)

    Hinwood, A L; Stasinska, A; Callan, A C; Heyworth, J; Ramalingam, M; Boyce, M; McCafferty, P; Odland, J Ø


    Most studies of metals exposure focus on the heavy metals. There are many other metals (the transition, alkali and alkaline earth metals in particular) in common use in electronics, defense industries, emitted via combustion and which are naturally present in the environment, that have received limited attention in terms of human exposure. We analysed samples of whole blood (172), urine (173) and drinking water (172) for antimony, beryllium, bismuth, cesium, gallium, rubidium, silver, strontium, thallium, thorium and vanadium using ICPMS. In general most metals concentrations were low and below the analytical limit of detection with some high concentrations observed. Few factors examined in regression models were shown to influence biological metals concentrations and explained little of the variation. Further study is required to establish the source of metals exposures at the high end of the ranges of concentrations measured and the potential for any adverse health impacts in children.

  16. Aggregate resources in the Netherlands

    NARCIS (Netherlands)

    Meulen, M.J. van der; Gessel, S.F. van; Veldkamp, J.G.


    We have built a 3D lithological model of the Netherlands, for the purpose of mapping on-land aggregate resources down to 50 m below the surface. The model consists of voxel cells (1000 · 1000 · 1 m), with lithological composition and aggregate content estimates as primary attributes. These attribute

  17. Exciton dynamics in molecular aggregates

    NARCIS (Netherlands)

    Augulis, R.; Pugžlys, A.; Loosdrecht, P.H.M. van; Pugzlys, A


    The fundamental aspects of exciton dynamics in double-wall cylindrical aggregates of cyanine dyes are studied by means of frequency resolved femtosecond pump-probe spectroscopy. The collective excitations of the aggregates, resulting from intermolecular dipole-dipole interactions have the characteri

  18. Characterization of alkali-modified soy protein concentrate

    Directory of Open Access Journals (Sweden)

    Barać Miroljub B.


    Full Text Available To study the influence of the preparation mode, including mild alkali modification, of soy protein concentrate on soluble protein content and composition, some of its nutritive and functional properties were investigated. Soy protein concentrate prepared by aqueous alcohol leaching was modified in mild alkaline solutions (pH 8.0 at 40, 50 and 60° C for 60 minutes and compared with two principal types of commercial soy protein concentrate. Soluble protein content, composition and properties of soy protein concentrate, as well as their potential use are essentially determined by the preparation mode. Limited mild alkali hydrolysis increased protein solubility by 40-71%, while emulsion stability was increased by 18-56%. Major storage soybean proteins exhibited different stability to alcohol denaturation and mild alkali modification. The most susceptible were acidic -A3 - and -A5- subunits of glycinin.

  19. Orbital Feshbach Resonance in Alkali-Earth Atoms. (United States)

    Zhang, Ren; Cheng, Yanting; Zhai, Hui; Zhang, Peng


    For a mixture of alkali-earth atomic gas in the long-lived excited state ^{3}P_{0} and the ground state ^{1}S_{0}, in addition to nuclear spin, another "orbital" index is introduced to distinguish these two internal states. In this Letter we propose a mechanism to induce Feshbach resonance between two atoms with different orbital and nuclear spin quantum numbers. Two essential ingredients are the interorbital spin-exchange process and orbital dependence of the Landé g factors. Here the orbital degrees of freedom plays a similar role as the electron spin degree of freedom in magnetic Feshbach resonance in alkali-metal atoms. This resonance is particularly accessible for the ^{173}Yb system. The BCS-BEC crossover in this system requires two fermion pairing order parameters, and displays a significant difference compared to that in an alkali-metal system.

  20. Oscillation Frequencies for Simultaneous Trapping of Heteronuclear Alkali Atoms

    CERN Document Server

    Kaur, Kiranpreet; Arora, Bindiya


    We investigate oscillation frequencies for simultaneous trapping of more than one type of alkali atoms in a common optical lattice. For this purpose, we present numerical results for magic trapping conditions, where the oscillation frequencies for two different kind of alkali atoms using laser lights in the wavelength range 500-1200 nm are same. These wavelengths will be of immense interest for studying static and dynamic properties of boson-boson, boson-fermion, fermion-fermion, and boson-boson-boson mixtures involving different isotopes of Li, Na, K, Rb, Cs and Fr alkali atoms. In addition to this, we were also able to locate a magic wavelength around 808.1 nm where all the three Li, K, and Rb atoms are found to be suitable for oscillating at the same frequency in a common optical trap.

  1. Properties of Hooked Steel Fibers Reinforced Alkali Activated Material Concrete

    Directory of Open Access Journals (Sweden)

    Faris M. A.


    Full Text Available In this study, alkali activated material was produced by using Class F fly ash from Manjung power station, Lumut, Perak, Malaysia. Fly ash then was activated by alkaline activator which is consisting of sodium silicate (Na2SiO3 and sodium hydroxide (NaOH. Hooked end steel fibers were added into the alkali activated material system with percentage vary from 0 % – 5 %. Chemical compositions of fly ash were first analyzed by using x-ray fluorescence (XRF. All hardened alkali activated material samples were tested for density, workability, and compression after 28 days. Results show a slight increase of density with the addition of steel fibers. However, the workability was reduced with the addition of steel fibers content. Meanwhile, the addition of steel fibers shows the improvement of compressive strength which is about 19 % obtained at 3 % of steel fibers addition.

  2. Neuropsychiatric manifestations of alkali metal deficiency and excess

    Energy Technology Data Exchange (ETDEWEB)

    Yung, C.Y.


    The alkali metals from the Group IA of the periodic table (lithium, sodium, potassium, rubidium, cesium and francium) are reviewed. The neuropsychiatric aspects of alkali metal deficiencies and excesses (intoxications) are described. Emphasis was placed on lithium due to its clinical uses. The signs and symptoms of these conditions are characterized by features of an organic brain syndrome with delirium and encephalopathy prevailing. There are no clinically distinctive features that could be reliably used for diagnoses. Sodium and potassium are two essential alkali metals in man. Lithium is used as therapeutic agent in bipolar affective disorders. Rubidium has been investigated for its antidepressant effect in a group of psychiatric disorders. Cesium is under laboratory investigation for its role in carcinogenesis and in depressive illness. Very little is known of francium due to its great instability for experimental study.

  3. Low-frequency Raman scattering in alkali tellurite glasses

    Indian Academy of Sciences (India)

    Angelos G Kalampounias


    Raman scattering has been employed to study the alkali-cation size dependence and the polarization characteristics of the low-frequency modes for the glass-forming tellurite mixtures, 0.1M2O–0.9TeO2 (M = Na, K, Rb and Cs). The analysis has shown that the Raman coupling coefficient alters by varying the type of the alkali cation. The addition of alkali modifier in the tellurite network leads to the conversion of the TeO4 units to TeO3 units with a varying number of non-bridging oxygen atoms. Emphasis has also been given to the lowfrequency modes and particular points related to the low-frequency Raman phenomenology are discussed in view of the experimental findings.

  4. Dye Aggregation in Ink Jet

    Institute of Scientific and Technical Information of China (English)

    Thomas Paul; Sarfraz Hussain


    Dye aggregation has long been recognised as a key factor in performance, and this is no less so in ink jet applications. The aggregation state was shown to be important in many different areas ranging from the use of dyes in photodynamic therapies all the way to colorants for dying of fabrics. Therefore different methods to investigate dye association qualitatively and quantitatively were developed. A simple procedure to study aggregation could be a useful tool to characterise dyes for ink jet printing. It is critically reviewed the methods used to study dye aggregation, and discussed some of the main conclusions. This will be illustrated by examples of ink jet dye aggregation and its study in aqueous and ink systems. The results are used to correlate the solution behaviour of dyes with their print performance.


    Institute of Scientific and Technical Information of China (English)

    F.; Einar; Kruis


    A new procedure was developed for estimating the effective collision diameter of an aggregate composed of primary particles of any size. The coagulation coefficient of two oppositely charged particles was measured experimentally and compared with classic Fuchs theory, including a new method to account for particle non-sphericity. A second set of experiments were performed on well-defined nanoparticle aggregates at different stages of sintering, i.e. from the aggregate to the fully sintered stage. Here, electrical mobility was used to characterize the particle drag. The aggregates are being built from two different size-fractionated nanoparticle aerosols, the non-aggregated particles are discarded by an electrofilter and then they are passed through a furnace at concentrations low enough not to induce coagulation.

  6. Optical monitoring of particle aggregates

    Institute of Scientific and Technical Information of China (English)

    John Gregory


    Methods for monitoring particle aggregation are briefly reviewed. Most of these techniques are based on some form of light scattering and may be greatly dependent on the optical properties of aggregates, which are not generally known. As fractal aggregates grow larger their density can become very low and this has important practical consequences for light scattering. For instance, the scattering coefficient may be much less than for solid objects, which means that the aggregates can appear much smaller than their actual size by a light transmission method. Also, for low-density objects, a high proportion of the scattered light energy is within a small angle of the incident beam, which may also be relevant for measurements with aggregates.Using the 'turbidity fluctuation' technique as an example, it is shown how the apparent size of hydroxide flocs depends mainly on the included impurity particles, rather than the hydroxide precipitate itself. Results using clay suspensions with hydrolyzing coagulants and under are discussed.

  7. Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

    Institute of Scientific and Technical Information of China (English)

    FANG,Yu; YIN,Yi-Qing; 等


    The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques.It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes.The aggregates are not solvolyzed in acetone,and do not take part n any chemical reactions either.It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone.The aggregation is reversible,and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.

  8. Kinetics and Mechanism of Oxidation of t-Butylbenzylamine by Diperiodatoargentate(III in Aqueous Alkali

    Directory of Open Access Journals (Sweden)

    Mahantesh A. Angadi


    Full Text Available t-Butylbenzylamine (t-BA is used as a free base in the synthesis of salbutamol drug. Its mechanism of oxidation was proposed from kinetic studies. The kinetics of oxidation of t-butylbenzylamine by diperiodatoargentate(III (DPA was studied spectrophotometrically by monitoring decrease in absorbance of DPA. The reaction was found to be first order each in [DPA] and [t-BA]. The effect of alkali concentration in a wide range on rate of reaction was studied. The rate of reaction was found to be increased with increase in [OH–] in the lower range of [OH–], decreasing effect in the middle range and at higher range again increasing effect on rate of reaction was observed. The added periodate retarded the rate of reaction. The polymerization test revealed that oxidation was occurred with the intervention free radical. A suitable mechanism was proposed for a middle range of [OH–]. The active species of silver(III periodate for all the three different stages of [OH–] are assayed. Rate law was derived and verified. The oxidative product of t-BA was characterized by LC-ESI-MS spectra.


    NARCIS (Netherlands)



    Catalysis of organic reactions by unfunctionalized surfactant aggregates (micelles, vesicles) in aqueous solution is largely determined by medium effects induced at the micellar binding sites and by entropy effects due to compartimentalization. The efficiency of these catalytic effects responds to c

  10. A hidden history of heartburn: The milk-alkali syndrome. (United States)

    Swaminathan, Krishnan


    Milk-alkali syndrome was once considered to be of historic interest and a rare cause of hypercalcemia. Currently, it should be an important consideration in the differential diagnosis of hypercalcemia, after malignancies and primary hyperparathyroidism. The resurgence is in part due to the easy availability of over the counter (OTC) calcium preparations. We describe a 50-year-old man who presented with severe hypercalcemia on two occasions associated with renal failure and metabolic alkalosis. Extensive investigations during the first admission failed to unravel a specific cause of hypercalcemia but a thorough history during his subsequent admission helped to confirm the diagnosis of milk-alkali syndrome.


    Institute of Scientific and Technical Information of China (English)

    LIU Xianfan; YANG Zhengxi; LIU Jiaduo; ZHANG Chengjiang; WU Dechao; LI Youguo


    Ultramafic hypoxenoliths found in the alkali-rich porphyry in the Liuhe Village, Heqing, Yunnan,China, are of great significance in understanding the origin and evolution of the porphyry. This paper discusses the mineralogical features of the hypoxenoliths. It shows that the xenoliths are characterized by the upper mantle rocks modified to certain extent by the enriched mantle fluid metasomatism in the mantle environment, with the enriched mantle property of Iow-degree partial melting. This constitutes the important mineralogical evidence for the petrogenesis and mineralization of alkali-rich porphyry.

  12. Upgrading of petroleum oil feedstocks using alkali metals and hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard


    A method of upgrading an oil feedstock by removing heteroatoms and/or one or more heavy metals from the oil feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase separable from the organic oil feedstock material. The upgradant hydrocarbon bonds to the oil feedstock material and increases the number of carbon atoms in the product. This increase in the number of carbon atoms of the product increases the energy value of the resulting oil feedstock.

  13. Perspectives on Preference Aggregation. (United States)

    Regenwetter, Michel


    For centuries, the mathematical aggregation of preferences by groups, organizations, or society itself has received keen interdisciplinary attention. Extensive theoretical work in economics and political science throughout the second half of the 20th century has highlighted the idea that competing notions of rational social choice intrinsically contradict each other. This has led some researchers to consider coherent democratic decision making to be a mathematical impossibility. Recent empirical work in psychology qualifies that view. This nontechnical review sketches a quantitative research paradigm for the behavioral investigation of mathematical social choice rules on real ballots, experimental choices, or attitudinal survey data. The article poses a series of open questions. Some classical work sometimes makes assumptions about voter preferences that are descriptively invalid. Do such technical assumptions lead the theory astray? How can empirical work inform the formulation of meaningful theoretical primitives? Classical "impossibility results" leverage the fact that certain desirable mathematical properties logically cannot hold in all conceivable electorates. Do these properties nonetheless hold true in empirical distributions of preferences? Will future behavioral analyses continue to contradict the expectations of established theory? Under what conditions do competing consensus methods yield identical outcomes and why do they do so?

  14. Alkali metal control over N-N cleavage in iron complexes. (United States)

    Grubel, Katarzyna; Brennessel, William W; Mercado, Brandon Q; Holland, Patrick L


    Though N2 cleavage on K-promoted Fe surfaces is important in the large-scale Haber-Bosch process, there is still ambiguity about the number of Fe atoms involved during the N-N cleaving step and the interactions responsible for the promoting ability of K. This work explores a molecular Fe system for N2 reduction, particularly focusing on the differences in the results obtained using different alkali metals as reductants (Na, K, Rb, Cs). The products of these reactions feature new types of Fe-N2 and Fe-nitride cores. Surprisingly, adding more equivalents of reductant to the system gives a product in which the N-N bond is not cleaved, indicating that the reducing power is not the most important factor that determines the extent of N2 activation. On the other hand, the results suggest that the size of the alkali metal cation can control the number of Fe atoms that can approach N2, which in turn controls the ability to achieve N2 cleavage. The accumulated results indicate that cleaving the triple N-N bond to nitrides is facilitated by simultaneous approach of least three low-valent Fe atoms to a single molecule of N2.

  15. IRMPD action spectroscopy of alkali metal cation-cytosine complexes: effects of alkali metal cation size on gas phase conformation. (United States)

    Yang, Bo; Wu, R R; Polfer, N C; Berden, G; Oomens, J; Rodgers, M T


    The gas-phase structures of alkali metal cation-cytosine complexes generated by electrospray ionization are probed via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical calculations. IRMPD action spectra of five alkali metal cation-cytosine complexes exhibit both similar and distinctive spectral features over the range of ~1000-1900 cm(-1). The IRMPD spectra of the Li(+)(cytosine), Na(+)(cytosine), and K(+)(cytosine) complexes are relatively simple but exhibit changes in the shape and shifts in the positions of several bands that correlate with the size of the alkali metal cation. The IRMPD spectra of the Rb(+)(cytosine) and Cs(+)(cytosine) complexes are much richer as distinctive new IR bands are observed, and the positions of several bands continue to shift in relation to the size of the metal cation. The measured IRMPD spectra are compared to linear IR spectra of stable low-energy tautomeric conformations calculated at the B3LYP/def2-TZVPPD level of theory to identify the conformations accessed in the experiments. These comparisons suggest that the evolution in the features in the IRMPD action spectra with the size of the metal cation, and the appearance of new bands for the larger metal cations, are the result of the variations in the intensities at which these complexes can be generated and the strength of the alkali metal cation-cytosine binding interaction, not the presence of multiple tautomeric conformations. Only a single tautomeric conformation is accessed for all five alkali metal cation-cytosine complexes, where the alkali metal cation binds to the O2 and N3 atoms of the canonical amino-oxo tautomer of cytosine, M(+)(C1).

  16. 40 CFR 721.4663 - Fluorinated carboxylic acid alkali metal salts. (United States)


    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fluorinated carboxylic acid alkali... Specific Chemical Substances § 721.4663 Fluorinated carboxylic acid alkali metal salts. (a) Chemical... fluorinated carboxylic acid alkali metal salts (PMNs P-95-979/980/981) are subject to reporting under...

  17. Formation of alkali-metal nanoparticles in alkali-silicate glasses under electron irradiation and thermal processing (United States)

    Bochkareva, E. S.; Sidorov, A. I.; Ignat'ev, A. I.; Nikonorov, N. V.; Podsvirov, O. A.


    Experiments and numerical simulation show that the irradiation of alkali-containing glasses using electrons at an energy of 35 keV and the subsequent thermal processing at a temperature above the vitrification point lead to the formation of spherical metal (lithium, sodium, and potassium) nanoparticles with oxide sheaths that exhibit plasmon resonances in the visible spectral range. Glasses containing two alkali metals exhibit mutual effect of metals on the formation of nanoparticles with two compositions due to the difference of ion radii and mobilities of metal ions.

  18. Biodiesel synthesis from cottonseed oil using homogeneous alkali catalyst and using heterogeneous multi walled carbon nanotubes: Characterization and blending studies

    Directory of Open Access Journals (Sweden)

    A. Arun Shankar


    Full Text Available The trans-esterification of cottonseed oil using strong alkali catalyst and using multi walled carbon nano tubes as catalyst to produce biodiesel was studied. The interaction effects of various factors such as temperature, amount of alkali used, alcohol to oil ratio and reaction time on yield of biodiesel were studied. The maximum yield of 95% biodiesel was obtained. The biodiesel produced was characterized using FT-IR spectral analysis and GC–MS analysis to ascertain the various functional groups and compounds available in it. The properties of biodiesel using homogeneous alkali catalyst and heterogeneous multi walled carbon nanotubes such as calorific value (36.18 MJ/kg, 33.78 MJ/kg, flash point (160 °C, 156 °C and other properties such as viscosity, cloud point, pour point and density were found to determine the quality of biodiesel produced. The studies were done by blending the biodiesel produced with diesel and properties of blended samples were estimated to ascertain the use of blended samples in internal combustion engines.

  19. Alkali-Activated Geopolymers: A Literature Review (United States)


    stated that the main reaction product of hardened AAS paste is C-S-H, followed by hydrotalcite , hydrogarnet, tetracalium aluminate hydrate...hydration product. The hydrotalcite , hydrogarnet and ettringite are formed through the combination of the aluminum present in the slag and MgO, Fe2O3...AA-S specimen additional revealed hydrotalcite seen as six-coordinated aluminum. This was confirmed via x-ray diffraction. Regardless, the overall

  20. Thermobarometry for spinel lherzolite xenoliths in alkali basalts (United States)

    Ozawa, Kazuhito; Youbi, Nasrrddine; Boumehdi, Moulay Ahmed; Nagahara, Hiroko


    geothermobarometry based on reactions with large and distinct volume changes, is necessary. Specification of mineral domains and their components representing the thermal state of the mantle just before xenolith extraction is one of the major tasks for the establishment of reliable geothermobarometry for spinel lherzolite xenoliths. Systematic variations of such mineralogical information among xenoliths transported by a single volcanic eruption guarantees proper estimation of a mantle geotherm. For the development of such geobarometry, it is important to choose appropriate xenolith locality, where previous studies provide enough information and where many xenolith samples are available for extending a range of derivation depth. Spinel lherzolite xenoliths in alkali basalts from Bou Ibalhatene maars in the Middle Atlas in Morocco are suitable study target. Geochemical, geochronological, petrological, and rheological aspects of the spinel lherzolite xenoliths have been studied (Raffone et al. 2009; El Messbahi et al., 2015; Witting et al., 2010; El Azzouzi et al., 2010), which show that they represent fragments of the lithospheric mantle formed and modified since 1.7Ga before their extraction from Miocene to recent. We have pinpointed portions of minerals in the xenolith samples and their components representing condition just before their entrapment in magmas, on which appropriate geothermobarometers are applied and detected ~0.5GPa pressure difference (1.5-2.0GPa) for ~100°C variation in temperatures (950-1050°C).

  1. A new mechanism for radiation damage processes in alkali halides

    NARCIS (Netherlands)

    Dubinko, V.I.; Turkin, A.A.; Vainshtein, D.I.; Hartog, H.W. den


    We present a theory of radiation damage formation in alkali halides based on a new mechanism of dislocation climb, which involves the production of VF centers (self-trapped hole neighboring a cation vacancy) as a result of the absorption of H centers of dislocation lines. We consider the evolution o

  2. Powder X-ray diffraction study af alkali alanates

    DEFF Research Database (Denmark)

    Cao, Thao; Mosegaard Arnbjerg, Lene; Jensen, Torben René

    for mobile applications, new materials with high gravimetric and volumetric storage capacity of hydrogen have to be developed. Alkali alanates are promising for hydrogen storage materials. Sodium alanate stores hydrogen reversibly at moderate conditions when catalysed with, e.g. titanium, whereas potassium...

  3. Alkali and Halogen Chemistry in Volcanic Gases on Io

    CERN Document Server

    Schaefer, L


    We use chemical equilibrium calculations to model the speciation of alkalis and halogens in volcanic gases emitted on Io. The calculations cover wide temperature (500-2000 K) and pressure (10^-6 to 10^+1 bars) ranges, which overlap the nominal conditions at Pele (T = 1760 K, P = 0.01 bars). About 230 compounds of 11 elements (O, S, Li, Na, K, Rb, Cs, F, Cl, Br, I) are considered. We predict the major alkali and halogen species in a Pele-like volcanic gas and the major alklai and halogen condensates. We also model disequilibrium chemistry of the alkalis and halogens in the volcanic plume. Based on this work and our prior modeling for Na, K, and Cl in a volcanic plume, we predict the major loss processes for the alkali halide gases are photolysis and/or condensation onto grains. On the basis of elemental abundances and photochemical lifetimes, we recommend searching for gaseous KCl, NaF, LiF, LiCl, RbF, RbCl, CsF, and CsCl around volcanic vents during eruptions. Based on abundance considerations and observation...

  4. Chlor-Alkali Industry: A Laboratory Scale Approach (United States)

    Sanchez-Sanchez, C. M.; Exposito, E.; Frias-Ferrer, A.; Gonzalez-Garaia, J.; Monthiel, V.; Aldaz, A.


    A laboratory experiment for students in the last year of degree program in chemical engineering, chemistry, or industrial chemistry is presented. It models the chlor-alkali process, one of the most important industrial applications of electrochemical technology and the second largest industrial consumer of electricity after aluminium industry.

  5. Influence of temperature on alkali stress adaptation in Listeria monocytogenes (United States)

    Listeria monocytogenes cells may induce alkali stress adaptation when exposed to sublethal concentrations of alkaline cleaners and sanitizers that may be frequently used in the food processing environment. In the present study, the effect of temperature on the induction and the stability of such alk...

  6. Biogenic silica dissolution in diatom aggregates: insights from reactive transport modelling

    KAUST Repository

    Moriceau, B


    © Inter-Research 2014. Diatom aggregates contribute significantly to the vertical sinking flux of particulate matter in the ocean. These fragile structures form a specific microhabitat for the aggregated cells, but their internal chemical and physical characteristics remain largely unknown. Studies on the impact of aggregation on the Si cycle led to apparent inconsistency. Despite a lower biogenic silica (bSiO2) dissolution rate and diffusion of the silicic acid (dSi) being similar in aggregates and in sea-water, dSi surprisingly accumulates in aggregates. A reaction-diffusion model helps to clarify this incoherence by reconstructing dSi accumulation measured during batch experiments with aggregated and non-aggregated Skeletonema marinoi and Chaetoceros decipiens. The model calculates the effective bSiO2 dissolution rate as opposed to the experimental apparent bSiO2 dissolution rate, which is the results of the effective dissolution of bSiO2 and transport of dSi out of the aggregate. In the model, dSi transport out of the aggregate is modulated by alternatively considering retention (decrease of the dSi diffusion constant) and adsorption (reversible chemical bonds between dSi and the aggregate matrix) processes. Modelled bSiO2 dissolution is modulated by the impact of dSi concentration inside aggregates and diatom viability, as enhanced persistence of metabolically active diatoms has been observed in aggregates. Adsorption better explains dSi accumulation within and outside aggregates, raising the possible importance of dSi travelling within aggregates to the deep sea (potentially representing 20% of the total silica flux). The model indicates that bSiO2 dissolution is effectively decreased in aggregates mainly due to higher diatom viability but also to other parameters discussed herein.

  7. Dependability in Aggregation by Averaging

    CERN Document Server

    Jesus, Paulo; Almeida, Paulo Sérgio


    Aggregation is an important building block of modern distributed applications, allowing the determination of meaningful properties (e.g. network size, total storage capacity, average load, majorities, etc.) that are used to direct the execution of the system. However, the majority of the existing aggregation algorithms exhibit relevant dependability issues, when prospecting their use in real application environments. In this paper, we reveal some dependability issues of aggregation algorithms based on iterative averaging techniques, giving some directions to solve them. This class of algorithms is considered robust (when compared to common tree-based approaches), being independent from the used routing topology and providing an aggregation result at all nodes. However, their robustness is strongly challenged and their correctness often compromised, when changing the assumptions of their working environment to more realistic ones. The correctness of this class of algorithms relies on the maintenance of a funda...

  8. Aggregating and Disaggregating Flexibility Objects

    DEFF Research Database (Denmark)

    Siksnys, Laurynas; Valsomatzis, Emmanouil; Hose, Katja


    In many scientific and commercial domains we encounter flexibility objects, i.e., objects with explicit flexibilities in a time and an amount dimension (e.g., energy or product amount). Applications of flexibility objects require novel and efficient techniques capable of handling large amounts...... energy data management and discuss strategies for aggregation and disaggregation of flex-objects while retaining flexibility. This paper further extends these approaches beyond flex-objects originating from energy consumption by additionally considering flex-objects originating from energy production...... and aiming at energy balancing during aggregation. In more detail, this paper considers the complete life cycle of flex-objects: aggregation, disaggregation, associated requirements, efficient incremental computation, and balance aggregation techniques. Extensive experiments based on real-world data from...

  9. Pore solution chemistry of alkali-activated ground granulated blast-furnace slag

    Energy Technology Data Exchange (ETDEWEB)

    Song, S.; Jennings, H.M. [Northwestern Univ., Evanston, IL (United States)


    The chemical composition and pH of the pore solution extracted from six different ground granulated blast-furnace slag (GGBFS) pastes were determined. The concentrations of Si, Ca, Al, and Mg are functions of the pH of the aqueous phase, with high pH associated with the higher concentrations of Si and Al and the lower concentrations of Ca and Mg. When GGBFS is mixed with an aqueous phase with pH higher than 11.5, the reaction is activated or accelerated. The main hydration product was identified as C-S-H, and hydrotalcite, at later stages of hydration, was observed in the pastes with an aqueous phase of a high pH. The effect of pore solution on the alkali activation of GGBFS is discussed with reference to the hydration products.

  10. Alkali treated Foumanat tea waste as an efficient adsorbent for methylene blue adsorption from aqueous solution

    Directory of Open Access Journals (Sweden)

    Azadeh Ebrahimian Pirbazari


    Full Text Available The adsorption of methylene blue (MB from aqueous solution by alkali treated Foumanat tea waste (ATFTW from agriculture biomass was investigated. The adsorbent was characterized by Scanning Electron Microscopy (SEM, Fourier Transform-Infrared Spectroscopy (FT-IR and nitrogen physisorption. FTIR results showed complexation and ion exchange appear to be the principle mechanism for MB adsorption. The adsorption isotherm data were fitted to Langmuir, Sips, Redlich-Peterson and Freundlich equations, and the Langmuir adsorption capacity, Qmax was found to be 461 mgg−1. It was found that the adsorption of MB increases by increasing temperature from 303 to 323 K and the process is endothermic in nature. The removal of MB by ATFTW followed pseudo-second order reaction kinetics based on Lagergren equations. Mechanism studies indicated that the adsorption of MB on the ATFTW was mainly governed by external mass transport where particle diffusion was the rate limiting step.

  11. Reinforcement of rubber by fractal aggregates (United States)

    Witten, T. A.; Rubinstein, M.; Colby, R. H.


    Rubber is commonly reinforced with colloidal aggregates of carbon or silica, whose structure has the scale invariance of a fractal object. Reinforced rubbers support large stresses, which often grow faster than linearly with the strain. We argue that under strong elongation the stress arises through lateral compression of the aggregates, driven by the large bulk modulus of the rubber. We derive a power-law relationship between stress and elongation λ when λgg 1. The predicted power p depends on the fractal dimension D and a second structural scaling exponent C. For diffusion-controlled aggregates this power p should lie beween 0.9 and 1.1 ; for reaction-controlled aggregates p should lie between 1.8 and 2.4. For uniaxial compression the analogous powers lie near 4. Practical rubbers filled with fractal aggregates should approach the conditions of validity for these scaling laws. On renforce souvent le caoutchouc avec des agrégats de carbone ou de silice dont la structure a l'invariance par dilatation d'un objet fractal. Les caoutchoucs ainsi renforcés supportent de grandes contraintes qui croissent souvent plus vite que l'élongation. Nous prétendons que, sous élongation forte, cette contrainte apparaît à cause d'une compression latérale des agrégats induite par le module volumique important du caoutchouc. Nous établissons une loi de puissance reliant la contrainte et l'élongation λ quand λgg 1. Cet exposant p dépend de la dimension fractale D et d'un deuxième exposant structural C. Pour des agrégats dont la cinétique de formation est limitée par diffusion, p vaut entre 0,9 et 1,1. Si la cinétique est limitée par le soudage local des particules, p vaut entre 1,8 et 2,4. Sous compression uniaxiale, les puissances homologues valent environ 4. Des caoutchoucs pratiques chargés de tels agrégats devraient approcher des conditions où ces lois d'échelle sont valables.

  12. NOvel Refractory Materials for High Alkali, High Temperature Environments

    Energy Technology Data Exchange (ETDEWEB)

    Hemrick, J.G.; Griffin, R. (MINTEQ International, Inc.)


    Refractory materials can be limited in their application by many factors including chemical reactions between the service environment and the refractory material, mechanical degradation of the refractory material by the service environment, temperature limitations on the use of a particular refractory material, and the inability to install or repair the refractory material in a cost effective manner or while the vessel was in service. The objective of this project was to address the need for new innovative refractory compositions by developing a family of novel MgO-Al2O3 spinel or other similar magnesia/alumina containing unshaped refractory composition (castables, gunnables, shotcretes, etc) utilizing new aggregate materials, bond systems, protective coatings, and phase formation techniques (in-situ phase formation, altered conversion temperatures, accelerated reactions, etc). This family of refractory compositions would then be tailored for use in high-temperature, highalkaline industrial environments like those found in the aluminum, chemical, forest products, glass, and steel industries. A research team was formed to carry out the proposed work led by Oak Ridge National Laboratory (ORNL) and was comprised of the academic institution Missouri University of Science and Technology (MS&T), and the industrial company MINTEQ International, Inc. (MINTEQ), along with representatives from the aluminum, chemical, glass, and forest products industries. The two goals of this project were to produce novel refractory compositions which will allow for improved energy efficiency and to develop new refractory application techniques which would improve the speed of installation. Also methods of hot installation were sought which would allow for hot repairs and on-line maintenance leading to reduced process downtimes and eliminating the need to cool and reheat process vessels.

  13. Comparative Study of Alkali-Activated Fly Ash Manufactured Under Pulsed Microwave Curing and Thermal Oven Curing


    Shi, Shi; Bai, Yun; Li, H.; Xu, D. L.; Basheer, P. A. Muhammed


    This paper compares the alkali-activated fly ash (AAFA) manufactured with thermal oven curing and pulsed microwave curing methods. Fly ash activated by 8M NaOH solution at a liquid to solid ratio of 0.3 was cured by thermal oven at 85°C and domestic microwave oven, respectively. Apart from compressive strength test, the temperature profiles of AAFA samples were captured by thermal camera. Reaction products of AAFA were characterised with XRD, FTIR and TG/DTG, while the microstructure of AAFA ...

  14. Syntheses and Structures of Alkali Metal Rare Earth Polyphosphates CsLn(PO3)4 (Ln = La, Ce)

    Institute of Scientific and Technical Information of China (English)

    ZHU Jing; CHENG Wen-Dan; ZHANG Hao; WU Dong-Sheng; ZHAO Dan


    Alkali metal-rare earth polyphosphates, CsLn(PO3)4 (Ln = La, Ce), were synthesized by the high temperature solution reaction and studied by single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group P21 (Z = 2) and feature infinite PO4 spiral chains linked with neighboring CsO10 and LnO8 polyhedra. In addition, theoretically calculated energy band structure and density of states (DOS) by the density functional theory(DFT) predict that the solid-state compound CsLa(PO3)4 possesses insulative character.

  15. Mechanistic and kinetic analysis of the oxidative dehydrogenation of ethane via novel supported alkali chloride catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Gaertner, C.; Veen, A.C. van; Lercher, J.A. [Technische Universitaet Muenchen (Germany). Catalysis Research Center


    The oxidative dehydrogenation of ethane over advanced catalysts is promising to selectively produce ethylene, an essential building block for the chemical industry. In this way, ethane from shale gas can be efficiently valorized. Supported alkali chloride catalysts are investigated in this work. Essential feature of those materials is the presence of a solid core (magnesium oxide in part doped with Dy{sub 2}O{sub 3}) covered under reaction conditions with a molten alkali chloride shell. It is shown that especially the lowered melting point of eutectic mixtures of LiCl with other alkali/alkaline earth metals is the key to taylor highly efficient materials. Elucidating the ODH reaction mechanism is essential to understand the reactivity of this novel catalyst class and provides the basis for improving performances. Information about elementary steps and the rate determining step were extracted from kinetic measurements, both in steady state and in transient configuration. Furthermore, isotopic labelling studies were performed, i.e. SSITKA studies and temperature programmed isotopic exchange experiments. Step experiments showed a significant oxygen uptake by the catalysts. Retained oxygen reacted quantitatively with ethane at nearly 100% selectivity to ethylene and conversion rates were comparable with rates observed during steady state operation. Thus, chemically bound oxygen in the melt is the active and selective intermediate in the ODH. Therefore, it is required to consider an intermediate and the activation is concluded to relate to the oxygen dissociation. The total concentration of stored oxygen can be correlated to the steady-state activity, while the viscosity of the melts mainly influences the selectivity towards ethene. Properties of the solid core impact on the catalyst efficiency suggesting that the oxygen species forms at the interface between support and overlayer. The quantity of retained oxygen additionally depends on the properties of the chloride

  16. Microstructural changes induced by CO2 exposure in alkali-activated slag/metakaolin pastes (United States)

    Bernal, Susan


    The structural changes induced by accelerated carbonation in alkali-activated slag/ metakaolin (MK) cements were determined. The specimens were carbonated for 540 h in an environmental chamber with a CO2 concentration of 1.0 ± 0.2%, a temperature of 20 ± 2ºC, and relative humidity of 65 ± 5 %. Accelerated carbonation led to decalcification of the main binding phase of these cements, which is an aluminium substituted calcium silicate hydrate (C-(N-)A-S-H) type gel, and the consequent formation of calcium carbonate. The sodium-rich carbonates trona (Na2CO3·NaHCO3·2H2O) and gaylussite (Na2Ca(CO3)2·5H2O) were identified in cements containing up to 10 wt.% MK as carbonation products. The formation of these carbonates is mainly associated with the chemical reaction between the CO2 and the free alkalis present in the pore solution. The structure of the carbonated cements is dominated by an aluminosilicate hydrate (N-A-S-H) type gel, independent of the MK content. The N-A-S-H type gels identified are likely to be derived both from the activation reaction of the MK, forming a low-calcium gel product which does not seem to undergo structural changes upon CO2 exposure, and the decalcification of C-(N-)A-S-H type gel. The carbonated pastes present a highly porous microstructure, more notable as the content of MK content in the cement increases, which might have a negative impact on the durability of these materials in service.

  17. Kinetics of alkali-based photocathode degradation (United States)

    Pavlenko, Vitaly; Liu, Fangze; Hoffbauer, Mark A.; Moody, Nathan A.; Batista, Enrique R.


    We report on a kinetic model that describes the degradation of the quantum efficiency (QE) of Cs3Sb and negative electron affinity (NEA) GaAs photocathodes under UHV conditions. In addition to the generally accepted irreversible chemical change of a photocathode's surface due to reactions with residual gases, such as O2, CO2, and H2O, the model incorporates an intermediate reversible physisorption step, similar to Langmuir adsorption. This intermediate step is needed to satisfactorily describe the strongly non-exponential QE degradation curves for two distinctly different classes of photocathodes -surface-activated and "bulk," indicating that in both systems the QE degradation results from surface damage. The recovery of the QE upon improvement of vacuum conditions is also accurately predicted by this model with three parameters (rates of gas adsorption, desorption, and irreversible chemical reaction with the surface) comprising metrics to better characterize the lifetime of the cathodes, instead of time-pressure exposure expressed in Langmuir units.

  18. Kinetics of alkali-based photocathode degradation

    Directory of Open Access Journals (Sweden)

    Vitaly Pavlenko


    Full Text Available We report on a kinetic model that describes the degradation of the quantum efficiency (QE of Cs3Sb and negative electron affinity (NEA GaAs photocathodes under UHV conditions. In addition to the generally accepted irreversible chemical change of a photocathode’s surface due to reactions with residual gases, such as O2, CO2, and H2O, the model incorporates an intermediate reversible physisorption step, similar to Langmuir adsorption. This intermediate step is needed to satisfactorily describe the strongly non-exponential QE degradation curves for two distinctly different classes of photocathodes –surface-activated and “bulk,” indicating that in both systems the QE degradation results from surface damage. The recovery of the QE upon improvement of vacuum conditions is also accurately predicted by this model with three parameters (rates of gas adsorption, desorption, and irreversible chemical reaction with the surface comprising metrics to better characterize the lifetime of the cathodes, instead of time-pressure exposure expressed in Langmuir units.

  19. Ash Aggregates in Proximal Settings (United States)

    Porritt, L. A.; Russell, K.


    Ash aggregates are thought to have formed within and been deposited by the eruption column and plume and dilute density currents and their associated ash clouds. Moist, turbulent ash clouds are considered critical to ash aggregate formation by facilitating both collision and adhesion of particles. Consequently, they are most commonly found in distal deposits. Proximal deposits containing ash aggregates are less commonly observed but do occur. Here we describe two occurrences of vent proximal ash aggregate-rich deposits; the first within a kimberlite pipe where coated ash pellets and accretionary lapilli are found within the intra-vent sequence; and the second in a glaciovolcanic setting where cored pellets (armoured lapilli) occur within Diamond Mine, Canada, are the residual deposits within the conduit and vent of the volcano and are characterised by an abundance of ash aggregates. Coated ash pellets are dominant but are followed in abundance by ash pellets, accretionary lapilli and rare cored pellets. The coated ash pellets typically range from 1 - 5 mm in diameter and have core to rim ratios of approximately 10:1. The formation and preservation of these aggregates elucidates the style and nature of the explosive phase of kimberlite eruption at A418 (and other pipes?). First, these pyroclasts dictate the intensity of the kimberlite eruption; it must be energetic enough to cause intense fragmentation of the kimberlite to produce a substantial volume of very fine ash (sustained plume attended by concomitant production of pyroclastic density currents. The size and internal structure of the armoured lapilli provide constraints on the nature of the initial explosive phase of eruption at Kima'Kho. Their proximity to the vent also indicates rapid aggregation within the eruption plume. Within both sequences rapid aggregation of ash particles occurred in proximity to the vent. However, the conditions were substantially different leading to the production of armoured

  20. Cloning of a Vacuolar H+-pyrophosphatase Gene from the Halophyte Suaeda corniculata whose Heterologous Overexpression Improves Salt,Saline-alkali and Drought Tolerance in Arabidopsis

    Institute of Scientific and Technical Information of China (English)

    Liang Liu; Ying Wang; Nan Wana; Yuan-Yuan Dong; Xiu-Duo Fan; Xiu-Ming Liu; Jing Yang


    Salt,saline-alkali conditions,and drought are major environmental factors limiting plant growth and productivity.The vacuolar H+-translocating inorganic pyrophosphatase (V-H+-PPase) is an electrogenic proton pump that translocates protons into vacuoles in plant cells.Expression of V-H+-PPase increases in plants under a number of abiotic stresses,and is thought to have an important role in adaptation to abiotic stress.In this work,we report the isolation and characterization of the gene,ScVP,encoding a vacuolar inorganic pyrophosphatase (V-H+-PPase) from the halophyte,Suaeda corniculata.Semiquantitative reverse transcription-polymerase chain reaction analysis showed that ScVP was induced in roots,stems and leaves under treatment with salt,saline-alkali and drought.Compared with wild-type (WT) Arabidopsis,transgenic plants overexpressing ScVP accumulated more Na+ in leaves and roots,and showed increased tolerance to high salinity,saline-alkali and drought stresses.The germination percentage of transgenic Arabidopsis seeds was higher than that of WT seeds under the abiotic stresses.The root length of transgenic plants under salt stress was longer than that of WT plants.Furthermore,the rate of water loss during drought stress was higher in WT than in transgenic plants.Collectively,these results indicate that ScVP plays an important role in plant tolerance to salt,saline-alkali and drought stress.

  1. Washing of Petroleum and Arsenic Contaminated Soil with Ultrasound and Alkali Phosphate Solution (United States)

    Lee, Jung Hwa; Kim, Jae Gon; Cho, Yong-chan; Chon, Chul-Min; Nam, In-Hyun; Keum, Mi Jung


    Soil washing of fine textured soil has been a challenging remedial strategy due to its low remediation efficiency. We adapted ultrasound and dispersion solution to increase the remediation efficiency of the soil washing. The ultrasound and dispersion agent may enhance the dispersion of the aggregate into individual particles and may enhance release of contaminants from the aggregate. We collected the arsenic (As) contaminated silt loam soil from a smelting site, spiked with 1% of diesel and incubated for 6 months. We tested the dispersion rate and the release of diesel with the incubated soil at various pH and concentrations of orthophosphate, pyrophosphate and hexametaphosphate with or without the ultrasound of 28 kHz and 400 W. The As concentrations of coarse (> medium silt) and fine (soil washing was turned out to be pH 11_10 mM Na-hexametaphosphate with the ultrasound. The concentration of total petroleum hydrocarbon of the incubated soil reduced from 3101.3 mg kg-1 to 14.0 mg kg-1 after 10 minute washing at the optimum condition. The fine fraction had much higher As concentration than the coarse fraction: 44.4 mg kg-1 for the fine fraction and 14.4 mg kg-1 for the coarse fraction. The results of this study indicate that the ultrasound and alkali phosphate solution increase the soil washing efficiency and can be a promising technology for the remediation of fine textured contaminated soils. Key Words : Ultrasound, Phosphate solution, Soil washing, Mixed contaminants

  2. In vivo amyloid aggregation kinetics tracked by time-lapse confocal microscopy in real-time. (United States)

    Villar-Piqué, Anna; Espargaró, Alba; Ventura, Salvador; Sabate, Raimon


    Amyloid polymerization underlies an increasing number of human diseases. Despite this process having been studied extensively in vitro, aggregation is a difficult process to track in vivo due to methodological limitations and the slow kinetics of aggregation reactions in cells and tissues. Herein we exploit the amyloid properties of the inclusions bodies (IBs) formed by amyloidogenic proteins in bacteria to address the kinetics of in vivo amyloid aggregation. To this aim we used time-lapse confocal microscopy and a fusion of the amyloid-beta peptide (A β42) with a fluorescent reporter. This strategy allowed us to follow the intracellular kinetics of amyloid-like aggregation in real-time and to discriminate between variants exhibiting different in vivo aggregation propensity. Overall, the approach opens the possibility to assess the impact of point mutations as well as potential anti-aggregation drugs in the process of amyloid formation in living cells.

  3. Competition between aggregation and migration processes of a multi-species system

    Institute of Scientific and Technical Information of China (English)

    Ke Jian-Hong; Zhuang You-Yi; Lin Zhen-Quan; Ye Peng


    We propose a solvable multi-species aggregation-migration model, in which irreversible aggregations occur between any two aggregates of the same species and reversible migrations occur between any two different species. The kinetic behaviour of an aggregation-migration system is then studied by means of the mean-field rate equation. The results show that the kinetics of the system depends crucially on the details of reaction events such as initial concentration distributions and ratios of aggregation rates to migration rate. In general, the aggregate mass distribution of each species always obeys a conventional or a generalized scaling law, and for most cases at least one species is scaled according to a conventional form with universal constants. Moreover, there is at least one species that can survive finally.

  4. Partial alkali-metal ion extraction from K0.8(Li0.27Ti1.73)O4 using PTFE as an extraction reagent. (United States)

    Ozawa, Tadashi C; Sasaki, Takayoshi


    The alkali-metal ion extraction ability of an inert material, polytetrafluoroethylene (PTFE; empirical formula CF2), was clarified by characterizing a partially alkali-metal ion-extracted layered compound, K0.8(Li0.27Ti1.73)O4. Washing K0.8(Li0.27Ti1.73)O4 in water extracts only 44% of the interlayer K(+) and no intralayer Li(+); on the other hand, 53% of the interlayer K(+) and approximately 10% of the intralayer Li(+) ions were extracted from K0.8(Li0.27Ti1.73)O4 by the reaction with PTFE at 350 °C under flowing Ar. A systematic decrease in the lattice parameters a and c along the intralayer directions and an increase in b along the interlayer direction were observed, consistent with the alkali-metal ion deintercalation amount as a function of the reaction temperatures and the reacted PTFE amounts. After the reaction with K0.8(Li0.27Ti1.73)O4 : CF2 = 1 : 0.6 in mol, the lattice parameter b increased to 1.5607(3) nm from 1.5522(2) of the pristine K0.8(Li0.27Ti1.73)O4, and this change in the lattice parameter was approximately one order of magnitude larger than those in a and c.

  5. Process for carbonaceous material conversion and recovery of alkali metal catalyst constituents held by ion exchange sites in conversion residue (United States)

    Sharp, David W.


    In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered for the particles by contacting or washing them with an aqueous solution containing calcium or magnesium ions in an alkali metal recovery zone at a low temperature, preferably below about F. During the washing or leaching process, the calcium or magnesium ions displace alkali metal ions held by ion exchange sites in the particles thereby liberating the ions and producing an aqueous effluent containing alkali metal constituents. The aqueous effluent from the alkali metal recovery zone is then recycled to the conversion process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst.

  6. Cement-aggregate compatibility and structure property relationships including modelling

    Energy Technology Data Exchange (ETDEWEB)

    Jennings, H.M.; Xi, Y.


    The role of aggregate, and its interface with cement paste, is discussed with a view toward establishing models that relate structure to properties. Both short (nm) and long (mm) range structure must be considered. The short range structure of the interface depends not only on the physical distribution of the various phases, but also on moisture content and reactivity of aggregate. Changes that occur on drying, i.e. shrinkage, may alter the structure which, in turn, feeds back to alter further drying and shrinkage. The interaction is dynamic, even without further hydration of cement paste, and the dynamic characteristic must be considered in order to fully understand and model its contribution to properties. Microstructure and properties are two subjects which have been pursued somewhat separately. This review discusses both disciplines with a view toward finding common research goals in the future. Finally, comment is made on possible chemical reactions which may occur between aggregate and cement paste.

  7. A Functional Reference Architecture for Aggregators

    DEFF Research Database (Denmark)

    Bondy, Daniel Esteban Morales; Heussen, Kai; Gehrke, Oliver;


    Aggregators are considered to be a key enabling technology for harvesting power system services from distributed energy resources (DER). As a precondition for more widespread use of aggregators in power systems, methods for comparing and validating aggregator designs must be established. This paper...... proposes a functional reference architecture for aggregators to address this requirement....

  8. Hierarchical organization in aggregates of protein molecules

    DEFF Research Database (Denmark)

    Bohr, Henrik; Kyhle, Anders; Sørensen, Alexis Hammer


    The aggregation of proteins into small clusters is studied by atomic force and electron microscopy. Scaling laws and fractal behaviour in the growth of the aggregates and in the correlation between aggregates is seen. A phase diagram of the aggregation process where the protonic concentration...

  9. 长沙地区湘江砂卵石的碱活性及安全使用条件%Alkali Reactivity and Safety Using Condition of Sand and Gravel from Xiangjiang River

    Institute of Scientific and Technical Information of China (English)

    史才军; 石振国; 卢都友; 何富强; 黄政宇


    The alkali reactivity of sands and gravels from Wangcheng, Xiangtan and Xiangyin segments in Xiangjiang River was examined by means of a petrographic method and an accelerated mortar bar testing method. Petrographic analysis indicates that there is no much difference in mineral composition among these sands and gravels. The gravels consist predominately of siliceous quartzite and greywacke, while the sands are mainly composed of quartz, feldspar, mica, and greywacke. The greywacke in both sands and gravels contains a certain amount of cryptocrystalline and microcrystaline quartz. Accelerated mortar bar testing results show that the sands and gravels both have alkaline activity. Fly ash and slag powder were used for alkali-aggregate reaction inhibitation. In addition, a factorial design method was used to design safety compositions in portland cement-fly ash-slag powder ternary cementitious system.%采用岩相法和快速砂浆棒法对长沙地区湘江的湘阴段、望城段和湘潭段3个河段砂卵石的碱活性进行了试验研究.岩相分析的结果表明:这3个河段的砂卵石的矿物组成没有明显差异,卵石主要由硅质石英岩和杂砂岩组成,砂主要由石英、长石、云母和杂砂岩组成,卵石和砂中的杂砂岩均含有一定量的隐晶石英和微晶石英.快速砂浆棒法测试的结果表明:这3个河段的砂卵石均具有碱活性.研究了粉煤灰和矿粉对卵石和砂碱-骨科反应膨胀的抑制效果,并首次使用正交设计法研究,得到了水泥-粉煤灰-矿粉三元胶凝体系中安全的胶凝组分区域.

  10. An exact approach for aggregated formulations

    DEFF Research Database (Denmark)

    Gamst, Mette; Spoorendonk, Simon; Røpke, Stefan

    optimality cannot be guaranteed by branching on aggregated variables. We present a generic exact solution method to remedy the drawbacks of aggregation. It combines the original and aggregated formulations and applies Benders' decomposition. We apply the method to the Split Delivery Vehicle Routing Problem.......Aggregating formulations is a powerful approach for problems to take on tractable forms. Aggregation may lead to loss of information, i.e. the aggregated formulation may be an approximation of the original problem. In branch-and-bound context, aggregation can also complicate branching, e.g. when...

  11. Generation and characterization of alkali metal clusters in Y-FAU zeolites. An ESR and MAS NMR spectroscopic study (United States)

    Hannus, István; Béres, Attila; Nagy, János B.; Halász, János; Kiricsi, Imre


    Charged and neutral metal clusters of various compositions and sizes can be prepared by controlling the alkali metal content by the decomposition of alkali azides and the composition of the host zeolite by ion-exchange. ESR signals show that electron transfer from alkali metal atoms to alkali metal cations does occur, but in a direction opposite to that predicted by the gas-phase thermochemistry. Alkali metal clusters proved to be very active basic catalytic centers.

  12. Kinetic behaviour of two-species-group aggregation process with complete annihilation

    Institute of Scientific and Technical Information of China (English)

    柯见洪; 林振权; 王向红


    We propose a two-species-group aggregation-annihilation model in which an irreversible aggregation reaction occurs between any two clusters of the same species, and an irreversible joint annihilation reaction occurs between two distinct species groups. Based on the mean-field theory, we have investigated the rate equations of the process with constant reaction rates to obtain the asymptotic descriptions of the cluster-mass distributions. The results indicate that for the symmetrical initial cases the kinetic behaviour of the system depends crucially on the ratio of the equivalent aggregation rate to the annihilation rate. The cluster-mass distribution of each species always obeys a conventional or modified scaling law in each individual case. Moreover, all the species cannot finally survive except for the cases in which at least one equivalent aggregation rate is less than twice the annihilation rate.

  13. Electrochemical promotion of catalytic reactions (United States)

    Imbihl, R.


    The electrochemical promotion of heterogeneously catalyzed reactions (EPOC) became feasible through the use of porous metal electrodes interfaced to a solid electrolyte. With the O 2- conducting yttrium stabilized zirconia (YSZ), the Na + conducting β″-Al 2O 3 (β-alumina), and several other types of solid electrolytes the EPOC effect has been demonstrated for about 100 reaction systems in studies conducted mainly in the mbar range. Surface science investigations showed that the physical basis for the EPOC effect lies in the electrochemically induced spillover of oxygen and alkali metal, respectively, onto the surface of the metal electrodes. For the catalytic promotion effect general concepts and mechanistic schemes were proposed but these concepts and schemes are largely speculative. Applying surface analytical tools to EPOC systems the proposed mechanistic schemes can be verified or invalidated. This report summarizes the progress which has been achieved in the mechanistic understanding of the EPOC effect.

  14. Coherent coupling of alkali atoms by random collisions

    CERN Document Server

    Katz, Or; Firstenberg, Ofer


    Random spin-exchange collisions in warm alkali vapor cause rapid decoherence and act to equilibriate the spin state of the atoms. In contrast, here we demonstrate experimentally and theoretically a coherent coupling of one alkali specie to another specie, mediated by these random collisions. We show that, the minor specie (potassium) inherits the magnetic properties of the dominant specie (rubidium), including its lifetime (T1), coherence time (T2), gyromagnetic ratio, and SERF magnetic-field threshold. We further show that this coupling can be completely controlled by varying the strength of the magnetic field. Finally, we explain these phenomena analytically by modes-mixing of the two species via spin-exchange collisions.

  15. Alkali-helium snowball complexes formed on helium nanodroplets. (United States)

    Müller, S; Mudrich, M; Stienkemeier, F


    We systematically investigate the formation and stability of snowballs formed by femtosecond photoionization of small alkali clusters bound to helium nanodroplets. For all studied alkali species Ak = (Na,K,Rb,Cs) we observe the formation of snowballs Ak(+)He(N) when multiply doping the droplets. Fragmentation of clusters Ak(N) upon ionization appears to enhance snowball formation. In the case of Na and Cs we also detect snowballs Ak(2) (+)He(N) formed around Ak dimer ions. While the snowball progression for Na and K is limited to less than 11 helium atoms, the heavier atoms Rb and Cs feature wide distributions at least up to Ak(+)He(41). Characteristic steps in the mass spectra of Cs-doped helium droplets are found at positions consistent with predictions on the closure of the first shell of helium atoms around the Ak(+) ion based on variational Monte Carlo simulations.

  16. Coherent coupling of alkali atoms by random collisions. (United States)

    Katz, Or; Peleg, Or; Firstenberg, Ofer


    Random spin-exchange collisions in warm alkali vapor cause rapid decoherence and act to equilibrate the spin state of the atoms in the vapor. In contrast, here we demonstrate experimentally and theoretically a coherent coupling of one alkali species to another species, mediated by these random collisions. We show that the minor species (potassium) inherits the magnetic properties of the dominant species (rubidium), including its lifetime (T_{1}), coherence time (T_{2}), gyromagnetic ratio, and spin-exchange relaxation-free magnetic-field threshold. We further show that this coupling can be completely controlled by varying the strength of the magnetic field. Finally, we explain these phenomena analytically by mode mixing of the two species via spin-exchange collisions.

  17. Penetration of alkali atoms throughout a graphene membrane: theoretical modeling. (United States)

    Boukhvalov, D W; Virojanadara, C


    Theoretical studies of penetration of various alkali atoms (Li, Na, Rb, Cs) throughout a graphene membrane grown on a silicon carbide substrate are reported and compared with recent experimental results. Results of first principles modeling demonstrate a rather low (about 0.8 eV) energy barrier for the formation of temporary defects in the carbon layer required for the penetration of Li at a high concentration of adatoms, a higher (about 2 eV) barrier for Na, and barriers above 4 eV for Rb and Cs. Experiments prove migration of lithium adatoms from the graphene surface to the buffer layer and SiC substrate at room temperature, sodium at 100 °C and impenetrability of the graphene membrane for Rb and Cs. Differences between epitaxial and free-standing graphene for the penetration of alkali ions are also discussed.

  18. The optical properties of alkali nitrate single crystals (United States)

    Anan'ev, Vladimir; Miklin, Mikhail


    Absorption of non-polarized light by a uniaxial crystal has been studied. The degree of absorption polarization has been calculated as a function of the ratio of optical densities in the region of low and high absorbances. This function is proposed for analysis of the qualitative and quantitative characteristics of uniaxial crystal absorption spectra. Non-polarized light spectra of alkali nitrate single crystals, both pure and doped with thallium, have been studied. It is shown that the absorption band at 300 nm is due to two transitions, whose intensities depend on temperature in various ways. There is a weak band in a short wavelength range of the absorption spectrum of potassium nitrate crystal, whose intensity increases with thallium doping. The band parameters of alkali nitrate single crystals have been calculated. Low-energy transitions in the nitrate ion have been located.

  19. Polarizabilities and hyperpolarizabilities of the alkali metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Fuentealba, P. (Chile Univ., Santiago (Chile). Departamento de Fisica and Centro de Mecanica Cuantica Aplicada (CMCA)); Reyes, O. (Chile Univ., Santiago (Chile). Dept. de Fisica)


    The electric static dipole polarizability [alpha], quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability [gamma] have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability [gamma]. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author).

  20. Density functional study of ferromagnetism in alkali metal thin films

    Indian Academy of Sciences (India)

    Prasenjit Sen


    Electronic and magnetic structures of (1 0 0) films of K and Cs, having thicknesses of one to seven layers, are calculated within the plane-wave projector augmented wave (PAW) formalism of the density functional theory (DFT), using both local spin density approximation (LSDA) and the PW91 generalized gradient approximation (GGA). Only a six-layer Cs film is found to have a ferromagnetic (FM) state which is degenerate with a paramagnetic (PM) state within the accuracy of these calculations. These results are compared with those obtained from calculations on a finite-thickness uniform jellium model (UJM), and it is argued that within LSDA or GGA, alkali metal thin films cannot be claimed to have an FM ground state. Relevance of these results to the experiments on transition metal-doped alkali metal thin films and bulk hosts are also discussed.


    Institute of Scientific and Technical Information of China (English)

    郝冬梅; 王新灵; 朱卫华; 唐小真; 刘成岑; 施凯


    Hollow polymer latex particles were prepared by seeded emulsion polymerization. A seed latex consisting of styrene (St), butyl acrylate(BA) copolymer was first prepared, and seeded terpolymerization of St-BA-MA(methacrylic acid) were then carried out in the absence of surfactant. Final latex was treated by a two-step treatment under alkaline and acidic conditions, thus, the particles with hollow structure were obtained. We discussed the effects of pH value, temperature and time in alkali and acid treatment processes on hollow structure within the polymer latex particles and amount of carboxylic group on particle surface. The results show that the hollow polymer latex particles with the largest hollow size can be obtained under a certain condition (pH12.5, 90°C, 3 h in alkali treatment stage and pH2.5, 85°C, 3 h in acid treatment stage).

  2. Alkali halide microstructured optical fiber for X-ray detection

    Energy Technology Data Exchange (ETDEWEB)

    DeHaven, S. L., E-mail:, E-mail:; Wincheski, R. A., E-mail:, E-mail: [NASA Langley Research Center, Hampton, VA 23681 (United States); Albin, S., E-mail: [Norfolk State University, Norfolk, VA 23504 (United States)


    Microstructured optical fibers containing alkali halide scintillation materials of CsI(Na), CsI(Tl), and NaI(Tl) are presented. The scintillation materials are grown inside the microstructured fibers using a modified Bridgman-Stockbarger technique. The x-ray photon counts of these fibers, with and without an aluminum film coating are compared to the output of a collimated CdTe solid state detector over an energy range from 10 to 40 keV. The photon count results show significant variations in the fiber output based on the materials. The alkali halide fiber output can exceed that of the CdTe detector, dependent upon photon counter efficiency and fiber configuration. The results and associated materials difference are discussed.

  3. Positronium-alkali atom scattering at medium energies

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Ajoy [Laban Hrad Vidyapith, AD-369, Salt Lake City, Kolkata 700 064 (India); Basu, Arindam [Department of Physics, Maheshtala College, Chandannagar, South 24 Parganas, Kolkata 700 140 (India); Sarkar, Nirmal K [Sodepur Chandrachur Vidyapith, 1, Desh Bandhu Nagar, Sodepur, 743 174 (India); Sinha, Prabal K [Department of Physics, Bangabasi College, 19, Raj Kumar Chakravorty Sarani, Kolkata 700 009 (India)


    We investigate the scattering of orthopositronium (o-Ps) atom off different atomic alkali targets (Na to Cs) at low and medium energies (up to 120 eV). Projectile-elastic and target-elastic close-coupling models have been employed to investigate the systems in addition to the static-exchange model. Elastic, excitation and total cross sections have been reported for all four systems. The magnitude of the alkali excitation cross section increases with increasing atomic number of the target atom while the position of the peak value shifts towards lower incident energies. The magnitudes of the Ps excitation and ionization cross sections increase steadily with atomic number with no change in the peak position. The reported results show regular behaviour with increasing atomic number of the target atom. Scattering parameters for the Ps-Rb and Ps-Cs systems are being reported for the first time.

  4. Alkali Halide Microstructured Optical Fiber for X-Ray Detection (United States)

    DeHaven, S. L.; Wincheski, R. A.; Albin, S.


    Microstructured optical fibers containing alkali halide scintillation materials of CsI(Na), CsI(Tl), and NaI(Tl) are presented. The scintillation materials are grown inside the microstructured fibers using a modified Bridgman-Stockbarger technique. The x-ray photon counts of these fibers, with and without an aluminum film coating are compared to the output of a collimated CdTe solid state detector over an energy range from 10 to 40 keV. The photon count results show significant variations in the fiber output based on the materials. The alkali halide fiber output can exceed that of the CdTe detector, dependent upon photon counter efficiency and fiber configuration. The results and associated materials difference are discussed.

  5. The chemical composition of mineral trioxide aggregate

    Directory of Open Access Journals (Sweden)

    Camilleri Josette


    Full Text Available Mineral trioxide aggregate (MTA is composed of Portland cement, with 4:1 addition of bismuth oxide added so that the material can be detected on a radiograph. The cement is made up of calcium, silicon and aluminium. The main constituent phases are tricalcium and dicalcium silicate and tricalcium aluminate. There are two commercial forms of MTA, namely the grey and the white. The difference between the grey and the white materials is the presence of iron in the grey material, which makes up the phase tetracalcium alumino-ferrite. This phase is absent in white MTA. Hydration of MTA occurs in two stages. The initial reaction between tricalcium aluminate and water in the presence of calcium sulphate results in the production of ettringite. Tricalcium and dicalcium silicate react with water to produce calcium silicate hydrate and calcium hydroxide, which is leached out of the cement with time.

  6. Erythrocyte aggregation: Basic aspects and clinical importance


    Oğuz K. Başkurt; Meiselman, Herbert J.


    Red blood cells (RBC) aggregate to form two- and three-dimensional structures when suspended in aqueous solutions containing large plasma proteins or polymers; this aggregation is reversible and shear dependent (i.e., dispersed at high shear and reformed at low or stasis). The extent of aggregation is the main determinant of low shear blood viscosity, thus predicting an inverse relationship between aggregation and in vivo blood flow. However, the effects of aggregation on hemodynamic mechanis...

  7. Molecular Aggregation in Disodium Cromoglycate (United States)

    Singh, Gautam; Agra-Kooijman, D.; Collings, P. J.; Kumar, Satyendra


    Details of molecular aggregation in the mesophases of the anti-asthmatic drug disodium cromoglycate (DSCG) have been studied using x-ray synchrotron scattering. The results show two reflections, one at wide angles corresponding to π-π stacking (3.32 å) of molecules, and the other at small angles which is perpendicular to the direction of molecular stacking and corresponds to the distance between the molecular aggregates. The latter varies from 35 - 41 å in the nematic (N) phase and 27 -- 32 å in the columnar (M) phase. The temperature evolution of the stack height, positional order correlations in the lateral direction, and orientation order parameter were determined in the N, M, and biphasic regions. The structure of the N and M phases and the nature of the molecular aggregation, together with their dependence on temperature and concentration, will be presented.

  8. Solubility of 1:1 Alkali Nitrates and Chlorides in Near-Critical and Supercritical Water : 1 Alkali Nitrates and Chlorides in Near-Critical and Supercritical Water

    NARCIS (Netherlands)

    Leusbrock, Ingo; Metz, Sybrand J.; Rexwinkel, Glenn; Versteeg, Geert F.


    To increase the available data oil systems containing supercritical water and inorganic compounds, all experimental setup was designed to investigate the solubilities of inorganic compounds Ill supercritical water, In this work, three alkali chloride salts (LiCl, NaCl, KCl) and three alkali nitrate

  9. A hidden history of heartburn: The milk-alkali syndrome



    Milk-alkali syndrome was once considered to be of historic interest and a rare cause of hypercalcemia. Currently, it should be an important consideration in the differential diagnosis of hypercalcemia, after malignancies and primary hyperparathyroidism. The resurgence is in part due to the easy availability of over the counter (OTC) calcium preparations. We describe a 50-year-old man who presented with severe hypercalcemia on two occasions associated with renal failure and metabolic alkalosis...

  10. Efficient potassium diode pumped alkali laser operating in pulsed mode. (United States)

    Zhdanov, Boris V; Rotondaro, Matthew D; Shaffer, Michael K; Knize, Randall J


    This paper presents the results of our experiments on the development of an efficient hydrocarbon free diode pumped alkali laser based on potassium vapor buffered by He gas at 600 Torr. A slope efficiency of more than 50% was demonstrated with a total optical conversion efficiency of 30%. This result was achieved by using a narrowband diode laser stack as the pump source. The stack was operated in pulsed mode to avoid limiting thermal effects and ionization.

  11. Composition and thermodynamic properties of dense alkali metal plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Gabdullin, M.T. [NNLOT, al-Farabi Kazakh National University, 71 al-Farabi Str., Almaty 050035 (Kazakhstan); Ramazanov, T.S.; Dzhumagulova, K.N. [IETP, al-Farabi Kazakh National University, 71 al-Farabi Str., Almaty 050035 (Kazakhstan)


    In this work composition and thermodynamic properties of dense alkali metal plasmas (Li, Na) were investigated. Composition was derived by solving the Saha equations with corrections due to nonideality. The lowering of the ionization potentials was calculated on the basis of pseudopotentials by taking screening and quantum effects into account (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Engineering Properties of Alkali-Activated Fly Ash Concrete



    This paper reports the results of experimental research on certain engineering properties of a new (portland cement-free) concrete made with alkali-activated fly ash. Laboratory tests were conducted to determine its (bending and compression) mechanical strength, modulus of elasticity, bond strength, and shrinkage. The results show that mortar and concrete made with portland cement-free activated fly ash develop a high mechanical strength in short periods of time, have a moderate modulus of el...

  13. Ultrafine microporous and mesoporous activated carbon fibers from alkali lignin



    A facile and sustainable approach has been successfully devised to fabricate ultrafine (100-500 nm) highly porous activated carbon fibers (ACFs) by electrospinning of aqueous solutions of predominantly alkali lignin (low sulfonate content) followed by simultaneous carbonization and activation at 850 °C under N2. Incorporating a polyethylene oxide (PEO) carrier with only up to one ninth of lignin not only enabled efficient electrospinning into fibers but also retained fibrous structures during...

  14. On-line alkali monitoring - Part 1; Kontinuerlig alkalimaetning - Etapp 1

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Christer; Ljung, P.; Woxlin, H.


    As a consequence of the increased knowledge of the environmental impact of combustion based heat and power generation, the use of renewable biofuels will be increased. An obstacle associated to biofuel combustion compared to other fuels is the large release of alkali. Alkali compounds in flue gases are known to cause severe operational problems. Three of the major problems are; fouling of superheating tubes (causing reduced heat transfer and possibly corrosion), agglomeration of the bed material in fluidized beds, and poisoning of SCR catalysts. Yet another alkali related problem arises when, in order to increase the electric efficiency of combustion power plants, combined-cycle technology is used. Alkali vapour present in the fuel gas for the gas turbine is condensed to particles which increase corrosion and erosion of the turbine blades. The research on ash related operational problems has to be extended in order to ensure future use of biofuels in heat and power generation. In all successful research, adequate tools are necessary. To investigate ash related problems the key issue is to be able to perform continuous alkali measurements. This pilot study has investigated the need of continuous alkali measurements, which alkali species are harmful in the different applications and also available instrumentation capable of measuring the specific alkali species. The report gives a short summary presenting alkali related operational problems. In addition a schematic overview is given, showing the alkali species that possibly can exist in various parts of the power plant. 48 refs, 13 figs, 4 tabs


    Directory of Open Access Journals (Sweden)

    Jing Hu


    Full Text Available As a composite material, the performance of concrete materials can be expected to depend on the properties of the interfaces between its two major components, aggregate and cement paste. The microstructure at the interfacial transition zone (ITZ is assumed to be different from the bulk material. In general, properties of conventional concrete have been found favoured by optimum packing density of the aggregate. Particle size is a common denominator in such studies. Size segregation in the ITZ among the binder particles in the fresh state, observed in simulation studies by concurrent algorithm-based SPACE system, additionally governs density as well as physical bonding capacity inside these shell-like zones around aggregate particles. These characteristics have been demonstrated qualitatively pertaining also after maturation of the concrete. Such properties of the ITZs have direct impact on composite properties. Despite experimental approaches revealed effects of aggregate grain shape on different features of material structure (among which density, and as a consequence on mechanical properties, it is still an underrated factor in laboratory studies, probably due to the general feeling that a suitable methodology for shape characterization is not available. A scientific argument hindering progress is the interconnected nature of size and shape. Presently, a practical problem preventing shape effects to be emphasized is the limitation of most computer simulation systems in concrete technology to spherical particles. New developments at Delft University of Technology will make it possible in the near future to generate jammed states, or other high-density fresh particle mixtures of non-spherical particles, which thereupon can be subjected to hydration algorithms. This paper will sketch the outlines of a methodological approach for shape assessment of loose (non-embedded aggregate grains, and demonstrate its use for two types of aggregate, allowing

  16. Environmentalism and natural aggregate mining (United States)

    Drew, L.J.; Langer, W.H.; Sachs, J.S.


    Sustaining a developed economy and expanding a developing one require the use of large volumes of natural aggregate. Almost all human activity (commercial, recreational, or leisure) is transacted in or on facilities constructed from natural aggregate. In our urban and suburban worlds, we are almost totally dependent on supplies of water collected behind dams and transported through aqueducts made from concrete. Natural aggregate is essential to the facilities that produce energy-hydroelectric dams and coal-fired powerplants. Ironically, the utility created for mankind by the use of natural aggregate is rarely compared favorably with the environmental impacts of mining it. Instead, the empty quarries and pits are seen as large negative environmental consequences. At the root of this disassociation is the philosophy of environmentalism, which flavors our perceptions of the excavation, processing, and distribution of natural aggregate. The two end-member ideas in this philosophy are ecocentrism and anthropocentrism. Ecocentrism takes the position that the natural world is a organism whose arteries are the rivers-their flow must not be altered. The soil is another vital organ and must not be covered with concrete and asphalt. The motto of the ecocentrist is "man must live more lightly on the land." The anthropocentrist wants clean water and air and an uncluttered landscape for human use. Mining is allowed and even encouraged, but dust and noise from quarry and pit operations must be minimized. The large volume of truck traffic is viewed as a real menace to human life and should be regulated and isolated. The environmental problems that the producers of natural aggregate (crushed stone and sand and gravel) face today are mostly difficult social and political concerns associated with the large holes dug in the ground and the large volume of heavy truck traffic associated with quarry and pit operations. These concerns have increased in recent years as society's demand for

  17. Aggregating energy flexibilities under constraints

    DEFF Research Database (Denmark)

    Valsomatzis, Emmanouil; Pedersen, Torben Bach; Abello, Alberto


    The flexibility of individual energy prosumers (producers and/or consumers) has drawn a lot of attention in recent years. Aggregation of such flexibilities provides prosumers with the opportunity to directly participate in the energy market and at the same time reduces the complexity of scheduling...... the energy units. However, aggregated flexibility should support normal grid operation. In this paper, we build on the flex-offer (FO) concept to model the inherent flexibility of a prosumer (e.g., a single flexible consumption device such as a clothes washer). An FO captures flexibility in both time...

  18. Balancing energy flexibilities through aggregation

    DEFF Research Database (Denmark)

    Valsomatzis, Emmanouil; Hose, Katja; Pedersen, Torben Bach


    One of the main goals of recent developments in the Smart Grid area is to increase the use of renewable energy sources. These sources are characterized by energy fluctuations that might lead to energy imbalances and congestions in the electricity grid. Exploiting inherent flexibilities, which exist...... in both energy production and consumption, is the key to solving these problems. Flexibilities can be expressed as flex-offers, which due to their high number need to be aggregated to reduce the complexity of energy scheduling. In this paper, we discuss balance aggregation techniques that already during...

  19. The unexpected properties of alkali metal iron selenide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Dagotto, Elbio R [ORNL


    The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi surface nesting of hole and electron pockets when in the presence of weak Hubbard U interactions. This approach seemed appropriate considering the small values of the magnetic moments in the parent compounds and the clear evidence based on photoemission experiments of the required electron and hole pockets. However, recent results in the context of alkali metal iron selenides, with generic chemical composition AxFe2ySe2 (A alkali metal element), have challenged those previous ideas since at particular compositions y the low-temperature ground states are insulating and display antiferromagnetic order with large iron magnetic moments. Moreover, angle-resolved photoemission studies have revealed the absence of hole pockets at the Fermi level in these materials. The present status of this exciting area of research, with the potential to alter conceptually our understanding of the ironbased superconductors, is here reviewed, covering both experimental and theoretical investigations. Other recent related developments are also briefly reviewed, such as the study of selenide two-leg ladders and the discovery of superconductivity in a single layer of FeSe. The conceptual issues considered established for the alkali metal iron selenides, as well as several issues that still require further work, are discussed.

  20. Scattering of positrons and electrons by alkali atoms (United States)

    Stein, T. S.; Kauppila, W. E.; Kwan, C. K.; Lukaszew, R. A.; Parikh, S. P.; Wan, Y. J.; Zhou, S.; Dababneh, M. S.


    Absolute total scattering cross sections (Q sub T's) were measured for positrons and electrons colliding with sodium, potassium, and rubidium in the 1 to 102 eV range, using the same apparatus and experimental approach (a beam transmission technique) for both projectiles. The present results for positron-sodium and -rubidium collisions represent the first Q sub T measurements reported for these collision systems. Features which distinguish the present comparisons between positron- and electron-alkali atom Q sub T's from those for other atoms and molecules (room-temperature gases) which have been used as targets for positrons and electrons are the proximity of the corresponding positron- and electron-alkali atom Q sub T's over the entire energy range of overlap, with an indication of a merging or near-merging of the corresponding positron and electron Q sub T's near (and above) the relatively low energy of about 40 eV, and a general tendency for the positron-alkali atom Q sub T's to be higher than the corresponding electron values as the projectile energy is decreased below about 40 eV.

  1. Plasma formation in diode pumped alkali lasers sustained in Cs (United States)

    Markosyan, Aram H.; Kushner, Mark J.


    In diode pumped alkali lasers (DPALs), lasing action occurs on the resonant lines of alkali atoms following pumping by broadband semiconductor lasers. The goal is to convert the efficient but usually poor optical quality of inexpensive diode lasers into the high optical quality of atomic vapor lasers. Resonant excitation of alkali vapor leads to plasma formation through the excitation transfer from the 2P states to upper lying states, which then are photoionized by the pump and intracavity radiation. A first principles global model was developed to investigate the operation of the He/Cs DPAL system and the consequences of plasma formation on the efficiency of the laser. Over a range of pump powers, cell temperatures, excitation frequency, and mole fraction of the collision mixing agent (N2 or C2H6), we found that sufficient plasma formation can occur that the Cs vapor is depleted. Although N2 is not a favored collisional mixing agent due to large rates of quenching of the 2P states, we found a range of pump parameters where laser oscillation may occur. The poor performance of N2 buffered systems may be explained in part by plasma formation. We found that during the operation of the DPAL system with N2 as the collisional mixing agent, plasma formation is in excess of 1014-1015 cm-3, which can degrade laser output intensity by both depletion of the neutral vapor and electron collisional mixing of the laser levels.

  2. Electron densities and alkali atoms in exoplanet atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Lavvas, P. [GSMA, Université de Reims Champagne Ardenne, CNRS UMR 7331, Reims, 51687 France (France); Koskinen, T.; Yelle, R. V., E-mail: [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85719 (United States)


    We describe a detailed study on the properties of alkali atoms in extrasolar giant planets, and specifically focus on their role in generating the atmospheric free electron densities, as well as their impact on the transit depth observations. We focus our study on the case of HD 209458b, and we show that photoionization produces a large electron density in the middle atmosphere that is about two orders of magnitude larger than the density anticipated from thermal ionization. Our purely photochemical calculations, though, result in a much larger transit depth for K than observed for this planet. This result does not change even if the roles of molecular chemistry and excited state chemistry are considered for the alkali atoms. In contrast, the model results for the case of exoplanet XO-2b are in good agreement with the available observations. Given these results we discuss other possible scenarios, such as changes in the elemental abundances, changes in the temperature profiles, and the possible presence of clouds, which could potentially explain the observed HD 209458b alkali properties. We find that most of these scenarios cannot explain the observations, with the exception of a heterogeneous source (i.e., clouds or aerosols) under specific conditions, but we also note the discrepancies among the available observations.

  3. Superconductivity in alkali-doped C{sub 60}

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, Arthur P., E-mail:


    Highlight: • Superconductivity in alkali-doped C{sub 60} (A{sub 3}C{sub 60}) is well described by an s-wave state produced by phonon mediated pairing. • Moderate coupling of electrons to high-frequency shape-changing intra-molecular vibrational modes produces transition temperatures up to 33 K in single-phase material. • The good understanding of pairing in A{sub 3}C{sub 60} offers a paradigm for the development of new superconducting materials. - Abstract: Superconductivity in alkali-doped C{sub 60} (A{sub 3}C{sub 60}, A = an alkali atom) is well described by an s-wave state produced by phonon mediated pairing. Moderate coupling of electrons to high-frequency shape-changing intra-molecular vibrational modes produces transition temperatures (T{sub c}) up to 33 K in single-phase material. The good understanding of pairing in A{sub 3}C{sub 60} offers a paradigm for the development of new superconducting materials.

  4. Aggregation and deposition behavior of boron nanoparticles in porous media. (United States)

    Liu, Xuyang; Wazne, Mahmoud; Christodoulatos, Christos; Jasinkiewicz, Kristin L


    New kinds of solid fuels and propellants comprised of nanomaterials are making their way into civilian and military applications yet the impact of their release on the environment remains largely unknown. One such material is nano boron, a promising solid fuel and propellant. The fate and transport of nano boron under various aquatic systems was investigated in aggregation and deposition experiments. Column experiments were performed to examine the effects of electrolyte concentration and flow velocity on the transport of boron nanoparticles under saturated conditions, whereas aggregation tests were conducted to assess the effects of electrolytes on the aggregation of the boron nanoparticles. Aggregation tests indicated the presence of different reaction-controlled and diffusion-controlled regimes and yielded critical coagulation concentrations (CCC) of 200 mM, 0.7 mM and 1.5 mM for NaCl, CaCl(2), and MgCl(2), respectively. Aggregation and deposition experimental data corresponded with the classic Derjaguin-Landau-Verwey-Overbeek (DLVO) model and the constant attachment efficiency filtration model, respectively. Theoretical calculations indicated that both the primary and secondary energy minima play important roles in the deposition of nano boron in sand columns.

  5. Hydrogen Release Studies of Alkali Metal Amidoboranes

    Energy Technology Data Exchange (ETDEWEB)

    Luedtke, Avery T.; Autrey, Thomas


    A series of metal amido boranes LiNH2BH3 (LAB), NaNH2BH3 (SAB), LiNH(Me)BH3 (LMAB), NaNH(Me)BH3 (SMAB), KNH(Me)BH3 (PMAB), and KNH(tBu)BH3 (PBAB) were synthesized, by solution phase methods, and the thermal release of H2 in the solid state was studied. Based on the observed trends in reaction rates of H > Me > tBu and the kinetic isotope effect, the mechanism of hydrogen release from MAB compounds was found to proceed through a bimolecular mechanism involving the intermediacy of a MH (M = Li, Na, or K). The mechanism of hydrogen release from metal amidoboranes, a metal ion assisted hydride transfer, is very different than the mechanism of hydrogen release from the parent compound ammonia borane (AB). The non-volatile products formed from MAB’s are significantly different than the products formed after hydrogen release from AB. The boron containing resulting from the release of one equivalent of hydrogen from the metal amidoboranes were characterized by MAS 11B NMR spectroscopy and found to contain both BH3 and sp2 hybridized BH groups, consistent with a general structural feature MN(R)=BHN(R)MBH3. This work was funded by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy as part of the Chemical Hydrogen Storage CoE at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the U.S. DOE by Battelle. MAS NMR studies were performed using EMSL, a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL.

  6. Alkali metal cation-hexacyclen complexes: effects of alkali metal cation size on the structure and binding energy. (United States)

    Austin, C A; Rodgers, M T


    Threshold collision-induced dissociation (CID) of alkali metal cation-hexacyclen (ha18C6) complexes, M(+)(ha18C6), with xenon is studied using guided ion beam tandem mass spectrometry techniques. The alkali metal cations examined here include: Na(+), K(+), Rb(+), and Cs(+). In all cases, M(+) is the only product observed, corresponding to endothermic loss of the intact ha18C6 ligand. The cross-section thresholds are analyzed to extract zero and 298 K M(+)-ha18C6 bond dissociation energies (BDEs) after properly accounting for the effects of multiple M(+)(ha18C6)-Xe collisions, the kinetic and internal energy distributions of the M(+)(ha18C6) and Xe reactants, and the lifetimes for dissociation of the activated M(+)(ha18C6) complexes. Ab initio and density functional theory calculations are used to determine the structures of ha18C6 and the M(+)(ha18C6) complexes, provide molecular constants necessary for the thermodynamic analysis of the energy-resolved CID data, and theoretical estimates for the M(+)-ha18C6 BDEs. Calculations using a polarizable continuum model are also performed to examine solvent effects on the binding. In the absence of solvent, the M(+)-ha18C6 BDEs decrease as the size of the alkali metal cation increases, consistent with the noncovalent nature of the binding in these complexes. However, in the presence of solvent, the ha18C6 ligand exhibits selectivity for K(+) over the other alkali metal cations. The M(+)(ha18C6) structures and BDEs are compared to those previously reported for the analogous M(+)(18-crown-6) and M(+)(cyclen) complexes to examine the effects of the nature of the donor atom (N versus O) and the number donor atoms (six vs four) on the nature and strength of binding.

  7. Alternative alkali resistant deNO{sub x} technologies

    Energy Technology Data Exchange (ETDEWEB)

    Buus Kristensen, S.; Due-Hansen, J.; Putluru, S.S.R.; Kunov-Kruse, A.; Fehrmann, R.; Degn Jensen, A.


    The aim of the project is to identify, make and test possible alkali resistant deNO{sub x} catalysts for use in biomass, waste or fossil fuelled power plants, where the flue gas typically has a high level of potassium compounds, which rapidly de-activate the traditional V{sub 2}O{sub 5}/TiO{sub 2} catalyst. Furthermore, new technologies are investigated based on a protective coating of the catalyst elements and selective reversible absorption of NO{sub x} with ionic liquids. Several promising alternative deNO{sub x} catalyst types have been made during the project: 1) V, Fe, CU based nano-TiO{sub 2} and nano-TiO{sub 2}-SO{sub 4}{sup 2-} catalysts; 2) V/ZrO{sub 2}-SO{sub 2}- and V/ZrO{sub 2}-CeO{sub 2} catalysts; V, Fe, Cu based Zeolite catalysts; 4) V, Fe, Cu based Heteropoly acid catalysts. Several of these are promising alternatives to the state-of the art industrial reference catalyst. All catalysts prepared in the present project exhibit higher to much higher alkali resistance compared to the commercial reference. Furthermore, two catalysts, i.e. 20 wt% V{sub 2}O-3-TiO{sub 2} nano-catalyst and the 4 wt% CuO-Mordenite zeolite based catalyst have also a higher initial SCR activity compared to the commercial one before alkali poisoning. Thus, those two catalysts might be attractive for SCR deNO{sub x} purposes even under ''normal'' fuel conditions in power plants and elsewhere making them strong candidates for further development. These efforts regarding all the promising catalysts will be pursued after this project has expired through a one year Proof of Concept project granted by the Danish Agency for Science, Technology and Innovation. Also the severe rate of deactivation due to alkali poisons can be avoided by coating the vanadium catalyst with Mg. Overall, the protective coating of SCR catalysts developed in the project seems promising and a patent application has been filed for this technology. Finally, a completely different approach to

  8. Electrical conduction and glass relaxation in alkali- silicate glasses (United States)

    Angel, Paul William

    Electrical response measurements from 1 Hz to 1 MHz between 50o and 540oC were made on potassium, sodium and lithium-silicate glasses with low alkali oxide contents. Conductivity and electrical relaxation responses for both annealed and air quenched glasses of the same composition were compared. Quenching was found to lower the dc conductivity, σdc, and activation energy as well as increase the pre-exponential term when compared to the corresponding annealed glass of the same composition. All of the glasses exhibited Arrhenius behavior in the log σdc against 1/T plots. A sharp decrease in σdc was observed for glasses containing alkali concentrations of 7 mol% or less. The σdc activation energy exhibited similar behavior when plotted as a function of alkali composition and was explained in terms of a mixture of the weak and strong electrolyte models. The depression angle for fits to the complex impedance data were also measured as a function of thermal history, alkali concentration and alkali species. These results were interpreted in terms of changes in the distribution of relaxation times. Annealed samples from a single melt of a 10 mol% K2O-90SiO2 glass were reheated to temperatures ranging from 450o to 800oC, held isothermally for 20 min, and then quenched in either air or silicon oil. The complex impedance of both an annealed and the quenched samples were then measured as a function of temperature from 120o to 250oC. The σdc was found to be remain unaffected by heat treatments below 450oC, to increase rapidly over an approximate 200oC range of temperatures that was dependent on cooling rate and to be constant for heat treatments above this range. This behavior is interpreted in terms of the mean structural relaxation time as a function of temperature and cooling rate near the glass transition temperature and glass transformation ranges. A more detailed definition for the transition and transformation temperatures and ranges was also provided.

  9. The Influence of Crushed Concrete Demolition Waste Aggregates on the Hardening Process of Concrete Mixtures

    Directory of Open Access Journals (Sweden)



    Full Text Available Concrete – complex structure composite material consisting of the components with various structure and size. Not only coarse and fine aggregates are used in concrete production, but also filler aggregates. Aggregates of natural, man-made origin or aggregates, produced from recycled materials, can be utilised in concrete production. Aggregates can be produced from recycled materials by reprocessing of concrete and reinforced concrete waste. The influence of the filler aggregates produced from the crushed concrete waste on the characteristics of binder’s paste, when part of the binder (5; 10; 15; 20; 25; 30 % is replaced by such filler aggregate, is analysed in the research. Concrete mixtures with natural aggregates and crushed concrete waste were selected and concrete mixtures of required consistence were produced during the research. Exothermic reactions take place during the hardening of concrete mixture, at that time the heat is dissipated, which increases the temperature of the concrete sample. Thus the exothermic processes were investigated during the concrete’s mixture hardening period and the temperatures of exothermic reactions were determined.DOI:

  10. Biodegradation of Leonardite by an alkali-producing bacterial community and characterization of the degraded products. (United States)

    Gao, Tong-Guo; Jiang, Feng; Yang, Jin-Shui; Li, Bao-Zhen; Yuan, Hong-Li


    In this study, three bacterial communities were obtained from 12 Leonardite samples with the aim of identifying a clean, effective, and economic technique for the dissolution of Leonardite, a type of low-grade coal, in the production of humic acid (HA). The biodegradation ability and characteristics of the degraded products of the most effective bacterial community (MCSL-2), which degraded 50% of the Leonardite within 21 days, were further investigated. Analyses of elemental composition, (13)C NMR, and Fourier transform infrared revealed that the contents of C, O, and aliphatic carbon were similar in biodegraded humic acid (bHA) and chemically (alkali) extracted humic acid (cHA). However, the N and carboxyl carbon contents of bHA was higher than that of cHA. Furthermore, a positive correlation was identified between the degradation efficiency and the increasing pH of the culture medium, while increases of manganese peroxidase and esterase activities were also observed. These data demonstrated that both alkali production and enzyme reactions were involved in Leonardite solubilization by MCSL-2, although the former mechanism predominated. No fungus was observed by microscopy. Only four bacterial phylotypes were recognized, and Bacillus licheniformis-related bacteria were identified as the main group in MCSL-2 by analysis of amplified 16S rRNA genes, thus demonstrating that Leonardite degradation ability has a limited distribution in bacteria. Hormone-like bioactivities of bHA were also detected. In this study, a bacterial community capable of Leonardite degradation was identified and the products characterized. These data implicate the use of such bacteria for the exploitation of Leonardite as a biofertilizer.

  11. Alkali free hydrolysis of sodium borohydride for hydrogen generation under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, M.J.F.; Pinto, A.M.F.R. [Centro de Estudos de Fenomenos de Transporte, Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias s/n, 4200-465 Porto (Portugal); Gales, L. [Instituto de Biologia Molecular e Celular, Universidade do Porto, Rua do Campo Alegre 823, 4150-180 Porto and Instituto de Ciencias Biomedicas Abel Salazar, Largo Prof. Abel Salazar 2, 4099-003 Porto (Portugal); Fernandes, V.R.; Rangel, C.M. [Laboratorio Nacional de Energia e Geologia - LNEG, Fuel Cells and Hydrogen Unit Estrada do Paco do Lumiar 22, 1649-038 Lisboa (Portugal)


    The present study is related with the production of hydrogen gas (H{sub 2}), at elevated pressures and with high gravimetric storage density, to supply a PEM fuel cell on-demand. To achieve this goal, solid sodium borohydride (NaBH{sub 4}) was mixed with a proper amount of a powder reused nickel-ruthenium based catalyst (Ni-Ru based/NaBH{sub 4}: 0.2 and 0.4 g/g; {approx}150 times reused) inside the bottom of a batch reactor. Then, a stoichiometric amount of pure liquid water (H{sub 2}O/NaBH{sub 4}: 2-8 mol/mol) was added and the catalyzed NaBH{sub 4} hydrolysis evolved, in the absence of an alkali inhibitor. In this way, this research work is designated alkali free hydrolysis of NaBH{sub 4} for H{sub 2} generation. This type of hydrolysis is excellent from an environmental point of view because it does not involve strongly caustic solutions. Experiments were performed in three batch reactors with internal volumes 646, 369 and 229 cm{sup 3}, and having different bottom geometries (flat and conical shapes). The H{sub 2} generated was a function of the added water and completion was achieved with H{sub 2}O/NaBH{sub 4} = 8 mol/mol. The results show that hydrogen yields and rates increase remarkably increasing both system temperature and pressure. Reactor bottom shape influences deeply H{sub 2} generation: the conical bottom shape greatly enhances the rate and practically eliminates the reaction induction time. Our system of compressed hydrogen generation up to 1.26 MPa shows 6.3 wt% and 70 kg m{sup -3}, respectively, for gravimetric and volumetric hydrogen storage capacities (materials-only basis) and therefore is a viable hydrogen storage candidate for portable applications. (author)

  12. Path integral Monte Carlo study of 4He clusters doped with alkali and alkali-earth ions. (United States)

    Galli, D E; Ceperley, D M; Reatto, L


    Path integral Monte Carlo calculations of (4)He nanodroplets doped with alkali (Na(+), K(+) and Cs(+)) and alkali-earth (Be(+) and Mg(+)) ions are presented. We study the system at T = 1 K and between 14 and 128 (4)He atoms. For all studied systems, we find that the ion is well localized at the center of the droplet with the formation of a "snowball" of well-defined shells of localized (4)He atoms forming solid-like order in at least the first surrounding shell. The number of surrounding helium shells (two or three) and the number of atoms per shell and the degree of localization of the helium atoms are sensitive to the type of ion. The number of (4)He atoms in the first shell varies from 12 for Na(+) to 18 for Mg(+) and depends weakly on the size of the droplet. The study of the density profile and of the angular correlations shows that the local solid-like order is more pronounced for the alkali ions with Na(+) giving a very stable icosahedral order extending up to three shells.

  13. Structural analysis of alkali cations in mixed alkali silicate glasses by 23Na and 133Cs MAS NMR

    Directory of Open Access Journals (Sweden)

    T. Minami


    Full Text Available We report the structural analysis of Na+ and Cs+ in sodium cesium silicate glasses by using 23Na and 133Cs magic-angle spinning nuclear magnetic resonance (MAS NMR spectroscopy. In the NMR spectra of cesium silicate crystals, the peak position shifted to higher magnetic field for structures with larger Cs+ coordination numbers and to lower magnetic field for smaller Cs+ coordination numbers. The MAS NMR spectra of xNa2O-yCs2O-2SiO2 (x = 0, 0.2, 0.33, 0.5, 0.66, 0.8, 1.0; x + y = 1 glass reveal that the average coordination number of both the alkali cations decreases with increasing Cs+/(Na+ + Cs+ ratio. In addition, the coordination number of Na+ in xNa2O-yCs2O-2SiO2 glass is smaller than that of Cs+. This difference between the average coordination numbers of the alkali cations is considered to be one structural reason of the mixed alkali effect.

  14. Modifier interaction and mixed-alkali effect in bond constraint theory applied to ternary alkali metaphosphate glasses

    Directory of Open Access Journals (Sweden)

    Bruno ePoletto Rodrigues


    Full Text Available Introducing an interaction parameter γ, we implement modifier interaction and the mixed-alkali effect into bond constraint theory, and apply this extension for simplistic property prediction on ternary phosphate glasses. The severity of the mixed alkali effect results from the interplay of two simultaneous contributions: Bond constraints on the modifier species soften or stiffen with decreasing or increasing γ, respectively. When the modifier size is not too dissimilar the decrease in γ reflects that the alkali ions can easily migrate between different sites, forcing the network to continuously re-accommodate for any subsequent distortions. With increasing size difference, migration becomes increasingly difficult without considerable network deformation. This holds even for smaller ions, where the sluggish dynamics of the larger constituent result in blocking of the fast ion movement, leading to the subsequent increase in γ. Beyond a certain size difference in the modifier pair, a value of γ exceeding unity may indicate the presence of steric hindrance due to the large surrounding modifiers impeding the phosphate network to re-accommodate deformation.

  15. Quantitative investigations of aggregate systems. (United States)

    Rai, D K; Beaucage, G; Jonah, E O; Britton, D T; Sukumaran, S; Chopra, S; Gonfa, G Goro; Härting, M


    Nanomaterials with disordered, ramified structure are increasingly being used for applications where low cost and enhanced performance are desired. A particular example is the use in printed electronics of inorganic conducting and semiconducting nanoparticles. The electrical, as well as other physical properties depend on the arrangement and connectivity of the particles in such aggregate systems. Quantification of aggregate structure and development of structure/property relationships is difficult and progress in the application of these materials in electronics has mainly been empirical. In this paper, a scaling model is used to parameterize the structure of printed electronic layers. This model has chiefly been applied to polymers but surprisingly it shows applicability to these nanolayers. Disordered structures of silicon nanoparticles forming aggregates are investigated using small angle x-ray scattering coupled with the scaling model. It is expected that predictions using these structural parameters can be made for electrical properties. The approach may have wide use in understanding and designing nano-aggregates for electronic devices.

  16. Diversity, intent, and aggregated search

    NARCIS (Netherlands)

    M. de Rijke


    Diversity, intent and aggregated search are three core retrieval concepts that receive significant attention. In search result diversification one typically considers the relevance of a document in light of other retrieved documents. The goal is to identify the probable "aspects" of an ambiguous que

  17. Cyclosporine A enhances platelet aggregation. (United States)

    Grace, A A; Barradas, M A; Mikhailidis, D P; Jeremy, J Y; Moorhead, J F; Sweny, P; Dandona, P


    In view of the reported increase in thromboembolic episodes following cyclosporine A (CyA) therapy, the effect of this drug on platelet aggregation and thromboxane A2 release was investigated. The addition of CyA, at therapeutic concentrations to platelet rich plasma from normal subjects in vitro was found to increase aggregation in response to adrenaline, collagen and ADP. Ingestion of CyA by healthy volunteers was also associated with enhanced platelet aggregation. The CyA-mediated enhancement of aggregation was further enhanced by the addition in vitro of therapeutic concentrations of heparin. Platelets from renal allograft recipients treated with CyA also showed hyperaggregability and increased thromboxane A2 release, which were most marked at "peak" plasma CyA concentration and less so at "trough" concentrations. Platelet hyperaggregability in renal allograft patients on long-term CyA therapy tended to revert towards normal following the replacement of CyA with azathioprine. Hypertensive patients with renal allografts on nifedipine therapy had normal platelet function and thromboxane release in spite of CyA therapy. These observations suggest that CyA-mediated platelet activation may contribute to the pathogenesis of the thromboembolic phenomena associated with the use of this drug. The increased release of thromboxane A2 (a vasoconstrictor) may also play a role in mediating CyA-related nephrotoxicity.

  18. Sequence-dependent internalization of aggregating peptides. (United States)

    Couceiro, José R; Gallardo, Rodrigo; De Smet, Frederik; De Baets, Greet; Baatsen, Pieter; Annaert, Wim; Roose, Kenny; Saelens, Xavier; Schymkowitz, Joost; Rousseau, Frederic


    Recently, a number of aggregation disease polypeptides have been shown to spread from cell to cell, thereby displaying prionoid behavior. Studying aggregate internalization, however, is often hampered by the complex kinetics of the aggregation process, resulting in the concomitant uptake of aggregates of different sizes by competing mechanisms, which makes it difficult to isolate pathway-specific responses to aggregates. We designed synthetic aggregating peptides bearing different aggregation propensities with the aim of producing modes of uptake that are sufficiently distinct to differentially analyze the cellular response to internalization. We found that small acidic aggregates (≤500 nm in diameter) were taken up by nonspecific endocytosis as part of the fluid phase and traveled through the endosomal compartment to lysosomes. By contrast, bigger basic aggregates (>1 μm) were taken up through a mechanism dependent on cytoskeletal reorganization and membrane remodeling with the morphological hallmarks of phagocytosis. Importantly, the properties of these aggregates determined not only the mechanism of internalization but also the involvement of the proteostatic machinery (the assembly of interconnected networks that control the biogenesis, folding, trafficking, and degradation of proteins) in the process; whereas the internalization of small acidic aggregates is HSF1-independent, the uptake of larger basic aggregates was HSF1-dependent, requiring Hsp70. Our results show that the biophysical properties of aggregates determine both their mechanism of internalization and proteostatic response. It remains to be seen whether these differences in cellular response contribute to the particular role of specific aggregated proteins in disease.

  19. Pretreatment of garden biomass by alkali-assisted ultrasonication: effects on enzymatic hydrolysis and ultrastructural changes. (United States)

    Gabhane, Jagdish; William, Spm Prince; Vaidya, Atul Narayan; Anand, Duraisamy; Wate, Satish


    The present investigation aims at studying the effectiveness of alkali-assisted ultrasonication on pretreatment of garden biomass (GB). Dry and powdered GB suspended in 1% NaOH was ultrasonicated for 15, 30 and 60 minutes at a frequency of 25 KHZ. The mode of action and effectiveness of alkali-assisted ultrasonication on GB was established through microscopic, scanning electron microscopic and X-ray diffraction studies. A perusal of results showed that alkali-assisted ultrasonication led to fibrillation of GB which ultimately facilitated enzymatic hydrolysis. The results also indicated that alkali-assisted ultrasonication is an efficient means of pretreatment of GB at moderate (45-50°C) working temperature and low (1%) concentration of alkali. The yield of reducing sugar after enzymatic hydrolysis increased almost six times as compared to control due to alkali-assisted ultrasonication.

  20. Effect of Alkali Stress on Soluble Sugar, Antioxidant Enzymes and Yield of Oat

    Institute of Scientific and Technical Information of China (English)

    BAI Jian-hui; LIU Jing-hui; ZHANG Na; YANG Jun-heng; SA Ru-la; WU Lan


    Alkali stress can cause severe crop damage and reduce production. However, physiological processes involved in alkali stress in oat seedlings are not well understood. In this study, physiological responses and yield of oat to alkali stress were studied using the alkali-tolerant oat genotype Vao-9 and the alkali-sensitive oat genotype Baiyan 5. The results were:(i) low concentrations of alkali stress (25 and 50 mmol L-1) significantly reduced the yield and grain weight while increased the oat grain number per spike. A negative correlation between yield and malondialdehyde (MDA) content at the jointing and grain filling stages and positive correlations between yield on one hand and superoxide dismutase (SOD), and peroxidase (POD) activities on the other at the jointing stage were observed. There was a positive correlation between MDA and soluble sugar at the grain filling stage;(ii) soluble sugar content was increased at the jointing and grain filling stages and decreased at the heading stage by alkali stress;(iii) alkali stress increased the SOD activity during the heading and grain filling stages, and increased the POD activity at the heading stage. As compared to the control, the increase of MDA contents in alkali-treated oat was observed, during the jointing, heading and grain filling stages;(iv) under alkali stress, the oat genotype Vao-9 showed higher antioxidant enzyme activity and lower soluble sugar contents during the heading stage, and lower MDA contents than those in the oat genotype Baiyan 5 under alkali stress. The result suggested that the high ROS scavenging capacity and soluble sugar levels might play roles in oat response to alkali stress.

  1. Calculation of Radiative Corrections to E1 matrix elements in the Neutral Alkalis

    Energy Technology Data Exchange (ETDEWEB)

    Sapirstein, J; Cheng, K T


    Radiative corrections to E1 matrix elements for ns-np transitions in the alkali metal atoms lithium through francium are evaluated. They are found to be small for the lighter alkalis but significantly larger for the heavier alkalis, and in the case of cesium much larger than the experimental accuracy. The relation of the matrix element calculation to a recent decay rate calculation for hydrogenic ions is discussed, and application of the method to parity nonconservation in cesium is described.

  2. Decay curve analysis of alkali-silicate glass exposed to electrons

    CERN Document Server

    Gedeon, O


    Binary and ternary potassium, rubidium and caesium glasses were irradiated by an electron beam with energy varying from 10 to 50 keV. Alkali ion x-ray decays were recorded and afterward incubation periods were determined. The incubation period versus electron energy curves revealed thresholds, which are typical for each alkali species. The threshold ratios are proportional to the mass of the alkali species, consistent with the suggested elastic scattering assisted hopping mechanism. (author)

  3. Platelet-collagen adhesion enhances platelet aggregation induced by binding of VWF to platelets

    Energy Technology Data Exchange (ETDEWEB)

    Laduca, F.M.; Bell, W.R.; Bettigole, R.E. (Johns Hopkins Univ. School of Medicine, Baltimore, MD (USA) State Univ. of New York, Buffalo (USA))


    Ristocetin-induced platelet aggregation (RIPA) was evaluated in the presence of platelet-collagen adhesion. RIPA of normal donor platelet-rich plasma (PRP) demonstrated a primary wave of aggregation mediated by the binding of von Willebrand factor (VWF) to platelets and a secondary aggregation wave, due to a platelet-release reaction, initiated by VWF-platelet binding and inhibitable by acetylsalicylic acid (ASA). An enhanced RIPA was observed in PRP samples to which collagen had been previously added. These subthreshold concentrations of collagen, which by themselves were insufficient to induce aggregation, caused measurable platelet-collagen adhesion. Subthreshold collagen did not cause microplatelet aggregation, platelet release of ({sup 3}H)serotonin, or alter the dose-responsive binding of {sup 125}I-labeled VWF to platelets, which occurred with increasing ristocetin concentrations. However, ASA inhibition of the platelet release reaction prevented collagen-enhanced RIPA. These results demonstrate that platelet-collagen adhesion altered the platelet-release reaction induced by the binding of VWF to platelets causing a platelet-release reaction at a level of VWF-platelet binding not normally initiating a secondary aggregation. These findings suggest that platelet-collagen adhesion enhances platelet function mediated by VWF.

  4. Amplification of Chirality through Self-Replication of Micellar Aggregates in Water

    KAUST Repository

    Bukhriakov, Konstantin


    We describe a system in which the self-replication of micellar aggregates results in a spontaneous amplification of chirality in the reaction products. In this system, amphiphiles are synthesized from two "clickable" fragments: a water-soluble "head" and a hydrophobic "tail". Under biphasic conditions, the reaction is autocatalytic, as aggregates facilitate the transfer of hydrophobic molecules to the aqueous phase. When chiral, partially enantioenriched surfactant heads are used, a strong nonlinear induction of chirality in the reaction products is observed. Preseeding the reaction mixture with an amphiphile of one chirality results in the amplification of this product and therefore information transfer between generations of self-replicating aggregates. Because our amphiphiles are capable of catalysis, information transfer, and self-assembly into bounded structures, they present a plausible model for prenucleic acid "lipid world" entities. © 2015 American Chemical Society.

  5. The effect of surfactant and solid phase concentration on drug aggregates in model aerosol propellent suspensions. (United States)

    Bower, C; Washington, C; Purewal, T S


    The effect of increasing solid phase concentration on the morphology and flocculation rate of model aerosol suspensions has been investigated. Suspensions of micronized salbutamol sulphate and lactose in trichlorotrifluoroethane (P113) were studied under conditions of increasing shear stress. By use of image analysis techniques, measurement of aggregate size, fractal dimension and rate of aggregation was performed. The effect of the surfactant sorbitan monooleate on morphology and flocculation rate was also studied. Increased solid phase concentration caused an increase in the rate of aggregation and average aggregate size at a given value of shear stress. Surfactant addition retarded the aggregation rate, and caused a shift from a diffusion-limited cluster aggregation to a reaction-limited cluster aggregation mechanism. The aggregate profiles showed a corresponding change from rugged and crenellated without surfactant, to increasingly smooth and Euclidian with increasing surfactant concentration. The morphological changes were characterized by a decrease in the average boundary fractal dimension which also correlated well with the corresponding reduction in aggregation rate.

  6. Use of precalciners to remove alkali from raw materials in the cement industry. Quarterly technical progress report, November 1979-January 1980

    Energy Technology Data Exchange (ETDEWEB)

    Gartner, E.M.


    Experiments using the sulfate fusion technique have continued. High degrees of alkali removal have been achieved using CaSO/sub 4/ admixtures with added CaCl/sub 2/ and Mg(NO/sub 3/)/sub 2/. The presence of Mg/sup 2 +/ or Cl/sup -/ in the mixtures did not affect the phase separation significantly. There was considerable evidence for preferential migration of K/sup +/ into the sulfate phase, relative to Na/sup +/. A new technique, the powder drop method, was used to attempt to more closely simulate the alkali removal reactions which would occur in a reactor. Rapid removal of K/sup +/ from most minerals was shown to occur with a sulfate melt initially containing 20% Na/sub 2/SO/sub 4/ and 80% CaSO/sub 4/. However, in most cases, the Na/sup +/ content of the slag layer actually increased.

  7. Biodiesel synthesis combining pre-esterification with alkali catalyzed process from rapeseed oil deodorizer distillate

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yun; Wang, Ling; Yan, Yunjun [College of Life Science and Technology, Huazhong University of Science and Technology, Wuhan, 430074 (China)


    A two-step technique combining pre-esterification catalyzed by cation exchange resin with transesterification catalyzed by base alkali was developed to produce biodiesel from rapeseed oil deodorizer distillate (RDOD). The free fatty acids (FFAs) in the feedstock were converted to methyl esters in the pre-esterification step using a column reactor packed with cation exchange resin. The acid value of oil was reduced from the initial 97.60 mg-KOH g{sup -1} oil to 1.12 mg-KOH g{sup -1} oil under the conditions of cation exchange resin D002 catalyst packed dosage 18 wt.% (based on oil weight), oil to methanol molar ratio 1:9, reaction temperature 60 C, and reaction time 4 h. The biodiesel yield by transesterification was 97.4% in 1.5 h using 0.8 wt.% KOH as catalyst and a molar ratio of oil to methanol 1:4 at 60 C. The properties of RDOD biodiesel production in a packed column reactor followed by KOH catalyzed transesterification were measured up the standards of EN14214 and ASTM6751-03. (author)

  8. Bioethanol Production from Paper Fibre Residue Using Diluted Alkali Hydrolysis and the Fermentation Process

    Directory of Open Access Journals (Sweden)

    G. Sathya Geetha


    Full Text Available The state of art for the bioethanol production from paper fibre residue using diluted alkali hydrolysis and fermentation processes was evaluated. Hydrolysis of paper fibre residue with diluted sodium hydroxide at various time period, temperature and concentration were investigated. The paper fibre residue was pre-steamed, impregnated with diluted NaOH (0 to 25% and subsequently hydrolyzed in a reactor at temperatures that ranged between 30 to 50 oC, for reaction time between 30 minutes to 150 minutes. The highest yield of monosaccharide (indicating the efficient hydrolysis of cellulose and hemi cellulose was found at a temperature of 35 oC for a reaction time of 90 minutes. Fermentability of hemicelluloses hydrolysate was tested using monosaccharide fermenting microorganism Penicillium chrysogenum and Saccharomyces cereviacea. The fermentability of the hydrolysate decreased strongly for hydrolysate produced at temperature higher than 50 oC. The ethanol concentration of monosaccharide hydrolysate was found to be 34.06 g/L and the ethanol yield was 0.097 g/g.

  9. Kinetics of aggregation growth with competition between catalyzed birth and catalyzed death

    Institute of Scientific and Technical Information of China (English)

    Wang Hai-Feng; Lin Zhen-Quan; Gao Yan


    An aggregation growth model of three species A, B and C with the competition between catalyzed birth and catalyzed death is proposed. Irreversible aggregation occurs between any two aggregates of the like species with the constant rate kernels In(n = 1, 2, 3). Meanwhile, a monomer birth of an A species aggregate of size k occurs under the catalysis of a B species aggregate of size j with the catalyzed birth rate kernel K(k,j) = Kkjv, and a monomer death of an A species aggregate of size k occurs under the catalysis of a C species aggregate of size j with the catalyzed death rate kernel L(k, j) = Lkjv, where v is a parameter reflecting the dependence of the catalysis reaction rates of birth and death on the size of catalyst aggregate. The kinetic evolution behaviours of the three species are investigated by the rate equation approach based on the mean-field theory. The form of the aggregate size distribution of A species ak(t) is found to be dependent crucially on the competition between the catalyzed birth and death of A species, as well as the irreversible aggregation processes of the three species: (1) In the v < 0 case, the irreversible aggregation dominates the process, and ak(t) satisfies the conventional scaling form; (2) In the v ≥ 0 case, the competition between the catalyzed birth and death dominates the process. When the catalyzed birth controls the process, ak(t) takes the conventional or generalized scaling form. While the catalyzed death controls the process, the scaling description of the aggregate size distribution breaks down completely.


    Directory of Open Access Journals (Sweden)

    Maris Angela


    Full Text Available In the paper the authors present a model aggregate rating based on credit-scoring models, banking models and their rating model. Multi-criteria approach and an aggregate model better capture business risk of the company.

  11. Application of high hydrostatic pressure to dissociate aggregates and refold proteins. (United States)

    Seefeldt, Matthew B; Rosendahl, Mary S; Cleland, Jeffrey L; Hesterberg, Lyndal K


    Non-denaturing pressures of around 2000 bar are effective for eliminating and refolding protein aggregates and may be applicable in various phases of protein manufacturing to decrease aggregate levels in products and improve process yields. Lower aggregate levels can result in reduced immunogenicity of proteins and enable the correct refolding of proteins that might not be recovered with traditional techniques. High pressure treatment can also be used to conduct selective PEGylation and protease cleavage reactions while minimizing protein aggregation. High pressure processes have been used in the food industry for over 50 years and large scale (300 L) systems are commercially available, enabling production of proteins on the kilogram scale. This review summarizes the utility of high pressure refolding to remove and refold protein aggregates, enhance therapeutic proteins, and facilitate manufacturing improvements at industrial scales.

  12. Interaction of alkali and alkaline earth ions with Ochratoxin A

    Energy Technology Data Exchange (ETDEWEB)

    Poor, Miklos [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary); Kunsagi-Mate, Sandor; Matisz, Gergely; Li, Yin; Czibulya, Zsuzsanna [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Janos Szentagothai Research Center, Pecs H-7624 (Hungary); Peles-Lemli, Beata [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Koszegi, Tamas, E-mail: [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary)


    The effect of alkali and alkaline earth ions on the chemical equilibrium of mono- and dianionic forms of the mycotoxin Ochratoxin A (OTA) and their bonding onto the surface of Bovine Serum Albumin (BSA) have been investigated by fluorescence spectroscopy and fluorescence polarization techniques. Our results show that alkali metal ions shift the chemical equilibrium towards formation of dianionic form of OTA. Furthermore, the alkaline earth ions can compete with BSA for binding to OTA when these ions are present in millimolar concentrations. Our data also highlight the possibility that the 'free' fraction of OTA (not bound onto the surface of albumin) or at least a part of it is present in cation-bound form in body fluids. These observations are supported by stability constants and quantum-chemical calculations. Among the studied alkaline metal ions magnesium showed the highest affinity towards OTA under physiological conditions. Further research is required to analyze the potential significance of Mg{sup 2+}-OTA complex in cellular uptake and/or elimination of the toxin in the human body. - Highlights: Black-Right-Pointing-Pointer Fluorescence spectroscopy reveals cation-Ochratoxin A (OTA) interactions. Black-Right-Pointing-Pointer Alkali ions shift the equilibrium of OTA to formation of a dianionic structure. Black-Right-Pointing-Pointer Alkaline earth ions directly bind to OTA in the order: Mg{sup 2+}, Ca{sup 2+}, Ba{sup 2+}. Black-Right-Pointing-Pointer Quantum chemical calculations and logK values support our experimental data.

  13. Exotic s-wave superconductivity in alkali-doped fullerides. (United States)

    Nomura, Yusuke; Sakai, Shiro; Capone, Massimo; Arita, Ryotaro


    Alkali-doped fullerides (A3C60 with A = K, Rb, Cs) show a surprising phase diagram, in which a high transition-temperature (Tc) s-wave superconducting state emerges next to a Mott insulating phase as a function of the lattice spacing. This is in contrast with the common belief that Mott physics and phonon-driven s-wave superconductivity are incompatible, raising a fundamental question on the mechanism of the high-Tc superconductivity. This article reviews recent ab initio calculations, which have succeeded in reproducing comprehensively the experimental phase diagram with high accuracy and elucidated an unusual cooperation between the electron-phonon coupling and the electron-electron interactions leading to Mott localization to realize an unconventional s-wave superconductivity in the alkali-doped fullerides. A driving force behind the exotic physics is unusual intramolecular interactions, characterized by the coexistence of a strongly repulsive Coulomb interaction and a small effectively negative exchange interaction. This is realized by a subtle energy balance between the coupling with the Jahn-Teller phonons and Hund's coupling within the C60 molecule. The unusual form of the interaction leads to a formation of pairs of up- and down-spin electrons on the molecules, which enables the s-wave pairing. The emergent superconductivity crucially relies on the presence of the Jahn-Teller phonons, but surprisingly benefits from the strong correlations because the correlations suppress the kinetic energy of the electrons and help the formation of the electron pairs, in agreement with previous model calculations. This confirms that the alkali-doped fullerides are a new type of unconventional superconductors, where the unusual synergy between the phonons and Coulomb interactions drives the high-Tc superconductivity.

  14. Exotic s-wave superconductivity in alkali-doped fullerides (United States)

    Nomura, Yusuke; Sakai, Shiro; Capone, Massimo; Arita, Ryotaro


    Alkali-doped fullerides ({{A}3}{{\\text{C}}60} with A  =  K, Rb, Cs) show a surprising phase diagram, in which a high transition-temperature ({{T}\\text{c}} ) s-wave superconducting state emerges next to a Mott insulating phase as a function of the lattice spacing. This is in contrast with the common belief that Mott physics and phonon-driven s-wave superconductivity are incompatible, raising a fundamental question on the mechanism of the high-{{T}\\text{c}} superconductivity. This article reviews recent ab initio calculations, which have succeeded in reproducing comprehensively the experimental phase diagram with high accuracy and elucidated an unusual cooperation between the electron-phonon coupling and the electron-electron interactions leading to Mott localization to realize an unconventional s-wave superconductivity in the alkali-doped fullerides. A driving force behind the exotic physics is unusual intramolecular interactions, characterized by the coexistence of a strongly repulsive Coulomb interaction and a small effectively negative exchange interaction. This is realized by a subtle energy balance between the coupling with the Jahn-Teller phonons and Hund’s coupling within the {{\\text{C}}60} molecule. The unusual form of the interaction leads to a formation of pairs of up- and down-spin electrons on the molecules, which enables the s-wave pairing. The emergent superconductivity crucially relies on the presence of the Jahn-Teller phonons, but surprisingly benefits from the strong correlations because the correlations suppress the kinetic energy of the electrons and help the formation of the electron pairs, in agreement with previous model calculations. This confirms that the alkali-doped fullerides are a new type of unconventional superconductors, where the unusual synergy between the phonons and Coulomb interactions drives the high-{{T}\\text{c}} superconductivity.

  15. Intuitionistic fuzzy aggregation and clustering

    CERN Document Server

    Xu, Zeshui


    This book offers a systematic introduction to the clustering algorithms for intuitionistic fuzzy values, the latest research results in intuitionistic fuzzy aggregation techniques, the extended results in interval-valued intuitionistic fuzzy environments, and their applications in multi-attribute decision making, such as supply chain management, military system performance evaluation, project management, venture capital, information system selection, building materials classification, and operational plan assessment, etc.

  16. Linear Array Ultrasonic Test Results from Alkali-Silica Reaction (ASR) Specimens

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, Dwight A [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Khazanovich, Dr. Lev [Univ. of Minnesota, Minneapolis, MN (United States); Salles, Lucio [Univ. of Minnesota, Minneapolis, MN (United States)


    The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years. Since many important safety structures in an NPP are constructed of concrete, inspection techniques must be developed and tested to evaluate the internal condition. In-service containment structures generally do not allow for the destructive measures necessary to validate the accuracy of these inspection techniques. This creates a need for comparative testing of the various nondestructive evaluation (NDE) measurement techniques on concrete specimens with known material properties, voids, internal microstructure flaws, and reinforcement locations.This report presents results of the ultrasound evaluation of four concrete slabs with varying levels of ASR damage present. This included an investigation of the experimental results, as well as a supplemental simulation considering the effect of ASR damage by elasto-dynamic wave propagation using a finite integration technique method. It was found that the Hilbert Transform Indicator (HTI), developed for quantification of freeze/thaw damage in concrete structures, could also be successfully utilized for quantification of ASR damage. internal microstructure flaws, and reinforcement locations.

  17. Fabrication method for microscopic vapor cells for alkali atoms. (United States)

    Baluktsian, T; Urban, C; Bublat, T; Giessen, H; Löw, R; Pfau, T


    A quantum network that consists of several components should ideally work on a single physical platform. Neutral alkali atoms have the potential to be very well suited for this purpose due to their electronic structure, which involves long-lived nuclear spins and very sensitive highly excited Rydberg states. In this Letter, we describe a fabrication method based on quartz glass to structure arbitrary shapes of microscopic vapor cells. We show that the usual spectroscopic properties known from macroscopic vapor cells are almost unaffected by the strong confinement.

  18. Electric dipole polarizabilities of Rydberg states of alkali atoms

    CERN Document Server

    Yerokhin, V A; Fritzsche, S; Surzhykov, A


    Calculations of the static electric-dipole scalar and tensor polarizabilities are presented for two alkali atoms, Rb and Cs, for the $nS$, $nP_{1/2, 3/2}$, and $nD_{3/2, 5/2}$ states with large principal quantum numbers up to $n = 50$. The calculations are performed within an effective one-electron approximation, based on the Dirac-Fock Hamiltonian with a semi-empirical core-polarization potential. The obtained results are compared with those from a simpler semi-empirical approach and with available experimental data.

  19. Integrated oil production and upgrading using molten alkali metal

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard


    A method that combines the oil retorting process (or other process needed to obtain/extract heavy oil or bitumen) with the process for upgrading these materials using sodium or other alkali metals. Specifically, the shale gas or other gases that are obtained from the retorting/extraction process may be introduced into the upgrading reactor and used to upgrade the oil feedstock. Also, the solid materials obtained from the reactor may be used as a fuel source, thereby providing the heat necessary for the retorting/extraction process. Other forms of integration are also disclosed.

  20. Hypercalcemic encephalopathy due to milk alkali syndrome and injection teriparatide

    Directory of Open Access Journals (Sweden)

    Sandeep Kharb


    Full Text Available An 82-year-old male, a known case of severe osteoporosis with vertebral fracture and prostatic carcinoma, was treated with gonadotropin releasing hormone analogue, calcium carbonate, cholecalciferol sachet and injection teriparatide. His diet consisted of milk and curd. He developed altered behavior and generalized weakness, and on investigation, hypercalcemia, hypokalemia, and metabolic alkalosis with low parathyroid hormone levels were detected. Injection teriparatide was stopped and he was managed with forced saline diuresis and injection zoledronic acid. He was diagnosed as a case of milk alkali syndrome in whom teriparatide and prolonged immobilization played a permissive role in the development of hypercalcemic encephalopathy.

  1. Chemical compatibility of structural materials in alkali metals

    Energy Technology Data Exchange (ETDEWEB)

    Natesan, K.; Rink, D.L.; Haglund, R. [Argonne National Lab., Chicago, IL (United States)] [and others


    The objectives of this task are to (a) evaluate the chemical compatibility of structural alloys such as V-5 wt.%Cr-5 wt.%Ti alloy and Type 316 stainless steel for application in liquid alkali metals such as lithium and sodium-78 wt.% potassium (NaK) at temperatures in the range that are of interest for International Thermonuclear Experimental Reactor (ITER); (b) evaluate the transfer of nonmetallic elements such as oxygen, nitrogen, carbon, and hydrogen between structural materials and liquid metals; and (c) evaluate the effects of such transfers on the mechanical and microstructural characteristics of the materials for long-term service in liquid-metal-environments.

  2. Analysis and modeling of alkali halide aqueous solutions

    DEFF Research Database (Denmark)

    Kim, Sun Hyung; Anantpinijwatna, Amata; Kang, Jeong Won;


    A new model is proposed for correlation and prediction of thermodynamic properties of electrolyte solutions. In the proposed model, terms of a second virial coefficient-type and of a KT-UNIFAC model are used to account for a contribution of binary interactions between ion and ion, and water and ion...... on calculations for various electrolyte properties of alkali halide aqueous solutions such as mean ionic activity coefficients, osmotic coefficients, and salt solubilities. The model covers highly nonideal electrolyte systems such as lithium chloride, lithium bromide and lithium iodide, that is, systems...

  3. Precision two-photon spectroscopy of alkali elements

    Indian Academy of Sciences (India)

    P V Kiran Kumar; M V Suryanarayana


    In this paper, we have briefly reviewed the work on two-photon spectroscopy of alkali elements and its applications. The technique of Doppler-free two-photon spectroscopy is briefly summarized. A review of various techniques adopted for measuring absolute frequencies of the atomic transitions and precision measurements of isotope shifts and hyperfine structures (HFS) is presented. Some of the recent works on precision measurements of HFS constants of 6 ${}^2S_{1/2}$ level of ${}^{39}$K and ${}^{41}$K, 9 ${}^2S_{1/2}$ level and 7 ${}^2D_{3/2}$ level of 133Cs are also discussed.

  4. Electrochemical synthesis of alkali-intercalated iron selenide superconductors

    Institute of Scientific and Technical Information of China (English)

    申士杰; 应天平; 王刚; 金士锋; 张韩; 林志萍; 陈小龙


    Electrochemical method has been used to insert K/Na into FeSe lattice to prepare alkali-intercalated iron selenides at room temperature. Magnetization measurement reveals that KxFe2Se2 and NaxFe2Se2 are superconductive at 31 K and 46 K, respectively. This is the first successful report of obtaining metal-intercalated FeSe-based high-temperature superconductors using electrochemical method. It provides an effective route to synthesize metal-intercalated layered compounds for new superconductor exploration.

  5. Surface phonons on Al(111) surface covered by alkali metals (United States)

    Rusina, G. G.; Eremeev, S. V.; Borisova, S. D.; Sklyadneva, I. Yu.; Chulkov, E. V.


    We investigated the vibrational and structural properties of the Al(111)-(3×3)R30°-AM (AM=Na,K,Li) adsorbed systems using interaction potentials from the embedded-atom method. The surface relaxation, surface phonon dispersion, and polarization of vibrational modes for the alkali adatoms and the substrate atoms as well as the local density of states are discussed. Our calculated structural parameters are in close agreement with experimental and ab initio results. The obtained vibrational frequencies compare fairly well with the available experimental data.

  6. Wave optics simulation of diode pumped alkali laser (DPAL) (United States)

    Endo, Masamori; Nagaoka, Ryuji; Nagaoka, Hiroki; Nagai, Toru; Wani, Fumio


    A numerical simulation code for a diode pumped alkali laser (DPAL) was developed. The code employs the Fresnel- Kirchhoff diffraction integral for both laser mode and pump light propagations. A three-dimensional rate equation set was developed to determine the local gain. The spectral divergence of the pump beam was represented by a series of monochromatic beams with different wavelengths. The calculated results showed an excellent agreements with relevant experimental results. It was found that the main channel of the pump power drain is the spontaneous emission from the upper level of the lasing transition.

  7. Theoretical determination of the alkali-metal superoxide bond energies (United States)

    Partridge, Harry; Bauschlicher, Charles W., Jr.; Sodupe, Mariona; Langhoff, Stephen R.


    The bond dissociation energies for the alkali-metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional level. Our computed D0 values are 61.4, 37.2, 40.6, and 38.4 kcal/mol for LiO2, NaO2, KO2, and RbO2, respectively. These values, which are expected to be lower bounds and accurate to 2 kcal/mol, agree well with some of the older flame data, but rule out several recent experimental measurements.

  8. Familial aggregation of cluster headache

    Directory of Open Access Journals (Sweden)

    Simao Cruz


    Full Text Available Several studies suggest a strong familial aggregation for cluster headache (CH, but so far none of them have included subjects with probable cluster headache (PCH in accordance with the International Classification of Headache Disorders. Objective To identify cases of probable cluster headache and to assess the familial aggregation of cluster headache by including these subjects. Method Thirty-six patients attending a headache consultation and diagnosed with trigeminal autonomic headaches were subjected to a questionnaire-based interview. A telephone interview was also applied to all the relatives who were pointed out as possibly affected as well as to some of the remaining relatives. Results Twenty-four probands fulfilled the criteria for CH or PCH; they had 142 first-degree relatives, of whom five were found to have CH or PCH, including one case of CH sine headache. The risk for first-degree relatives was observed to be increased by 35- to 46-fold. Conclusion Our results suggest a familial aggregation of cluster headache in the Portuguese population.

  9. Effects of Heavy Metals and Saline-alkali on Growth, Physiology and Biochemistry of Orychophragmus violaceus

    Institute of Scientific and Technical Information of China (English)

    Xiaoai ZHANG; Zhihui WANG; Xinquan ZHANG; Mingyang Ll; Jing ZUO


    Abstract [Oh.jective] The aim was to study on effects of heavy metals and saline-al- kali on growth, physiology and biochemistry of Orychophragmus violaceus. [Method] Taken Orychophragmus violaceus as materials, growth, physiology and biochemistry were explored under stress of saline-alkali and heavy metals (light, moderate and se- vere saline-alkali, Pb, Pb + Cd, light saline-alkali + Pb, moderate saline-alkali + Pb, severe saline-alkali + Pb, light saline-alkali + Pb + Cd, moderate saline-alkali + Pb + Cd and severe saline-alkali + Pb + Cd) with control group set. [Result] Light stress of saline-alkali had little effect on membrane permeability, as follows: MDA contents in leaves and root systems declined by 25.6% and 9.0% compared with control group; Pb (500 mg/L) stress promoted synthetization of photosynthetic pigments, as follows: chlorophyll a and b and carotenoid increased by 0.86%, 0.69% and 6.25% than those of control group; combined stresses of Pb and Cd destroyed synthetization of photosynthetic pigments, among which carotenoid was more sensitive; under com- bined stresses of saline-alkali, Pb and Cd, POD and SOD activities, soluble saccha- rides and Pro content all increased and activities of POD and SOD in root system were both higher than those in leaves. [Conclusion] Orychophragmus violaceus is with resistance against light combined stresses of saline-alkali and Pb (500 mg/L).

  10. Food composition and acid-base balance: alimentary alkali depletion and acid load in herbivores. (United States)

    Kiwull-Schöne, Heidrun; Kiwull, Peter; Manz, Friedrich; Kalhoff, Hermann


    Alkali-enriched diets are recommended for humans to diminish the net acid load of their usual diet. In contrast, herbivores have to deal with a high dietary alkali impact on acid-base balance. Here we explore the role of nutritional alkali in experimentally induced chronic metabolic acidosis. Data were collected from healthy male adult rabbits kept in metabolism cages to obtain 24-h urine and arterial blood samples. Randomized groups consumed rabbit diets ad libitum, providing sufficient energy but variable alkali load. One subgroup (n = 10) received high-alkali food and approximately 15 mEq/kg ammonium chloride (NH4Cl) with its drinking water for 5 d. Another group (n = 14) was fed low-alkali food for 5 d and given approximately 4 mEq/kg NH4Cl daily for the last 2 d. The wide range of alimentary acid-base load was significantly reflected by renal base excretion, but normal acid-base conditions were maintained in the arterial blood. In rabbits fed a high-alkali diet, the excreted alkaline urine (pH(u) > 8.0) typically contained a large amount of precipitated carbonate, whereas in rabbits fed a low-alkali diet, both pH(u) and precipitate decreased considerably. During high-alkali feeding, application of NH4Cl likewise decreased pH(u), but arterial pH was still maintained with no indication of metabolic acidosis. During low-alkali feeding, a comparably small amount of added NH4Cl further lowered pH(u) and was accompanied by a significant systemic metabolic acidosis. We conclude that exhausted renal base-saving function by dietary alkali depletion is a prerequisite for growing susceptibility to NH4Cl-induced chronic metabolic acidosis in the herbivore rabbit.

  11. The Distribution of Sand with Alkali Activity from Danjiang River in Shangluo and Its Safe Handling%商洛丹江河砂碱活性区域分布与安全使用措施

    Institute of Scientific and Technical Information of China (English)

    王绪旺; 周春生


    Aggregate alkali activity affects the durability and safety of the concrete constructions . Here , petrographic method and accelerated mortar bar method were adopted to identify and detect the alkali activity of the sand in Danjiang river ,Shangluo ,and then the distribution characteristics of sand with alkali activity was obtained based on the experi-mental research ,which could provide some guidance for the sand safety of concrete constructions .Petrographic analysis results indicate that the mineral composition of Danjiang River sand is basically the same , it' s mainly composed of quartz ,feldspar ,calcite ,mica and mixed sand ,with very little alkali active mineral composition .The accelerated mortar bar test results indicate that:the Danjiang River sand has no alkali activity ,but there are potential active components of aggregate .After adding 15% fly ash (weight ) ,the expansion rate of the sample block is reduced ,which indicates that the fly ash has a good inhibition effect on alkali activity of river sand ,and other measures should be taken to ensure the safety of concrete constructions .%骨料的碱活性影响着混凝土工程的安全耐久 ,采用岩相法和快速砂浆棒法对商洛市丹江河砂是否具有碱活性进行了鉴定检测和实验研究 ,并分析出丹江河砂碱活性的区域分布特征 ,为混凝土工程用砂安全提供参考.岩相分析结果表明 :丹江河砂的矿物组成成分基本相同 ,主要由石英、长石、方解石、云母和杂砂组成 ,具有碱活性矿物成分较少.快速砂浆棒法测试结果表明 :丹江河砂不具有碱活性 ,但是存在潜在的骨料活性成分.掺加15% 粉煤灰后 ,测定试件膨胀率降低 ,表明粉煤灰对河砂的碱活性起到了良好的抑制作用 ,使用时还应采取其它一定措施 ,以保证混凝土的使用安全.

  12. Dispersion coefficients for the interaction of inert gas atoms with alkali and alkaline earth ions and alkali atoms with their singly ionized ions

    CERN Document Server

    Singh, Sukhjit; Sahoo, B K; Arora, Bindiya


    We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not...

  13. The Pozzolanic reaction of silica fume

    DEFF Research Database (Denmark)

    Jensen, Ole Mejlhede


    Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone. In the ...... of activation of the pozzolanic reaction of silica fume is estimated. The results show that the pozzolanic reaction of silica fume has notable differences from Portland cement hydration.......Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone....... In the present paper different aspects of the pozzolanic reaction of silica fume are investigated. These include chemical shrinkage, isothermal heat development and strength development. Key data for these are given and compared with theoretical calculations, and based on presented measurements the energy...

  14. An exact approach for aggregated formulations

    DEFF Research Database (Denmark)

    Gamst, Mette; Spoorendonk, Simon

    cause an infeasible solution. In this paper, we consider (mixed) integer program formulations and propose a method for ensuring an optimal solution to the original (disaggregated) problem using an aggregated formulation. The method is based on Benders’ decomposition on a combination of the disaggregated...... mathematical formulation and the aggregated formulation. The method allows usage of relaxed aggregated formulations and enables branching on both aggregated and disaggregated variables. Also, the method guarantees an LP bound at least as good as those for the disaggregated and aggregated formulations...

  15. [Lysophosphatidic acid and human erythrocyte aggregation]. (United States)

    Sheremet'ev, Iu A; Popovicheva, A N; Levin, G Ia


    The effects of lysophosphatidic acid on the morphology and aggregation of human erythrocytes has been studied. Morphology of erythrocytes and their aggregates were studied by light microscopy. It has been shown that lysophosphatidic acid changes the shape of red blood cells: diskocyte become echinocytes. Aggregation of red blood cells (rouleaux) was significantly reduced in autoplasma. At the same time there is a strong aggregation of echinocytes. This was accompanied by the formation of microvesicles. Adding normal plasma to echinocytes restores shape and aggregation of red blood cells consisting of "rouleaux". A possible mechanism of action of lysophosphatidic acid on erythrocytes is discussed.


    Sheremet'ev, Yu A; Popovicheva, A N; Rogozin, M M; Levin, G Ya


    An aggregation of erythrocytes in autologous plasma after blood storage for 14 days at 4 °C was studied using photometry and light microscopy. The decrease of ATP content, the formation of echinocytes and spheroechinocytes, the decrease of rouleaux form of erythrocyte aggregation were observed during the storage. On the other hand the aggregates of echinocytes were formed in the stored blood. The addition of plasma from the fresh blood didn't restore the normal discocytic shape and aggregation of erythrocytes in the stored blood. The possible mechanisms of erythrocytes and echinocytes aggregation are discussed.

  17. Structural Investigation of Alkali Activated Clay Minerals for Application in Water Treatment Systems (United States)

    Bumanis, G.; Bajare, D.; Dembovska, L.


    Alkali activation technology can be applied for a wide range of alumo-silicates to produce innovative materials with various areas of application. Most researches focuse on the application of alumo-silicate materials in building industry as cement binder replacement to produce mortar and concrete [1]. However, alkali activation technology offers high potential also in biotechnologies [2]. In the processes where certain pH level, especially alkaline environment, must be ensured, alkali activated materials can be applied. One of such fields is water treatment systems where high level pH (up to pH 10.5) ensures efficient removal of water pollutants such as manganese [3]. Previous investigations had shown that alkali activation technology can be applied to calcined clay powder and aluminium scrap recycling waste as a foam forming agent to create porous alkali activated materials. This investigation focuses on the structural investigation of calcined kaolin and illite clay alkali activation processes. Chemical and mineralogical composition of both clays were determined and structural investigation of alkali activated materials was made by using XRD, DTA, FTIR analysis; the microstructure of hardened specimens was observed by SEM. Physical properties of the obtained material were determined. Investigation indicates the essential role of chemical composition of the clay used in the alkali activation process, and potential use of the obtained material in water treatment systems.

  18. Hydration number of alkali metal ions determined by insertion in a conducting polymer

    DEFF Research Database (Denmark)

    Skaarup, Steen


    . The solvation of alkali metal ions has been discussed for many years without a clear consensus. This work presents a systematic study of the hydration numbers of the 5 alkali metal ions, using the electrochemical insertion of the ions in a conducting polymer (polypyrrole containing the large immobile anion DBS...

  19. The Effects of Biochar on Germination and Growth of Wheat in Different Saline-alkali Soil

    Institute of Scientific and Technical Information of China (English)

    Guijun; WANG; Zhenwen; XU


    Saline alkali soil can cause physiological drought on crops,so only some salinity tolerant crops can grow in saline alkali soil.Biochar can increase the utilize efficiency of nutrient and the water retention of the soil,and affect the growth of the plant.In this research,four different proportion of biochar was added in five different levels of saline-alkali soil for pot culture experiment.The pH of the soil increases as the proportion of biochar increase in same saline-alkali level soil,while the EC decrease as the proportion of biochar increase.The germination rate of wheat seeds varies as the different of soil’s saline-alkali level.Notable among these results is the germination of wheat seeds in the serious saline-alkali soil without biochar added is 0,while in 45%biochar added in serious saline-alkali soil,the germination rate get to as high as 48.9%.Also,biochar improve the growth of wheat seedling,while for mild saline alkali soil and normal soil.Biochar had no obvious effect on the growth of wheat seedling.

  20. Alkali chloride induced corrosion of superheaters under biomass firing conditions: Improved insights from laboratory scale studies

    DEFF Research Database (Denmark)

    Okoro, Sunday Chukwudi; Montgomery, Melanie; Jappe Frandsen, Flemming


    to the formation of corrosive deposits (rich in alkali chlorides) on the surfaces of the superheaters. Accordingly, an extensive number of fundamental investigations have been undertaken to understand the basic mechanisms behind the alkali chloride induced high temperature corrosion of superheaters (for example...

  1. Desorption of alkali atoms from 4He nanodroplets. (United States)

    Hernando, Alberto; Barranco, Manuel; Pi, Martí; Loginov, Evgeniy; Langlet, Marina; Drabbels, Marcel


    The dynamics following the photoexcitation of Na and Li atoms located on the surface of helium nanodroplets has been investigated in a joint experimental and theoretical study. Photoelectron spectroscopy has revealed that excitation of the alkali atoms via the (n + 1)s ←ns transition leads to the desorption of these atoms. The mean kinetic energy of the desorbed atoms, as determined by ion imaging, shows a linear dependence on excitation frequency. These experimental findings are analyzed within a three-dimensional, time-dependent density functional approach for the helium droplet combined with a Bohmian dynamics description of the desorbing atom. This hybrid method reproduces well the key experimental observables. The dependence of the observables on the impurity mass is discussed by comparing the results obtained for the (6)Li and (7)Li isotopes. The calculations show that the desorption of the excited alkali atom is accompanied by the creation of highly non-linear density waves in the helium droplet that propagate at supersonic velocities.

  2. Structure and Bonding in Small Neutral Alkali-Halide Clusters

    CERN Document Server

    Aguado, A; López, J M; Alonso, J A


    The structural and bonding properties of small neutral alkali-halide clusters (AX)n, with n less than or equal to 10, A=Li, Na, K, Rb and X=F, Cl, Br, I, are studied using the ab initio Perturbed Ion (aiPI) model and a restricted structural relaxation criterion. A trend of competition between rock-salt and hexagonal ring-like isomers is found and discussed in terms of the relative ionic sizes. The main conclusion is that an approximate value of r_C/r_A=0.5 (where r_C and r_A are the cationic and anionic radii) separates the hexagonal from the rock-salt structures. The classical electrostatic part of the total energy at the equilibrium geometry is enough to explain these trends. The magic numbers in the size range studied are n= 4, 6 and 9, and these are universal since they occur for all alkali-halides and do not depend on the specific ground state geometry. Instead those numbers allow for the formation of compact clusters. Full geometrical relaxations are considered for (LiF)n (n=3-7) and (AX)_3 clusters, an...

  3. Thermal, mechanical and Raman studies on mixed alkali borotungstate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Edukondalu, A. [Department of Physics, Osmania University, Hyderabad 500007 (India); Sathe, Vasant [Consortium for Scientific Research, Khandwa Road, Indore 452017 (India); Rahman, Syed [Department of Physics, Osmania University, Hyderabad 500007 (India); Siva Kumar, K., E-mail: [Department of Physics, Osmania University, Hyderabad 500007 (India)


    Mixed alkali borotungstate glasses with xLi{sub 2}O–(30−x)Na{sub 2}O–10WO{sub 3}–60B{sub 2}O{sub 3} (0 ≤ x ≤ 30) composition were prepared by melt quench technique. The amorphous phase of the prepared glass samples was conformed from their X-ray diffraction and SEM studies. Differential scanning calorimetry and Raman spectroscopic studies were employed to investigate the structure of all the prepared glasses. The elastic moduli and Debye temperature were calculated in terms of Makishima–Mackenzie model. Acting as complementary techniques, Raman measurement revealed that the network structure of the present glasses is mainly based on BO{sub 3} and BO{sub 4} units placed in different structural groups. Raman spectra confirms the presence of tungsten ions mainly as WO{sub 6} groups. In the present work, the mixed alkali effect (MAE) has been investigated in the above glass system through modulated DSC studies.

  4. Periodic DFT approaches to crystalline alkali metal azides

    Institute of Scientific and Technical Information of China (English)


    The energy bands, electronic structures andrelationship between structures and properties of the crys-talline alkali metal azides, LiN3, α-NaN3 and KN3, are investigated at the DFT-B3LYP level. The crystalline bulks arepredicted to be insulator, speculated from their band gaps ofca. 0.23-0.25 a.u. and from their level frontier bands. Theatomic overlaps and electron densities show that the metalsand the azides are combined by ionic bonds. The crystal lat-tice energies, being corrected for the basis set superpositionerrors, are -852.30, -771.45 and - 614.78 kJ @ mol-1 for LiN3,α-NaN3 and KN3 respectively. These values are similar tothose by Gray's approximate method. The frontier crystalorbital mainly consists of the atomic orbital of the terminalnitrogen of azides. The contribution of the metallic orbital tothe LUMO is very small. The electron transition from theHOMO to the LUMO is difficult to occur. Hence all the al-kali metal azides are expected to be insensitive explosives,according to the "principle of easiest electron transition".

  5. High and rapid alkali cation storage in ultramicroporous carbonaceous materials (United States)

    Yun, Young Soo; Lee, Seulbee; Kim, Na Rae; Kang, Minjee; Leal, Cecilia; Park, Kyu-Young; Kang, Kisuk; Jin, Hyoung-Joon


    To achieve better supercapacitor performance, efforts have focused on increasing the specific surface area of electrode materials to obtain higher energy and power density. The control of pores in these materials is one of the most effective ways to increase the surface area. However, when the size of pores decreases to a sub-nanometer regime, it becomes difficult to apply the conventional parallel-plate capacitor model because the charge separation distance (d-value) of the electrical double layer has a similar length scale. In this study, ultramicroporous carbonaceous materials (UCMs) containing sub-nanometer-scale pores are fabricated using a simple in situ carbonization/activation of cellulose-based compounds containing potassium. The results show that alkali cations act as charge carriers in the ultramicropores (<0.7 nm), and these materials can deliver high capacitances of ∼300 F g-1 at 0.5 A g-1 and 130 F g-1, even at a high current rate of 65 A g-1 in an aqueous medium. In addition, the UCM-based symmetric supercapacitors are stable over 10,000 cycles and have a high energy and power densities of 8.4 Wh kg-1 and 15,000 W kg-1, respectively. This study provides a better understanding of the effects of ultramicropores in alkali cation storage.

  6. Injectable liquid alkali alloy based-tumor thermal ablation therapy. (United States)

    Rao, Wei; Liu, Jing


    The alkali metal was recently found to be a very useful agent for inducing minimally invasive tumor hyperthermia therapy. However, the solid-like metal makes it somewhat inconvenient to perform the surgery. Here, to overcome this drawback, the NaK alloy in liquid state at room temperature was proposed as a highly efficient thermal ablative agent for tumor treatment. For illustration purposes, the functionalized liquid NaK alloy at a mass ratio 1:1 was obtained and an amount of 0.35 ml was injected into in vitro pork. The sizes of the damage region and temperature response were measured. It was found that significant temperature increase by a magnitude of > 80 degrees C can easily be obtained. This produced a large coagulation and necrotic area within selected areas for in vitro tests and the necrotic region volume is three times that of the NaK injection quantity. Furthermore, for the in vivo experiment, breast EMT6 tumor in mouse was subjected to treatment by NaK alloy. Tumor was harvested after the experiment to assess its viability. Histological section showed complete necrosis at the target site. These conceptual results demonstrate that using injectable liquid alkali alloy to ablate tumor is rather promising. This study also raised interesting issues waiting for clarification in future technical and animal studies aiming to assess efficacy, side effects and safety of the new therapy.

  7. Dislocation unpinning model of acoustic emission from alkali halide crystals

    Indian Academy of Sciences (India)

    B P Chandra; Anubha S Gour; Vivek K Chandra; Yuvraj Patil


    The present paper reports the dislocation unpinning model of acoustic emission (AE) from alkali halide crystals. Equations are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number of AE pulse emitted. It is found that the AE pulse rate should be maximum for a particular strain of the crystals. The peak value of the AE pulse rate should depend on the volume and strain rate of the crystals, and also on the pinning time of dislocations. Since the pinning time of dislocations decreases with increasing strain rate, the AE pulse rate should be weakly dependent on the strain rate of the crystals. The total number of AE should increase linearly with deformation and then it should attain a saturation value for the large deformation. By measuring the strain dependence of the AE pulse rate at a fixed strain rate, the time constant $_{\\text{s}}$ for surface annihilation of dislocations and the pinning time $_{\\text{p}}$ of the dislocations can be determined. A good agreement is found between the theoretical and experimental results related to the AE from alkali halide crystals.

  8. Surface modification by alkali and heat treatments in titanium alloys. (United States)

    Lee, Baek-Hee; Do Kim, Young; Shin, Ji Hoon; Hwan Lee, Kyu


    Pure titanium and titanium alloys are normally used for orthopedic and dental prostheses. Nevertheless, their chemical, biological, and mechanical properties still can be improved by the development of new preparation technologies. This has been the limiting factor for these metals to show low affinity to living bone. The purpose of this study is to improve the bone-bonding ability between titanium alloys and living bone through a chemically activated process and a thermally activated one. Two kinds of titanium alloys, a newly designed Ti-In-Nb-Ta alloy and a commercially available Ti-6Al-4V ELI alloy, were used in this study. In this study, surface modification of the titanium alloys by alkali and heat treatments (AHT), alkali treated in 5.0M NaOH solution, and heat treated in vacuum furnace at 600 degrees C, is reported. After AHT, the effects of the AHT on the bone integration property were evaluated in vitro. Surface morphologies of AHT were observed by optical microscopy (OM) and scanning electron microscopy (SEM). Chemical compositional surface changes were investigated by X-ray diffractometry (XRD), energy dispersive spectroscopy (EDS), and auger electron spectroscopy (AES). Titanium alloys with surface modification by AHT showed improved bioactive behavior, and the Ti-In-Nb-Ta alloy had better bioactivity than the Ti-6Al-4V ELI alloy in vitro.

  9. Pretreatment of banana agricultural waste for bio-ethanol production: individual and interactive effects of acid and alkali pretreatments with autoclaving, microwave heating and ultrasonication. (United States)

    Gabhane, Jagdish; William, S P M Prince; Gadhe, Abhijit; Rath, Ritika; Vaidya, Atul Narayan; Wate, Satish


    Banana agricultural waste is one of the potential lignocellulosic substrates which are mostly un-utilized but sufficiently available in many parts of the world. In the present study, suitability of banana waste for biofuel production with respect to pretreatment and reducing sugar yield was assessed. The effectiveness of both acid and alkali pretreatments along with autoclaving, microwave heating and ultrasonication on different morphological parts of banana (BMPs) was studied. The data were statistically analyzed using ANOVA and numerical point prediction tool of MINITAB RELEASE 14. Accordingly, the optimum cumulative conditions for maximum recovery of reducing sugar through acid pretreatment are: leaf (LF) as the substrate with 25 min of reaction time and 180°C of reaction temperature using microwave. Whereas, the optimum conditions for alkaline pretreatments are: pith (PH) as the substrate with 51 min of reaction time and 50°C of reaction temperature using ultrasonication (US).

  10. Application of high throughput pretreatment and co-hydrolysis system to thermochemical pretreatment. Part 2: Dilute alkali. (United States)

    Li, Hongjia; Gao, Xiadi; Demartini, Jaclyn D; Kumar, Rajeev; Wyman, Charles E


    High throughput pretreatment (HTPH) and enzymatic hydrolysis systems are now vital for screening large numbers of biomass samples to investigate biomass recalcitrance over various pretreatment and enzymatic hydrolysis conditions. Although hydrothermal pretreatment is currently being employed in most high throughput applications, thermochemical pretreatment at low and high pH conditions can offer additional insights to better understand the roles of hemicellulose and lignin, respectively, in defining biomass recalcitrance. Thus, after successfully applying the HTPH approach to dilute acid pretreatment [Gao et al. (2012) Biotechnol. Bioeng. 110(3): 754-762], extension to dilute alkali pretreatment was also achieved using a similar single-step neutralization and buffering concept. In the latter approach, poplar and switchgrass were pretreated with 1 wt% sodium hydroxide at 120°C for different reaction times. Following pretreatment, an H₂Cit⁻/HCit²⁻ buffer with a pH of 4.5 was used to condition the pretreatment slurry to a pH range of 4.69-4.89, followed by enzymatic hydrolysis for 72 h of the entire mixture. Sugar yields showed different trends for poplar and switchgrass with increases in pretreatment times, demonstrating the method provided a clearly discernible screening tool at alkali conditions. This method was then applied to selected Populus tremuloides samples to follow ring-by-ring sugar release patterns. Observed variations were compared to results from hydrothermal pretreatments, providing new insights in understanding the influence of biomass structural differences on recalcitrance.

  11. Effect of curing time on microstructure and mechanical strength development of alkali activated binders based on vitreous calcium aluminosilicate (VCAS)

    Indian Academy of Sciences (India)

    M M Tashima; L Soriano; M V Borrachero; J Monzó; J Payá


    The aim of this paper is to study the influence of curing time on the microstructure and mechanical strength development of alkali activated binders based on vitreous calcium aluminosilicate (VCAS). Mechanical strength of alkali activated mortars cured at 65 °C was assessed for different curing times (4–168 h) using 10 molal NaOH solution as alkaline activator. Compressive strength values around 77MPa after three days of curing at 65 °C were obtained. 1.68MPa/h compressive strength gain rate was observed in the first 12 h, decreasing to 0.95MPa/h for the period of 12–72 h. The progress of geopolymeric reaction was monitored by means of TGA and, electrical conductivity and pH measurements in an aqueous suspension. Significant decrease in pH and electrical conductivity were observed in the 4–72 h period, demonstrating the geopolymerization process. Furthermore, SEM images showed an important amount of (N, C)ASH gel and low porosity of the developed matrix.

  12. Investigations on the role of alkali to obtain modulated defect concentrations for Cu{sub 2}O thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, Anirban, E-mail: [Research and Development, Tata Steel Limited, Jamshedpur, 831001 (India); Bijalwan, Pavan Kumar [Research and Development, Tata Steel Limited, Jamshedpur, 831001 (India); Sahu, Ranjan Kumar [MST Division, CSIR-National Metallurgical Laboratory, Jamshedpur, 831007 (India)


    An economic successive ionic layer adsorption and reaction (SILAR) method has been investigated for depositing thin Cu{sub 2}O layers on steel. The mole ratios of the Cu{sup +} ions to OH{sup −} ions in the alkali bath were varied and the changes in the properties were characterised by X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) spectroscopy, scanning electron microscopy (SEM) and Ultraviolet–visible spectroscopy techniques. The increase in the binding energy values of the Cu 2p peaks in XPS established that an optimum copper vacancy concentration can be obtained for a Cu{sup +}/OH{sup −} mole ratio between 1:10 and 1:15; SEM studies confirmed a dense, uniform microstructure for Cu{sub 2}O thin films coated with these compositions. The strongest absolute peak intensity counts in PL for the peak at 580 nm along with low energy peaks (1.2–1.4 eV) due to Cu vacancy was found to be most prominent for thin film made with Cu{sup +}/OH{sup −} mole ratio 1:15. The role of alkali concentration has been explained in relation to create a stable Cu{sub 2−δ}O structure with optimum copper vacancy. This is an easy way to modulate surface reactivity of the Cu{sub 2}O thin layers and the concept can be utilised for large area device integrations for various electrical and mechanical applications.

  13. Investigations on the role of alkali to obtain modulated defect concentrations for Cu2O thin films (United States)

    Chowdhury, Anirban; Bijalwan, Pavan Kumar; Sahu, Ranjan Kumar


    An economic successive ionic layer adsorption and reaction (SILAR) method has been investigated for depositing thin Cu2O layers on steel. The mole ratios of the Cu+ ions to OH- ions in the alkali bath were varied and the changes in the properties were characterised by X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) spectroscopy, scanning electron microscopy (SEM) and Ultraviolet-visible spectroscopy techniques. The increase in the binding energy values of the Cu 2p peaks in XPS established that an optimum copper vacancy concentration can be obtained for a Cu+/OH- mole ratio between 1:10 and 1:15; SEM studies confirmed a dense, uniform microstructure for Cu2O thin films coated with these compositions. The strongest absolute peak intensity counts in PL for the peak at 580 nm along with low energy peaks (1.2-1.4 eV) due to Cu vacancy was found to be most prominent for thin film made with Cu+/OH- mole ratio 1:15. The role of alkali concentration has been explained in relation to create a stable Cu2-δO structure with optimum copper vacancy. This is an easy way to modulate surface reactivity of the Cu2O thin layers and the concept can be utilised for large area device integrations for various electrical and mechanical applications.

  14. Influence of alkali metal cations on the thermal, mechanical and morphological properties of rectorite/chitosan bio-nanocomposite films. (United States)

    Babul Reddy, A; Jayaramudu, J; Siva Mohan Reddy, G; Manjula, B; Sadiku, E R


    The main theme of this work is to study the influence of ion-exchangeable alkali metal cations, such as: Li(+), Na(+), K(+), and Cs(+) on the thermal, mechanical and morphological properties. In this regard, a set of rectorite/chitosan (REC-CS) bio-nanocomposite films (BNCFs) was prepared by facile reaction of chitosan with ion-exchanged REC clay. The microstructure and morphology of BNCFs were investigated with XRD, TEM, SEM and AFM. Thermal and tensile properties of BNCFs were also investigated. As revealed from TEM and XRD results, the BNCFs featured a mixed morphology. Some intercalated clay sheets, together with nano-sized clay tactoids were obtained in LiREC/CS, NaREC/CS and KREC/CS of the BNCFs. From fractured surface study, via SEM, it was observed that the dispersion of chitosan polymer attaches to (and covers) the clay platelets. FTIR confirmed strong hydrogen bonds between clay and chitosan polymer. In addition, the thermal stabilities significantly varied when alkali metal cations varied from Li(+) to Cs(+). The BNCFs featured high tensile strengths (up to 84 MPa) and tensile moduli (up to 45 GPa). After evaluating these properties of BNCFs, we came to conclusion that these bio-nano composites can be used for packaging applications.

  15. Expansive reactions in concrete observed by soft x-ray transmission microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kurtis, K.E.; Monteiro, P.J.M. [Univ. of California, Berkeley, CA (United States). Dept. of Civil and Environmental Engineering; Brown, J.T.; Meyer-Ilse, W. [Lawrence Berkeley National Lab., CA (United States). Center for X-ray Optics


    Alkali-silica reaction, sulfate attack, and reinforcing steel corrosion can compromise the long-term durability of concrete structures. The anticipated economic impact of an extensive infrastructure repair scheme has produced a renewed interest in the development of advanced characterization methods to assess the degree of deterioration in the concrete experiencing these deleterious reactions. The products of the alkali silica reaction, sulfate attack, and corrosion as well as the cement hydration products are extremely sensitive to humidity. Consequently, characterization techniques that require high vacuum or drying, as many existing techniques do, are not particularly appropriate for the study of these reactions in concrete as artifacts are introduced. A high resolution instrument which allows the examination of these reactions and their products without drying and at normal pressures will promote understanding of the reactions and provide further insight into means of mitigating the damage they cause. Only soft x-ray transmission microscopy provides the required high spatial resolution to observe the reaction process in situ. The alkali-silica reaction can be observed over time, in a wet condition, and at normal pressures, features unavailable with most other high resolution techniques. Soft x-rays also reveal information on the internal structure of the sample. This paper reviews published and ongoing applications of soft x-ray transmission microscopy for the study of expansive reactions that occur in concrete.

  16. Aggregation of Diesel Contaminated Soil for Bioremediation

    Institute of Scientific and Technical Information of China (English)

    Yu Ying; Shi Xiu-hong; Li Song; Xu Jing-gang


    Diesel contaminated soil (DCS) contained a large amount of the hydrocarbons and salt which was dominated by soluble sodium chloride. Aggregation process which made the desired aggregate size distribution could speed up the degradation rate of the hydrocarbons since the aggregated DCS had better physical characteristics than the non-aggregated material. Artificial aggregation increased pores >30 µm by approximately 5% and reduced pores <1 µm by 5%, but did not change the percentage of the pores between 1 and 30 µm. The saturated hydraulic conductivity of non-aggregated DCS was 5×10-6 m• s-l, but it increased to 1×10-5 m• s-l after aggregation. The compression index of the non-aggregated DCS was 0.0186; however, the artificial aggregates with and without lime were 0.031 and 0.028, respectively. DCS could be piled 0.2 m deep without artificial aggregation; however, it could be applied 0.28 m deep when artificial aggregates were formed without limiting O2 transport.

  17. Bouncing Behavior of Microscopic Dust Aggregates

    CERN Document Server

    Seizinger, Alexander


    Context: Bouncing collisions of dust aggregates within the protoplanetary may have a significant impact on the growth process of planetesimals. Yet, the conditions that result in bouncing are not very well understood. Existing simulations studying the bouncing behavior used aggregates with an artificial, very regular internal structure. Aims: Here, we study the bouncing behavior of sub-mm dust aggregates that are constructed applying different sample preparation methods. We analyze how the internal structure of the aggregate alters the collisional outcome and determine the influence of aggregate size, porosity, collision velocity, and impact parameter. Methods: We use molecular dynamics simulations where the individual aggregates are treated as spheres that are made up of several hundred thousand individual monomers. The simulations are run on GPUs. Results: Statistical bulk properties and thus bouncing behavior of sub-mm dust aggregates depend heavily on the preparation method. In particular, there is no uni...

  18. Patterning processes in aggregates of Hydra cells visualized with the monoclonal antibody, TS19. (United States)

    Sato, M; Bode, H R; Sawada, Y


    The monoclonal antibody, TS19, (Heimfeld et al., 1985), labels the apical surface of ectodermal epithelial cells of tentacles and lower peduncles in Hydra. To investigate the patterning process in a tissue whose original pattern was completely destroyed, the TS19 staining pattern was examined in developing aggregates of Hydra cells. Two types of aggregates were prepared. G-aggregates were made from tissue of the gastric portion of animals and RG-aggregates from gastric tissue allowed to regenerate for 24 hr before making aggregates. G-aggregates were initially TS19-negative, and later dim and uniformly TS19-positive. Thereafter, TS19 staining broke up into brightly stained and unstained regions. The brightly staining regions developed into head or foot structures. The TS19 pattern in RG-aggregates developed differently. Since the initial aggregates contained cells of regenerating tips, they started with TS19-positive cells as well as TS19-negative cells. The numbers of brightly staining TS19-positive cells increased with time. Some patches of these cells developed into head or foot structures, while others did not. These results and a simulation using a reaction-diffusion model suggest that the changes in activation levels affected the temporal changes in the pattern of TS19 staining, and that the de novo pattern formation in hydra can be explained in terms of a process involving activation and inhibition properties.

  19. Study on the Structure and Properties of Polynosic Fiber Treated by Alkali

    Institute of Scientific and Technical Information of China (English)

    WEI Meng-yuan; XUE Wen-liang; CHENG Long-di


    The regenerated cellulose fibers, made from wood pulp, have excellent physical properties like cotton fiber. Especially polynosic fibers can be mercerized by alkali, but conventional Viscose fiber can not be treated or mercerized by alkali. The paper studies on behavior of polynosic fibers treated by alkali, including physical properties, such as weight loss, tensile strength and elongation, and fiber structures properties. In this paper, on the basis of study on polynosic fibers treated by alkali, the conclusions were drawn as following. Firstly, polynosic fiber is good at alkali resistance. Secondly, the changes of fiber structure and physical properties begin declining at 5 wt% NaOH concentration and reverse changes take place at 10 wt%.

  20. Influence of TiO2 on the Alkali Resistance and Structure of Invert Glass

    Institute of Scientific and Technical Information of China (English)

    ZHAO Qing-lin; WU Zheng-ming; BU Heng-zhi


    Through measuring the alkali resistance of the invert glass and the quantity of SiO2 and TiO2 migrating fron the glass into the solution,the influence of TiO2 on the alkali resistance of the glass is discussed and its structure is also analyzed by infrared spectroscopy.It is concluded that TiO2 has double functions for the alkali resistance of the invert glass.On the one hand ,both TiO2 polarizing the secondary ions in glass and TiO2 isomorphism replacement of SiO2 make the alkali resistance of the glass decrease.On the ther hand,TiO2 patching network and anti-erosion covering help to increase the alkali resistance.

  1. Communication: Dimensionality of the ionic conduction pathways in glass and the mixed-alkali effect. (United States)

    Novy, Melissa; Avila-Paredes, Hugo; Kim, Sangtae; Sen, Sabyasachi


    A revised empirical relationship between the power law exponent of ac conductivity dispersion and the dimensionality of the ionic conduction pathway is established on the basis of electrical impedance spectroscopic (EIS) measurements on crystalline ionic conductors. These results imply that the "universal" ac conductivity dispersion observed in glassy solids is associated with ionic transport along fractal pathways. EIS measurements on single-alkali glasses indicate that the dimensionality of this pathway D is ∼2.5, while in mixed-alkali glasses, D is lower and goes through a minimum value of ∼2.2 when the concentrations of the two alkalis become equal. D and σ display similar variation with alkali composition, thus suggesting a topological origin of the mixed-alkali effect.

  2. Illustration of alkali corrosion mechanisms in high temperature thermal insulation materials

    Energy Technology Data Exchange (ETDEWEB)

    Aneziris, C.G.; Fischer, U.; Schlegel, E. [Technical Univ. of Freiberg (Germany)


    Alkali attack is a chronic problem in the most popular high temperature applications such as blast furnaces, gasifiers, glass furnaces and cement kilns. Especially in the last years the problem of alkali corrosion is dramatically increased due to the waste burning and the combustion of the so called secondary fuels in kilns at high temperature processes. The German cement industry uses up to 100 percent of secondary fuels - a little or no coal, oil or gas- but mainly burnable waste. According to the literature destruction of the refractory can occur by the formation of low-melting low-viscosity liquids, or, more usually by the formation of dry expansive alkali-aluminosilicate compounds that result to chemical spalling. This work explores due to laboratory experiments supported partially by post mortem industrial trials the chemical interactions between alkali species and established refractory materials and illustrates four main alkali corrosion mechanisms. (orig.)

  3. First-principles study of ternary graphite compounds cointercalated with alkali atoms (Li, Na, and K) and alkylamines towards alkali ion battery applications (United States)

    Ri, Gum-Chol; Yu, Chol-Jun; Kim, Jin-Song; Hong, Song-Nam; Jong, Un-Gi; Ri, Mun-Hyok


    First-principles calculations were carried out to investigate the structural, energetic, and electronic properties of ternary graphite compounds cointercalated with alkali atoms (AM = Li, Na, and K) and normal alkylamine molecules (nCx; x = 1, 2, 3, 4), denoted as AM-nCx-GICs. From the optimization of the orthorhombic unit cells for the crystalline compounds, it was found that, with the increase in the atomic number of alkali atoms, the layer separations decrease in contrast to AM-GICs, while the bond lengths between alkali atoms and graphene layer, and nitrogen atom of alkylamine increase. The calculated formation energies and interlayer binding energies of AM-nC3-GICs indicate that the compounds is increasingly stabilized from Li to K, and the energy barriers for migration of alkali atoms suggest that alkali cation with larger ionic radius diffuses more smoothly in graphite, being similar to AM-GICs. Through the analysis of electronic properties, it was established that more extent of electronic charge is transferred from more electropositive alkali atom to the carbon ring of graphene layer, and the hybridization of valence electron orbitals between alkylamine molecules and graphene layer is occurred.

  4. Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model

    Institute of Scientific and Technical Information of China (English)


    In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows: The calculation of the model parameters, λ11, λ12, λ21 and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems.In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the.calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.

  5. The Impact of Post-Pretreatment Conditioning on Enzyme Accessibility and Water Interactions in Alkali Pretreated Rice Straw (United States)

    Karuna, Nardrapee

    Rice straw, a high-abundance lignocellulosic residue from rice production has tremendous potential as a feedstock for biofuel production in California. In this study, the impact of post-alkali pretreatment conditioning schemes on enzyme saccharification efficiency was examined, particularly focusing on understanding resulting biomass compositional impacts on water interactions with the biomass and enzyme accessibility to the cellulose fraction. Rice straw was pretreated with sodium hydroxide and subsequently washed by two different conditions: 1) by extensive washing with distilled water to reduce the pH to the optimum for cellulases which is pH 5--6, and 2) immediate pH adjustment to pH 5--6 with hydrochloric acid before extensive washing with distilled water. The two post-pretreatment conditions gave significant differences in ash, acid-insoluble lignin, glucan and xylan compositions. Alkali pretreatment improved cellulase digestibility of rice straw, and water washing improved enzymatic digestibility more than neutralization. Hydrolysis reactions with a purified Trichoderma reesei Cel7A, a reducing-end specific cellulase, demonstrated that the differences in saccharification are likely due to differences in the accessibility of the cellulose fraction to the cellulolytic enzymes. Further analyses were conducted to study the mobility of the water associated with the rice straw samples by measuring T2 relaxation times of the water protons by 1H-Nuclear Magnetic Resonance (NMR) relaxometry. Results showed significant changes in water association with the rice straw due to the pretreatment and due to the two different post-pretreatment conditions. Pretreatment increased the amount of water at the surface of the rice straw samples as indicated by increased amplitude of the shortest T2 time peaks in the relaxation spectra. Moreover, the amount of water in the first T2 pool in the water washed sample was significantly greater than in the neutralized sample. These

  6. Behaviour of gaseous alkali compounds in coal gasification; Kaasumaisten alkaliyhdisteiden kaeyttaeytyminen kivihiilien kaasutuksessa

    Energy Technology Data Exchange (ETDEWEB)

    Nykaenen, J. [Imatran Voima Oy, Vantaa (Finland)


    In this project the behaviour of alkali compounds emitting from CO{sub 2}/O{sub 2}- and airblown gasification are studied. This research project is closely connected to an EU-project coordinated by the Delft University of Technology (DUT). In that project alkali emissions from a 1.6 MW pilot plant will be measured. The results from those measurements will be compared with the calculations performed in this LIEKKI 2 project. The equilibrium calculations show that the major gaseous alkali compounds emitting from combustion and gasification are chlorides and hydroxides. This applies both to air- and CO{sub 2}/O{sub 2}-blown processes. In all the cases studied the concentration of gaseous alkali compounds is determined mainly by the amount of chlorides. The key parameters, with respect to alkali behaviour, are the temperature of the process and chlorine content of the coal. By cooling the gases down to 600 deg C prior to a ceramic filter the alkali concentration can be kept about at 100 ppbv. In combustion, the addition of calcium carbonate increases the amount of gaseous alkali compounds by decreasing the amount of alkali sulphates. In the case of gasification the importance of limestone is negligible. The difference between air- and CO{sub 2}/O{sub 2}-blown processes, in terms of gaseous alkali emissions, is small. This is because CO{sub 2} concentration of the gas does not have a strong impact on alkali chlorides. Furthermore, the effect of CO{sub 2}/O{sub 2}-ratio of the recirculation process is negligible. (orig.)


    Directory of Open Access Journals (Sweden)

    Dominique Jeulin


    Full Text Available The percolation threshold ρc of Boolean models of cylinders with their axis parallel to a given direction is studied by means of simulations. An efficient method of construction of percolating connected components was developed, and is applied to one or two scales Boolean model, in order to simulate the presence of aggregates. The invariance of the percolation threshold with respect to affine transformations in the common direction of the axis of cylinders is approximately satisfied on simulations. The prediction of the model (ρc close to 0.16 is consistent with experimental measurements on plasma spray coatings, which motivated this study.

  8. The action and interaction of calcium and alkali chlorides on eggs of Limnaea stagnalis and their chemical interpretation

    NARCIS (Netherlands)

    Geilenkirchen, W.L.M.


    1. 1. The action and interaction of CaCl2 and alkali chlorides on eggs of Limnaea stagnalis have been studied. 2. 2. CaCl2 antagonizes death caused by alkali chlorides. The number of normally developing embryos increases in all cases. 3. 3. Alkali chlorides antagonize death caused by CaCl2. With NaC

  9. Kinetic Behavior of Aggregation-Exchange Growth Process with Catalyzed-Birth

    Institute of Scientific and Technical Information of China (English)

    HAN An-Jia; CHEN Yu; LIN Zhen-Quan; KE Jian-Hong


    We propose an aggregation model of a two-species system to mimic the growth of cities' population and assets,in which irreversible coagulation reactions and exchange reactions occur between any two aggregates of the same species,and the monomer-birth reactions of one species occur by the catalysis of the other species.In the case with population-catalyzed birth of assets,the rate kernel of an asset aggregate Bκ of size k grows to become an aggregate Bκ+ 1through a monomer-birth catalyzed by a population aggregate Aj of size j is J(k,j) = Jkjλ.And in mutually catalyzed birth model,the birth rate kernels of population and assets are H(k,j) = Hkjη and J(k,j) = Jkjλ,respectively.The kinetics of the system is investigated based on the mean-field theory.In the model of population-catalyzed birth of assets,the long-time asymptotic behavior of the assets aggregate size distribution obeys the conventional or modified scaling form.In mutually catalyzed birth system,the asymptotic behaviors of population and assets obey the conventional scaling form in the case ofη =λ= 0,and they obey the modified scalingform in the case of η = 0,λ= 1.In the case of η = λ = 1,the total mass of population aggregates and that of asset aggregates both grow much faster than those in population-catalyzed birth of assets model,and they approaches to infinite values in finite time.

  10. High-temperature performance of mortars and concretes based on alkali-activated slag/metakaolin blends

    Directory of Open Access Journals (Sweden)

    Bernal, S. A.


    Full Text Available This paper assesses the performance of mortars and concretes based on alkali activated granulated blastfurnace slag (GBFS/metakaolin (MK blends when exposed to high temperatures. High stability of mortars with contents of MK up to 60 wt.% when exposed to 600 °C is identified, with residual strengths of 20 MPa following exposure to this temperature. On the other hand, exposure to higher temperatures leads to cracking of the concretes, as a consequence of the high shrinkage of the binder matrix and the restraining effects of the aggregate, especially in those specimens with binders containing high MK content. A significant difference is identified between the water absorption properties of mortars and concretes, and this is able to be correlated with divergences in their performance after exposure to high temperatures. This indicates that the performance at high temperatures of alkali-activated mortars is not completely transferable to concrete, because the systems differ in permeability. The differences in the thermal expansion coefficients between the binder matrix and the coarse aggregates contribute to the macrocracking of the material, and the consequent reduction of mechanical properties.

    Este artículo evalúa el desempeño de morteros y hormigones basados en mezclas de escoria siderúrgica (GBFS/metacaolín (MK, activadas alcalinamente expuestos a temperaturas altas. Se identifica una elevada estabilidad en morteros con contenidos de MK de hasta un 60% cuando se exponen a temperaturas de 600 ºC, con una resistencia residual de 20 MPa posterior a la exposición a esta temperatura. Por otra parte, la exposición a temperaturas más elevadas conduce al agrietamiento de los hormigones como consecuencia de una elevada contracción de la matriz cementante y las restricciones por efecto de los áridos, especialmente en aquellos especímenes con cementantes que contienen altos contenidos de MK. Se identifican diferencias significativas en

  11. Pyridine Aggregation in Helium Nanodroplets (United States)

    Nieto, Pablo; Poerschke, Torsten; Habig, Daniel; Schwaab, Gerhard; Havenith, Martina


    Pyridine crystals show the unusual property of isotopic polymorphism. Experimentally it has been observed that deuterated pyridine crystals exist in two phases while non-deuterated pyridine does not show a phase transition. Therefore, although isotopic substitution is the smallest possible modification of a molecule it greatly affects the stability of pyridine crystals. A possible experimental approach in order to understand this striking effect might be the study of pyridine aggregation for small clusters. By embedding the clusters in helium nanodroplets the aggregates can be stabilized and studied by means of Infrared Depletion Spectroscopy. Pyridine oligomers were investigated in the C-H asymmetric vibration region (2980-3100 cm-1) using this experimental technique. The number of molecules for the clusters responsibles for each band were determined by means of pick-up curves as well as mass sensitive depletion spectra. Furthermore, the intensity dependence of the different bands on applying a dc electric field was studied. The assignment of the different structures for pyridine clusters on the basis of these measurements were also carried out. S. Crawford et al., Angew. Chem. Int. Ed., 48, 755 (2009).

  12. Estimating Aggregate Demand in Egypt

    Directory of Open Access Journals (Sweden)

    Noha EMARA


    Full Text Available Abstract. This econometric study seeks to determine the most important factors of aggregate demand in Egypt so as to provide insight into how this developing nation can grow economically in the coming years. The Ordinary Least Squares estimation method was used in order to estimate nominal GDP for the time period 1975 to 2009. Based on the results the real interest rate, the inflation rate, the growth rate of government expenditure, and the growth rate of the money supply are the most statistically and economically significant factors of the growth rate of nominal GDP for the coming year. A one percent change in the growth rate of the previous year government expenditure is predicted to cause the growth rate of the current year nominal GDP to increase by 54%.The role of government expenditures on public sector wage expansion is discussed in this study as to shed light on this factor’s significant influence on income inequality post-1975 in Egypt, which will continue to impact nominal GDP and social conditions for the developing nation in the coming years.Keywords. GDP, Aggregate Demand, Egypt.JEL. E25, O40, Q11.

  13. Effects of osmolytes on protein folding and aggregation in cells. (United States)

    Ignatova, Zoya; Gierasch, Lila M


    Nature has developed many strategies to ensure that the complex and challenging protein folding reaction occurs in vivo with adequate efficiency and fidelity for the success of the organism. Among the strategies widely employed in a huge range of species and cell types is the elaboration of small organic molecules called osmolytes that offset the potentially damaging effects of osmotic stress. While considerable knowledge has been gained in vitro regarding the influence of osmolytes on protein structure and folding, it is of great interest to probe the effects of osmolytes in cells. We have developed an in-cell fluorescent-labeling method that enables the study of protein stability and also protein aggregation in vivo. We utilize a genetically encoded tag called a tetra-Cys motif that binds specifically to a bis-arsenical fluorescein-based dye "FlAsH"; we inserted the tetra-Cys motif into a protein of interest in such a way that the FlAsH signal reported on the state of folding or aggregation of the protein. Then, we designed protocols to assess how various osmolytes influence the stability and propensity to aggregate of our protein of interest. These are described here. Not only are there potential biotechnological applications of osmolytes in the quest to produce greater quantities of well-folded proteins, but also osmolytes may serve as tools and points of departure for therapeutic intervention in protein folding and aggregation diseases. Having in vivo methods to analyze how osmolytes affect folding and aggregation enhances our ability to further these goals greatly.

  14. Aggregation of surface mine soil by interaction between VAM fungi and lignin degradation products of lespedeza

    Energy Technology Data Exchange (ETDEWEB)

    Rothwell, F.M. (USDA Forest Service, Berea, KY (USA). Northeastern Forest Experiment Station, Forestry Sciences Laboratory)


    The external mycelium of a vesicular-arbuscular mycorrhizal (VAM) fungus was effective in aggregating a sandy loam minesoil. The polysaccharide nature of the soil binding agent on hyphal surfaces and on the surfaces of sand particles in contact with the hyphae within the aggregate was demonstrated with the periodic acid-Schiff reagent staining reaction. A possible stabilizing mechanism for macroaggregates was proposed that involves a coupling reaction between glucosamines in the hyphal walls of the fungus with phenolic compounds released during lignin degradation of sericea lespedeza root tissue. 28 refs.

  15. Influence of Alkali Treatment on the Surface Area of Aluminium Dross

    Directory of Open Access Journals (Sweden)

    N. S. Ahmad Zauzi


    Full Text Available Aluminium dross is an industrial waste from aluminium refining industry and classified as toxic substances. However, the disposal of dross as a waste is a burden to aluminium manufacturer industries due to its negative effects to the ecosystem, surface, and ground water. Therefore the purpose of this study is to evaluate the influence of sodium hydroxide (NaOH on the surface area and pore size of aluminium dross. There were 3 stages in the treatment activities, which were leaching, precipitation, and calcination process. The optimum result from this study was the surface area of aluminium dross increases from 10.1 m2/g up to 80.0 m2/g at 40°C, 1% NaOH, and 15-minute reaction time. Thus, aluminium dross has a potential to be converted into other useful material such as catalyst and absorbent. The benefit of this research is that the hazardous industrial waste can be turned into wealth to be used in other applications such as in catalytic activities and absorber in waste water treatment. Further investigation on the physicochemical of aluminium dross with different acid or alkali should be conducted to get deeper understanding on the aluminium dross as a catalyst-type material.

  16. An alkali-free barium borosilicate viscous sealing glass for solid oxide fuel cells (United States)

    Hsu, Jen-Hsien; Kim, Cheol-Woon; Brow, Richard K.; Szabo, Joe; Crouch, Ray; Baird, Rob


    An alkali-free, alkaline earth borosilicate glass (designated G102) has been developed as a viscous sealant for use with solid oxide fuel cells (SOFCs). The glass possesses the requisite viscosity, electrical resistivity, and thermal and chemical stability under SOFC operating conditions to act as a reliable sealant. Sandwich seals between aluminized stainless steel and a YSZ/NiO-YSZ bilayer survived 148 thermal cycles (800 °C to room temperature) in both oxidizing and reducing atmospheres at a differential pressure of ∼3.4 kPa (0.5 psi) without failure. For sandwich seals that were held at 800 °C for up to 2280 h in air, G102 resisted crystallization, there were limited interactions at the G102/YSZ interface, but BaAl2Si2O8 crystals formed at the glass/metal interface because of the reaction between the glass and the aluminized steel. Sandwich seals that were intentionally cracked by thermal shock resealed to became hermetic upon reheating to temperatures as low as 744 °C.

  17. Universal ultracold collision rates for polar molecules of two alkali-metal atoms. (United States)

    Julienne, Paul S; Hanna, Thomas M; Idziaszek, Zbigniew


    Universal collision rate constants are calculated for ultracold collisions of two like bosonic or fermionic heteronuclear alkali-metal dimers involving the species Li, Na, K, Rb, or Cs. Universal collisions are those for which the short range probability of a reactive or quenching collision is unity such that a collision removes a pair of molecules from the sample. In this case, the collision rates are determined by universal quantum dynamics at very long range compared to the chemical bond length. We calculate the universal rate constants for reaction of the reactive dimers in their ground vibrational state v = 0 and for vibrational quenching of non-reactive dimers with v ≥ 1. Using the known dipole moments and estimated van der Waals coefficients of each species, we calculate electric field dependent loss rate constants for collisions of molecules tightly confined to quasi-two-dimensional geometry by a one-dimensional optical lattice. A simple scaling relation of the quasi-two-dimensional loss rate constants with dipole strength, trap frequency and collision energy is given for like bosons or like fermions. It should be possible to stabilize ultracold dimers of any of these species against destructive collisions by confining them in a lattice and orienting them with an electric field of less than 20 kV cm(-1).

  18. Silicon halide-alkali metal flames as a source of solar grade silicon (United States)

    Olson, D. B.; Miller, W. J.; Gould, R. K.


    The feasibility of using continuous high-temperature reactions of alkali metals and silicon halides to produce silicon in large quantities and of suitable purity for use in the production of photovoltaic solar cells was demonstrated. Low pressure experiments were performed demonstrating the production of free silicon and providing experience with the construction of reactant vapor generators. Further experiments at higher reagent flow rates were performed in a low temperature flow tube configuration with co-axial injection of reagents and relatively pure silicon was produced. A high temperature graphite flow tube was built and continuous separation of Si from NaCl was demonstrated. A larger scaled well stirred reactor was built. Experiments were performed to investigate the compatability of graphite based reactor materials of construction with sodium. At 1100 to 1200 K none of these materials were found to be suitable. At 1700 K the graphites performed well with little damage except to coatings of pyrolytic graphite and silicon carbide which were damaged.

  19. Reaction Graph

    Institute of Scientific and Technical Information of China (English)



    The paper proposes reaction graphs as graphical representations of computational objects.A reaction graph is a directed graph with all its arrows and some of its nodes labeled.Computations are modled by graph rewriting of a simple nature.The basic rewriting rules embody the essence of both the communications among processes and cut-eliminations in proofs.Calculi of graphs are ideentified to give a formal and algebraic account of reaction graphs in the spirit of process algebra.With the help of the calculi,it is demonstrated that reaction graphs capture many interesting aspects of computations.

  20. Byproduct aggregate. Copper slag aggregate, ferronickel slag aggregate; Fukusan kotsuzai. Do suragu kotsuzai, fuero nikkeru suragu kotsuzai

    Energy Technology Data Exchange (ETDEWEB)

    Kajiwara, Toshitaka


    Copper slag aggregate and ferronickel slag aggregate has not only usual substitute of sand or crushed sand but many features unlike sand or unlike crushed sand. It has many features unlike sand or crushed sand. It seems that especially, behavior of the particulates minute is features of deserving in addition, the examination in future. Of course, one feature also consists on the merit on the demerit by the use. And, copper slag aggregate, ferronickel slag aggregate have also limited the production place at the output of about 2 million annual production tons. These features are utilized, and in addition, wants to teach and want to receive the wider usage. (NEDO)

  1. Natural aggregates of the conterminous United States (United States)

    Langer, William H.


    Crushed stone and sand and gravel are the two main sources of natural aggregates. These materials are commonly used construction materials and frequently can be interchanged with one another. They are widely used throughout the United States, with every State except two producing crushed stone. Together they amount to about half the mining volume in the United States. Approximately 96 percent of sand and gravel and 77 percent of the crushed stone produced in the United States are used in the construction industry. Natural aggregates are widely distributed throughout the United States in a variety of geologic environments. Sand and gravel deposits commonly are the results of the weathering of bedrock and subsequent transportation and deposition of the material by water or ice (glaciers). As such, they commonly occur as river or stream deposits or in glaciated areas as glaciofluvial and other deposits. Crushed stone aggregates are derived from a wide variety of parent bedrock materials. Limestone and other carbonates account for approximately three quarters of the rocks used for crushed stone, with granite and other igneous rocks making up the bulk of the remainder. Limestone deposits are widespread throughout the Central and Eastern United States and are scattered in the West. Granites are widely distributed in the Eastern and Western United States, with few exposures in the Midwest. Igneous rocks (excluding granites) are largely concentrated in the Western United States and in a few isolated localities in the East. Even though natural aggregates are widely distributed throughout the United States, they are not universally available for consumptive use. Some areas are devoid of sand and gravel, and potential sources of crushed stone may be covered with sufficient unconsolidated material to make surface mining impractical. In some areas many aggregates do not meet the physical property requirements for certain uses, or they may contain mineral constituents that react

  2. Phase-transition and aggregation characteristics of a thermoresponsive dextran derivative in aqueous solutions. (United States)

    Shi, Huan-Ying; Zhang, Li-Ming


    Grafting of poly(N-vinylcaprolactam) side chains onto a hydrophilic dextran backbone was found to provide the dextran with new, thermoresponsive properties in aqueous solutions. Depending on its solution concentration, the resulting dextran derivative could exhibit a temperature-induced phase-transition and critical transition temperature (T(c)). Different anions and cations of added salts, including five potassium salts and five alkali-metal chlorides, were observed to influence the T(c) value of its aqueous solution. Except for potassium iodide, all added salts were found to lower the T(c) value. The addition of the surfactant, cationic cetyltrimethylammonium bromide or anionic sodium dodecyl sulfate, resulted in an increase of the T(c) value. With the help of the Coomassie Brilliant Blue dye as a polarity probe, the formation of hydrophobic aggregates above the T(c) was revealed for this new dextran derivative in aqueous solution.

  3. The automation of routine light transmission platelet aggregation (United States)

    Lawrie, A S; Kobayashi, K; Lane, P J; Mackie, I J; Machin, S J


    Introduction The investigation of platelet function by aggregometry requires specialist equipment and is labour intensive. We have developed an automated platelet aggregation method on a routine coagulation analyser. Methods We used a CS-2000i (Sysmex) with prototype software to perform aggregation in platelet-rich plasma (PRP), using the following agonists: ADP (0.5–10 μm), epinephrine (0.5–10 μm), collagen (0.5–10 mg/μL), ristocetin (0.75–1.25 mg/mL) and arachidonic acid (0.12–1.0 mm). Platelet agonists were from Hyphen Biomed, and an AggRAM aggregometer (Helena Biosciences) was used as the reference instrument. Results CS-2000i reaction cuvette stirrer speed was found to influence reaction sensitivity and was optimized to 800 rpm. There were no clinically significant changes in aggregation response when the PRP platelet count was 150–480 x 109/L, but below this there were changes in the maximum amplitude (MA) and slope (rate). Dose response with each of the agonists was comparable between CS-2000i and an AggRAM aggregometer and normal subjects receiving antiplatelet drugs. Aggregation imprecision was similar on both the CS-2000i and AggRAM systems, with a cv for 2–5 μm ADP MA and slope varying between 3–12%. Conclusion Our preliminary studies indicated that optimal sensitivity using the CS-2000i was obtained with a reaction cuvette stirrer speed of 800 rpm and a PRP platelet count of 200–300 x 109/L; aggregation with a PRP count <100 x 109/L showed poor sensitivity. Imprecision and detection of antiplatelet drug effects was similar between the CS-2000i and AggRAM. These data demonstrate that CS-2000i is comparable to a stand-alone aggregometer, although CS-2000i has the advantages of walk-away technology and also required a smaller sample volume than the AggRAM (44% less). PMID:24237750

  4. Spectroscopic properties of alkali atoms embedded in Ar matrix. (United States)

    Jacquet, E; Zanuttini, D; Douady, J; Giglio, E; Gervais, B


    We present a theoretical investigation of visible absorption and related luminescence of alkali atoms (Li, Na, and K) embedded in Ar matrix. We used a model based on core polarization pseudopotentials, which allows us to determine accurately the gas-to-matrix shifts of various trapping sites. The remarkable agreement between our calculated results and the experimental spectra recorded by several authors allows us to establish a clear assignment of the observed spectra, which are made of contributions from crystalline sites on the one hand, and of grain boundary sites on the other hand. Our study reveals remarkably large Stokes shifts, up to 9000 cm(-1), which could be observed experimentally to identify definitely the trapping sites.

  5. The Effect of Radiation "Memory" in Alkali-Halide Crystals (United States)

    Korovkin, M. V.; Sal'nikov, V. N.


    The exposure of the alkali-halide crystals to ionizing radiation leads to the destruction of their structure, the emergence of radiation defects, and the formation of the electron and hole color centers. Destruction of the color centers upon heating is accompanied by the crystal bleaching, luminescence, and radio-frequency electromagnetic emission (REME). After complete thermal bleaching of the crystal, radiation defects are not completely annealed, as the electrons and holes released from the color centers by heating leave charged and locally uncompensated defects. Clusters of these "pre centers" lead to electric microheterogeneity of the crystal, the formation of a quasi-electret state, and the emergence of micro-discharges accompanied by radio emission. The generation of REME associated with residual defectiveness, is a manifestation of the effect of radiation "memory" in dielectrics.

  6. Electrochemical synthesis of alkali-intercalated iron selenide superconductors (United States)

    Shen, Shi-Jie; Ying, Tian-Ping; Wang, Gang; Jin, Shi-Feng; Zhang, Han; Lin, Zhi-Ping; Chen, Xiao-Long


    Electrochemical method has been used to insert K/Na into FeSe lattice to prepare alkali-intercalated iron selenides at room temperature. Magnetization measurement reveals that KxFe2Se2 and NaxFe2Se2 are superconductive at 31 K and 46 K, respectively. This is the first successful report of obtaining metal-intercalated FeSe-based high-temperature superconductors using electrochemical method. It provides an effective route to synthesize metal-intercalated layered compounds for new superconductor exploration. Project supported by the National Natural Science Foundation of China (Grant Nos. 51322211and 91422303), the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (Grant No. XDB07020100), Beijing Nova Program of China (Grant No. 2011096), and K. C. Wong Education Foundation, Hong Kong, China.

  7. Structure and energetics of helium films on alkali substrates (United States)

    Boninsegni, Massimo; Szybisz, Leszek


    Low-temperature adsorption of He4 films on Alkali metal substrates is investigated theoretically by means of ground-state quantum Monte Carlo simulations. The most accurate potentials currently available are utilized to model the interaction of He4 atoms with the substrate. Continuous growth of film thickness as a function of chemical potential is observed on Li, Na, and K substrates. A superfluid monolayer forms on a Li substrate; on Na and K, thermodynamically stable films are a few layers thick. The uncertainties of the calculation and in the potentials, preclude a definitive conclusion on the existence of a stable He4 film on Rb. A comparison of the results of this calculation with those obtained using the Orsay-Trento density functional shows broad quantitative agreement.


    Institute of Scientific and Technical Information of China (English)



    We propose a dark gravito-optical dipole trap, for alkali atoms, consisting of a blue-detuned, pyramidal-hollow laser beam propagating upward and the gravity field. When cold atoms from a magneto-optical trap are loaded into the pyramidal-hollow beam and bounce inside the pyramidal-hollow beam, they experience efficient Sisyphus cooling and geometric cooling induced by the pyramidal-hollow beam and the weak repumping beam propagating downward. Our study shows that an ultracold and dense atomic sample with an equilibrium 3D momentum of ~ 3hk and an atomic density above the point of Bose-Einstein condensation may be obtained in this pure optical trap.

  9. Reclamation and Management of Saline and Alkali Soils

    DEFF Research Database (Denmark)

    Singh, Anoop; Katiyar, D.; Agrawal, S.B.


    Soil is the most precious natural resource and thus requires proper management. Estimates show that the world as a whole is losing at least 3.0 ha of arable land every minute due to salinization or sodification. In India about 7.0 M ha land is affected by salinity and alkalinity. The problem...... to combat with the problem. The present review is an attempt to emphasize the problem of salinity and alkalinity of soils, its effect on plants and application of physical, chemical and biological methods of soil reclamation along with management issues...... of saline and alkali soils is old but its magnitude and intensity have been increasing because of poor land and water management practices. The proper land management by way of its reclamation involves physical, chemical and biological means, which are site specific and their integration is highly desirable...

  10. Effect of Cross Linking Agent on Alkali/Surfactant/Polymer

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Ke; LU,Xiang-Guo


    Alkali/surfactant/polymer (ASP) multisystem flooding technique, which has an expansive application prospect,is one of the enhancing oil recovery (EOR) methods. By adding the organic chromium to the ASP, the molecular structure of polymer was made to change, and the capability of controlling mobility coefficient of ASP was improved. The results showed that multisystem could still keep ultra-low interfacial tension between the multisystem and crude oil after addition of Cr3+. The resistance factor and residual resistance factor, the indicator which describes the capability of controlling mobility, upgraded strikingly. However its storage modulus and loss modulus,the indicator which describes viscoelasticity, increased. The results of physical simulation experiment indicated that this type of improved ASP could increase the recovery ratio by 4.3% compared to common ASP multisystem.

  11. 3718-F Alkali Metal Treatment and Storage Facility Closure Plan

    Energy Technology Data Exchange (ETDEWEB)



    Since 1987, Westinghouse Hanford Company has been a major contractor to the U.S. Department of Energy-Richland Operations Office and has served as co-operator of the 3718-F Alkali Metal Treatment and Storage Facility, the waste management unit addressed in this closure plan. The closure plan consists of a Part A Dangerous waste Permit Application and a RCRA Closure Plan. An explanation of the Part A Revision (Revision 1) submitted with this document is provided at the beginning of the Part A section. The closure plan consists of 9 chapters and 5 appendices. The chapters cover: introduction; facility description; process information; waste characteristics; groundwater; closure strategy and performance standards; closure activities; postclosure; and references.

  12. Experimental study of the diode pumped alkali laser (DPAL) (United States)

    Endo, Masamori; Nagaoka, Ryuji; Nagaoka, Hiroki; Nagai, Toru; Wani, Fumio


    A small-scale cesium diode-pumped alkali laser (DPAL) apparatus has been developed for fundamental researches. A commercial laser diode with volume Bragg grating outcoupler is used to pump the gain cell longitudinally. Both windows of the gain cell are set at Brewster's angle for minimum loss and maximum durability. Output coupling coefficient is continuously variable from 13% to 85% by the slanted quartz plate outcoupler inserted in the optical resonator. Small signal gain is measured with a laser diode probe at various gain cell temperatures. A 6.5 W continuouswave output with 56% optical-to-optical conversion efficiency (based on the absorbed power) has been achieved. A numerical simulation code is developed and its calculation results are in good agreement with the experiments.

  13. Strong Turbulence in Alkali Halide Negative Ion Plasmas (United States)

    Sheehan, Daniel


    Negative ion plasmas (NIPs) are charge-neutral plasmas in which the negative charge is dominated by negative ions rather than electrons. They are found in laser discharges, combustion products, semiconductor manufacturing processes, stellar atmospheres, pulsar magnetospheres, and the Earth's ionosphere, both naturally and man-made. They often display signatures of strong turbulence^1. Development of a novel, compact, unmagnetized alkali halide (MX) NIP source will be discussed, it incorporating a ohmically-heated incandescent (2500K) tantulum solenoid (3cm dia, 15 cm long) with heat shields. The solenoid ionizes the MX vapor and confines contaminant electrons, allowing a very dry (electron-free) source. Plasma densities of 10^10 cm-3 and positive to negative ion mass ratios of 1 Fusion 4, 91 (1978).

  14. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite for methanol synthesis (United States)

    Tierney, John W.; Wender, Irving; Palekar, Vishwesh M.


    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  15. Size distributions and geometries of alkali halide nanoclusters probed using ESI FT-ICR mass spectrometry and quantum chemistry (United States)

    Lemke, K.; Sadjadi, S.; Seward, T.


    The structures and energetic properties of ionic alkali metal halide clusters play a significant role in our understanding of aqueous geochemical processes such as salt dissolution, precipitation and neutralization reactions. Mass spectrometric and quantum chemical studies of such systems offer new opportunities to study the size-dependent evolution of cluster structures, the occurrence of magic number species as well as their fundamental properties. The work here presents new results for the stability, abundance and structure of pure [Na(NaClm)]+ , [K(KCl)m]+ and mixed [Na(NaCl)p(KCl)q]+ metal halide clusters with mQB3 and G4 methods and comment on the onset of the doubly charged cluster series. FT-ICR mass spectra for [Na(NaCl)n]+ clusters generated from 1mM NaCl in 20%H2O 80% acetonitrile in positive ion mode.

  16. Development of processes for the production of solar grade silicon from halides and alkali metals, phase 1 and phase 2 (United States)

    Dickson, C. R.; Gould, R. K.; Felder, W.


    High temperature reactions of silicon halides with alkali metals for the production of solar grade silicon are described. Product separation and collection processes were evaluated, measure heat release parameters for scaling purposes and effects of reactants and/or products on materials of reactor construction were determined, and preliminary engineering and economic analysis of a scaled up process were made. The feasibility of the basic process to make and collect silicon was demonstrated. The jet impaction/separation process was demonstrated to be a purification process. The rate at which gas phase species from silicon particle precursors, the time required for silane decomposition to produce particles, and the competing rate of growth of silicon seed particles injected into a decomposing silane environment were determined. The extent of silane decomposition as a function of residence time, temperature, and pressure was measured by infrared absorption spectroscopy. A simplistic model is presented to explain the growth of silicon in a decomposing silane enviroment.

  17. Role of multicellular aggregates in biofilm formation

    DEFF Research Database (Denmark)

    Kragh, Kasper N.; Hutchison, Jaime B.; Melaugh, Gavin


    In traditional models of in vitro biofilm development, individual bacterial cells seed a surface, multiply, and mature into multicellular, three-dimensional structures. Much research has been devoted to elucidating the mechanisms governing the initial attachment of single cells to surfaces. However......, in natural environments and during infection, bacterial cells tend to clump as multicellular aggregates, and biofilms can also slough off aggregates as a part of the dispersal process. This makes it likely that biofilms are often seeded by aggregates and single cells, yet how these aggregates impact biofilm...... initiation and development is not known. Here we use a combination of experimental and computational approaches to determine the relative fitness of single cells and preformed aggregates during early development of Pseudomonas aeruginosa biofilms. We find that the relative fitness of aggregates depends...

  18. A vertically resolved model for phytoplankton aggregation

    Indian Academy of Sciences (India)

    Iris Kriest; Geoffrey T Evans


    This work presents models of the vertical distribution and flux of phytoplankton aggregates, including changes with time in the distribution of aggregate sizes and sinking speeds. The distribution of sizes is described by two parameters, the mass and number of aggregates, which greatly reduces the computational cost of the models. Simple experiments demonstrate the effects of aggregation on the timing and depth distribution of primary production and export. A more detailed ecological model is applied to sites in the Arabian Sea; it demonstrates that aggregation can be important for deep sedimentation even when its effect on surface concentrations is small, and it presents the difference in timing between settlement of aggregates and fecal pellets.

  19. Radioluminescence of synthetic quartz related to alkali ions

    Energy Technology Data Exchange (ETDEWEB)

    Martini, M., E-mail: [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); INFN-Sezione di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Fasoli, M. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Galli, A. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Istituto di Fotonica e Nanostrutture, IFN-CNR (Italy); Villa, I. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Guibert, P. [IRAMAT-CRP2A (Institut de recherche sur les Archeomateriaux), UMR no. 5060, CNRS-Universite Bordeaux III, F-33607 Pessac (France)


    The radioluminescence (RL) of synthetic quartzes (GEMMA Quartz and Crystal Company) has been measured at room temperature. Some samples were treated by electrodiffusion ('sweeping') in order to change the concentrations of alkali ions, mainly Li{sup +} and Na{sup +}, which in quartz are known to be linked to Al ions, substitutional for Si ions. The RL emission spectra show evidence of a role of alkali ions in affecting some specific emissions. All the spectra could be analysed as composed of four bands in the blue and UV region. Specifically, the well known blue emission at around 470 nm was seen to be composed by two bands at 430 nm (2.86 eV) and at 485 nm (2.53 eV). Effects of irradiation, during the RL measurements, were clearly seen only in the 'Li swept in' sample, namely an increase in the 485 nm band intensity and a decrease in the 430 nm band one. The previously reported UV emission was detected at 355 nm (3.44 eV) in all the samples, being the most intense band in the 'swept out' sample. A further UV emission was detected at 315 nm (3.94 eV), more intense in untreated samples. Possible assignments of the detected emission bands are discussed in relation to the defects of quartz, specifically focusing on the Al centres that are most affected by sweeping procedures. - Highlights: Black-Right-Pointing-Pointer Contribution to the understanding of relationships between defects in quartz and luminescence emissions. Black-Right-Pointing-Pointer Role of charge compensators at substitutional Al sites in the optical properties of quartz. Black-Right-Pointing-Pointer Evidence of the double nature of the 'blue emission' (around 470 nm).

  20. The Structure and Thermodynamics of Alkali Halide Vapors. (United States)

    Hartley, John George

    A comprehensive set of electron diffraction experiments were performed on 16 of the alkali halides in the vapor phase. A 40kev electron beam was scattered from the vapor effusing out of the nozzle of a temperature controlled gas cell. The resulting data were analyzed at the University of Edinburgh with the program ED80. This resulted in values for the bond lengths of monomers and the dimers, the bond angle of the dimers and the monomer-dimer ratios. In several cases, it was possible to further refine the data to obtain information on the mean amplitudes of vibration. As a check on the accuracy of the results, the monomer bond distances obtained by electron diffraction were compared to values obtained previously by microwave spectroscopy. The average monomer bond length r_{a} is corrected to obtain the equilibrium bond distance r_{e}. This value is then compared to the value of r_{e } obtained from microwave spectroscopy and found to be in excellent agreement. The bond lengths and angles of the dimers were compared against model calculations. While no one model was found to accurately predict the dimer structure parameters of all of the alkali halides, the Rittner model of Gowda et al was found to accurately predict the structure of six of the dimers. Thermodynamical calculations were performed on the model data which resulted in theoretical curves of the monomer-dimer ratios. Comparison of these curves with the experimental monomer-dimer ratio permits an evaluation of the model vibration frequencies. The enthalpy of formation of the dimer, Delta H_sp{2}{f}(298) is examined with regard to the size of the variation necessary to bring about agreement of the experimental and model monomer-dimer ratios.